Daily Papers

Balancing content fidelity and artistic style is a pivotal challenge in image generation. While traditional style transfer methods and modern Denoising Diffusion Probabilistic Models (DDPMs) strive to achieve this balance, they often struggle to do so without sacrificing either style, content, or sometimes both. This work addresses this challenge by analyzing the ability of DDPMs to maintain content and style equilibrium. We introduce a novel method to identify sensitivities within the DDPM attention layers, identifying specific layers that correspond to different stylistic aspects. By directing conditional inputs only to these sensitive layers, our approach enables fine-grained control over style and content, significantly reducing issues arising from over-constrained inputs. Our findings demonstrate that this method enhances recent stylization techniques by better aligning style and content, ultimately improving the quality of generated visual content.

We present a novel alignment-before-generation approach to tackle the challenging task of generating general 3D shapes based on 2D images or texts. Directly learning a conditional generative model from images or texts to 3D shapes is prone to producing inconsistent results with the conditions because 3D shapes have an additional dimension whose distribution significantly differs from that of 2D images and texts. To bridge the domain gap among the three modalities and facilitate multi-modal-conditioned 3D shape generation, we explore representing 3D shapes in a shape-image-text-aligned space. Our framework comprises two models: a Shape-Image-Text-Aligned Variational Auto-Encoder (SITA-VAE) and a conditional Aligned Shape Latent Diffusion Model (ASLDM). The former model encodes the 3D shapes into the shape latent space aligned to the image and text and reconstructs the fine-grained 3D neural fields corresponding to given shape embeddings via the transformer-based decoder. The latter model learns a probabilistic mapping function from the image or text space to the latent shape space. Our extensive experiments demonstrate that our proposed approach can generate higher-quality and more diverse 3D shapes that better semantically conform to the visual or textural conditional inputs, validating the effectiveness of the shape-image-text-aligned space for cross-modality 3D shape generation.

Conditional diffusion models have shown remarkable performance in various generative tasks, but training them requires large-scale datasets that often contain noise in conditional inputs, a.k.a. noisy labels. This noise leads to condition mismatch and quality degradation of generated data. This paper proposes Transition-aware weighted Denoising Score Matching (TDSM) for training conditional diffusion models with noisy labels, which is the first study in the line of diffusion models. The TDSM objective contains a weighted sum of score networks, incorporating instance-wise and time-dependent label transition probabilities. We introduce a transition-aware weight estimator, which leverages a time-dependent noisy-label classifier distinctively customized to the diffusion process. Through experiments across various datasets and noisy label settings, TDSM improves the quality of generated samples aligned with given conditions. Furthermore, our method improves generation performance even on prevalent benchmark datasets, which implies the potential noisy labels and their risk of generative model learning. Finally, we show the improved performance of TDSM on top of conventional noisy label corrections, which empirically proving its contribution as a part of label-noise robust generative models. Our code is available at: https://github.com/byeonghu-na/tdsm.

Text-driven human motion generation is a multimodal task that synthesizes human motion sequences conditioned on natural language. It requires the model to satisfy textual descriptions under varying conditional inputs, while generating plausible and realistic human actions with high diversity. Existing diffusion model-based approaches have outstanding performance in the diversity and multimodality of generation. However, compared to autoregressive methods that train motion encoders before inference, diffusion methods lack in fitting the distribution of human motion features which leads to an unsatisfactory FID score. One insight is that the diffusion model lack the ability to learn the motion relations among spatio-temporal semantics through contextual reasoning. To solve this issue, in this paper, we proposed Motion Masked Diffusion Model (MMDM), a novel human motion masked mechanism for diffusion model to explicitly enhance its ability to learn the spatio-temporal relationships from contextual joints among motion sequences. Besides, considering the complexity of human motion data with dynamic temporal characteristics and spatial structure, we designed two mask modeling strategies: time frames mask and body parts mask. During training, MMDM masks certain tokens in the motion embedding space. Then, the diffusion decoder is designed to learn the whole motion sequence from masked embedding in each sampling step, this allows the model to recover a complete sequence from incomplete representations. Experiments on HumanML3D and KIT-ML dataset demonstrate that our mask strategy is effective by balancing motion quality and text-motion consistency.

Hair editing is an interesting and challenging problem in computer vision and graphics. Many existing methods require well-drawn sketches or masks as conditional inputs for editing, however these interactions are neither straightforward nor efficient. In order to free users from the tedious interaction process, this paper proposes a new hair editing interaction mode, which enables manipulating hair attributes individually or jointly based on the texts or reference images provided by users. For this purpose, we encode the image and text conditions in a shared embedding space and propose a unified hair editing framework by leveraging the powerful image text representation capability of the Contrastive Language-Image Pre-Training (CLIP) model. With the carefully designed network structures and loss functions, our framework can perform high-quality hair editing in a disentangled manner. Extensive experiments demonstrate the superiority of our approach in terms of manipulation accuracy, visual realism of editing results, and irrelevant attribute preservation. Project repo is https://github.com/wty-ustc/HairCLIP.

Current diffusion-based image restoration methods feed degraded input images as conditions into the noise estimation network. However, interpreting this diffusion process is challenging since it essentially generates the target image from the noise. To establish a unified and more interpretable model for image generation and restoration, we propose residual denoising diffusion models (RDDM). In contrast to existing diffusion models (e.g., DDPM or DDIM) that focus solely on noise estimation, our RDDM predicts residuals to represent directional diffusion from the target domain to the input domain, while concurrently estimating noise to account for random perturbations in the diffusion process. The introduction of residuals allows us to redefine the forward diffusion process, wherein the target image progressively diffuses into a purely noisy image or a noise-carrying input image, thus unifying image generation and restoration. We demonstrate that our sampling process is consistent with that of DDPM and DDIM through coefficient transformation, and propose a partially path-independent generation process to better understand the reverse process. Notably, with native support for conditional inputs, our RDDM enables a generic UNet, trained with only an ell _1 loss and a batch size of 1, to compete with state-of-the-art image restoration methods. We provide code and pre-trained models to encourage further exploration, application, and development of our innovative framework (https://github.com/nachifur/RDDM).

Although learning-based image restoration methods have made significant progress, they still struggle with limited generalization to real-world scenarios due to the substantial domain gap caused by training on synthetic data. Existing methods address this issue by improving data synthesis pipelines, estimating degradation kernels, employing deep internal learning, and performing domain adaptation and regularization. Previous domain adaptation methods have sought to bridge the domain gap by learning domain-invariant knowledge in either feature or pixel space. However, these techniques often struggle to extend to low-level vision tasks within a stable and compact framework. In this paper, we show that it is possible to perform domain adaptation via the noise space using diffusion models. In particular, by leveraging the unique property of how auxiliary conditional inputs influence the multi-step denoising process, we derive a meaningful diffusion loss that guides the restoration model in progressively aligning both restored synthetic and real-world outputs with a target clean distribution. We refer to this method as denoising as adaptation. To prevent shortcuts during joint training, we present crucial strategies such as channel-shuffling layer and residual-swapping contrastive learning in the diffusion model. They implicitly blur the boundaries between conditioned synthetic and real data and prevent the reliance of the model on easily distinguishable features. Experimental results on three classical image restoration tasks, namely denoising, deblurring, and deraining, demonstrate the effectiveness of the proposed method.

The multifaceted nature of human perception and comprehension indicates that, when we think, our body can naturally take any combination of senses, a.k.a., modalities and form a beautiful picture in our brain. For example, when we see a cattery and simultaneously perceive the cat's purring sound, our brain can construct a picture of a cat in the cattery. Intuitively, generative AI models should hold the versatility of humans and be capable of generating images from any combination of modalities efficiently and collaboratively. This paper presents ImgAny, a novel end-to-end multi-modal generative model that can mimic human reasoning and generate high-quality images. Our method serves as the first attempt in its capacity of efficiently and flexibly taking any combination of seven modalities, ranging from language, audio to vision modalities, including image, point cloud, thermal, depth, and event data. Our key idea is inspired by human-level cognitive processes and involves the integration and harmonization of multiple input modalities at both the entity and attribute levels without specific tuning across modalities. Accordingly, our method brings two novel training-free technical branches: 1) Entity Fusion Branch ensures the coherence between inputs and outputs. It extracts entity features from the multi-modal representations powered by our specially constructed entity knowledge graph; 2) Attribute Fusion Branch adeptly preserves and processes the attributes. It efficiently amalgamates distinct attributes from diverse input modalities via our proposed attribute knowledge graph. Lastly, the entity and attribute features are adaptively fused as the conditional inputs to the pre-trained Stable Diffusion model for image generation. Extensive experiments under diverse modality combinations demonstrate its exceptional capability for visual content creation.

Recent character image animation methods based on diffusion models, such as Animate Anyone, have made significant progress in generating consistent and generalizable character animations. However, these approaches fail to produce reasonable associations between characters and their environments. To address this limitation, we introduce Animate Anyone 2, aiming to animate characters with environment affordance. Beyond extracting motion signals from source video, we additionally capture environmental representations as conditional inputs. The environment is formulated as the region with the exclusion of characters and our model generates characters to populate these regions while maintaining coherence with the environmental context. We propose a shape-agnostic mask strategy that more effectively characterizes the relationship between character and environment. Furthermore, to enhance the fidelity of object interactions, we leverage an object guider to extract features of interacting objects and employ spatial blending for feature injection. We also introduce a pose modulation strategy that enables the model to handle more diverse motion patterns. Experimental results demonstrate the superior performance of the proposed method.

Accurate and high-fidelity driving scene reconstruction demands the effective utilization of comprehensive scene information as conditional inputs. Existing methods predominantly rely on 3D bounding boxes and BEV road maps for foreground and background control, which fail to capture the full complexity of driving scenes and adequately integrate multimodal information. In this work, we present DualDiff, a dual-branch conditional diffusion model designed to enhance driving scene generation across multiple views and video sequences. Specifically, we introduce Occupancy Ray-shape Sampling (ORS) as a conditional input, offering rich foreground and background semantics alongside 3D spatial geometry to precisely control the generation of both elements. To improve the synthesis of fine-grained foreground objects, particularly complex and distant ones, we propose a Foreground-Aware Mask (FGM) denoising loss function. Additionally, we develop the Semantic Fusion Attention (SFA) mechanism to dynamically prioritize relevant information and suppress noise, enabling more effective multimodal fusion. Finally, to ensure high-quality image-to-video generation, we introduce the Reward-Guided Diffusion (RGD) framework, which maintains global consistency and semantic coherence in generated videos. Extensive experiments demonstrate that DualDiff achieves state-of-the-art (SOTA) performance across multiple datasets. On the NuScenes dataset, DualDiff reduces the FID score by 4.09% compared to the best baseline. In downstream tasks, such as BEV segmentation, our method improves vehicle mIoU by 4.50% and road mIoU by 1.70%, while in BEV 3D object detection, the foreground mAP increases by 1.46%. Code will be made available at https://github.com/yangzhaojason/DualDiff.

Recent advances in latent diffusion-based generative models for portrait image animation, such as Hallo, have achieved impressive results in short-duration video synthesis. In this paper, we present updates to Hallo, introducing several design enhancements to extend its capabilities. First, we extend the method to produce long-duration videos. To address substantial challenges such as appearance drift and temporal artifacts, we investigate augmentation strategies within the image space of conditional motion frames. Specifically, we introduce a patch-drop technique augmented with Gaussian noise to enhance visual consistency and temporal coherence over long duration. Second, we achieve 4K resolution portrait video generation. To accomplish this, we implement vector quantization of latent codes and apply temporal alignment techniques to maintain coherence across the temporal dimension. By integrating a high-quality decoder, we realize visual synthesis at 4K resolution. Third, we incorporate adjustable semantic textual labels for portrait expressions as conditional inputs. This extends beyond traditional audio cues to improve controllability and increase the diversity of the generated content. To the best of our knowledge, Hallo2, proposed in this paper, is the first method to achieve 4K resolution and generate hour-long, audio-driven portrait image animations enhanced with textual prompts. We have conducted extensive experiments to evaluate our method on publicly available datasets, including HDTF, CelebV, and our introduced "Wild" dataset. The experimental results demonstrate that our approach achieves state-of-the-art performance in long-duration portrait video animation, successfully generating rich and controllable content at 4K resolution for duration extending up to tens of minutes. Project page https://fudan-generative-vision.github.io/hallo2

Generating sound effects for videos often requires creating artistic sound effects that diverge significantly from real-life sources and flexible control in the sound design. To address this problem, we introduce MultiFoley, a model designed for video-guided sound generation that supports multimodal conditioning through text, audio, and video. Given a silent video and a text prompt, MultiFoley allows users to create clean sounds (e.g., skateboard wheels spinning without wind noise) or more whimsical sounds (e.g., making a lion's roar sound like a cat's meow). MultiFoley also allows users to choose reference audio from sound effects (SFX) libraries or partial videos for conditioning. A key novelty of our model lies in its joint training on both internet video datasets with low-quality audio and professional SFX recordings, enabling high-quality, full-bandwidth (48kHz) audio generation. Through automated evaluations and human studies, we demonstrate that MultiFoley successfully generates synchronized high-quality sounds across varied conditional inputs and outperforms existing methods. Please see our project page for video results: https://ificl.github.io/MultiFoley/

Non-autoregressive text to speech (TTS) models such as FastSpeech can synthesize speech significantly faster than previous autoregressive models with comparable quality. The training of FastSpeech model relies on an autoregressive teacher model for duration prediction (to provide more information as input) and knowledge distillation (to simplify the data distribution in output), which can ease the one-to-many mapping problem (i.e., multiple speech variations correspond to the same text) in TTS. However, FastSpeech has several disadvantages: 1) the teacher-student distillation pipeline is complicated and time-consuming, 2) the duration extracted from the teacher model is not accurate enough, and the target mel-spectrograms distilled from teacher model suffer from information loss due to data simplification, both of which limit the voice quality. In this paper, we propose FastSpeech 2, which addresses the issues in FastSpeech and better solves the one-to-many mapping problem in TTS by 1) directly training the model with ground-truth target instead of the simplified output from teacher, and 2) introducing more variation information of speech (e.g., pitch, energy and more accurate duration) as conditional inputs. Specifically, we extract duration, pitch and energy from speech waveform and directly take them as conditional inputs in training and use predicted values in inference. We further design FastSpeech 2s, which is the first attempt to directly generate speech waveform from text in parallel, enjoying the benefit of fully end-to-end inference. Experimental results show that 1) FastSpeech 2 achieves a 3x training speed-up over FastSpeech, and FastSpeech 2s enjoys even faster inference speed; 2) FastSpeech 2 and 2s outperform FastSpeech in voice quality, and FastSpeech 2 can even surpass autoregressive models. Audio samples are available at https://speechresearch.github.io/fastspeech2/.

3D-consistent image generation from a single 2D semantic label is an important and challenging research topic in computer graphics and computer vision. Although some related works have made great progress in this field, most of the existing methods suffer from poor disentanglement performance of shape and appearance, and lack multi-modal control. In this paper, we propose a novel end-to-end 3D-aware image generation and editing model incorporating multiple types of conditional inputs, including pure noise, text and reference image. On the one hand, we dive into the latent space of 3D Generative Adversarial Networks (GANs) and propose a novel disentanglement strategy to separate appearance features from shape features during the generation process. On the other hand, we propose a unified framework for flexible image generation and editing tasks with multi-modal conditions. Our method can generate diverse images with distinct noises, edit the attribute through a text description and conduct style transfer by giving a reference RGB image. Extensive experiments demonstrate that the proposed method outperforms alternative approaches both qualitatively and quantitatively on image generation and editing.

In this paper, we propose a vocoder based on a pair of forward and reverse-time linear stochastic differential equations (SDE). The solutions of this SDE pair are two stochastic processes, one of which turns the distribution of wave, that we want to generate, into a simple and tractable distribution. The other is the generation procedure that turns this tractable simple signal into the target wave. The model is called It\^oWave. It\^oWave use the Wiener process as a driver to gradually subtract the excess signal from the noise signal to generate realistic corresponding meaningful audio respectively, under the conditional inputs of original mel spectrogram. The results of the experiment show that the mean opinion scores (MOS) of It\^oWave can exceed the current state-of-the-art (SOTA) methods, and reached 4.35pm0.115. The generated audio samples are available online.

Non-autoregressive text-to-speech (NAR-TTS) models such as FastSpeech 2 and Glow-TTS can synthesize high-quality speech from the given text in parallel. After analyzing two kinds of generative NAR-TTS models (VAE and normalizing flow), we find that: VAE is good at capturing the long-range semantics features (e.g., prosody) even with small model size but suffers from blurry and unnatural results; and normalizing flow is good at reconstructing the frequency bin-wise details but performs poorly when the number of model parameters is limited. Inspired by these observations, to generate diverse speech with natural details and rich prosody using a lightweight architecture, we propose PortaSpeech, a portable and high-quality generative text-to-speech model. Specifically, 1) to model both the prosody and mel-spectrogram details accurately, we adopt a lightweight VAE with an enhanced prior followed by a flow-based post-net with strong conditional inputs as the main architecture. 2) To further compress the model size and memory footprint, we introduce the grouped parameter sharing mechanism to the affine coupling layers in the post-net. 3) To improve the expressiveness of synthesized speech and reduce the dependency on accurate fine-grained alignment between text and speech, we propose a linguistic encoder with mixture alignment combining hard inter-word alignment and soft intra-word alignment, which explicitly extracts word-level semantic information. Experimental results show that PortaSpeech outperforms other TTS models in both voice quality and prosody modeling in terms of subjective and objective evaluation metrics, and shows only a slight performance degradation when reducing the model parameters to 6.7M (about 4x model size and 3x runtime memory compression ratio compared with FastSpeech 2). Our extensive ablation studies demonstrate that each design in PortaSpeech is effective.

In this paper, we propose to unify the two aspects of voice synthesis, namely text-to-speech (TTS) and vocoder, into one framework based on a pair of forward and reverse-time linear stochastic differential equations (SDE). The solutions of this SDE pair are two stochastic processes, one of which turns the distribution of mel spectrogram (or wave), that we want to generate, into a simple and tractable distribution. The other is the generation procedure that turns this tractable simple signal into the target mel spectrogram (or wave). The model that generates mel spectrogram is called It\^oTTS, and the model that generates wave is called It\^oWave. It\^oTTS and It\^oWave use the Wiener process as a driver to gradually subtract the excess signal from the noise signal to generate realistic corresponding meaningful mel spectrogram and audio respectively, under the conditional inputs of original text or mel spectrogram. The results of the experiment show that the mean opinion scores (MOS) of It\^oTTS and It\^oWave can exceed the current state-of-the-art methods, and reached 3.925pm0.160 and 4.35pm0.115 respectively. The generated audio samples are available at https://wushoule.github.io/ItoAudio/. All authors contribute equally to this work.

In this work, we present DreamDance, a novel method for animating human images using only skeleton pose sequences as conditional inputs. Existing approaches struggle with generating coherent, high-quality content in an efficient and user-friendly manner. Concretely, baseline methods relying on only 2D pose guidance lack the cues of 3D information, leading to suboptimal results, while methods using 3D representation as guidance achieve higher quality but involve a cumbersome and time-intensive process. To address these limitations, DreamDance enriches 3D geometry cues from 2D poses by introducing an efficient diffusion model, enabling high-quality human image animation with various guidance. Our key insight is that human images naturally exhibit multiple levels of correlation, progressing from coarse skeleton poses to fine-grained geometry cues, and further from these geometry cues to explicit appearance details. Capturing such correlations could enrich the guidance signals, facilitating intra-frame coherency and inter-frame consistency. Specifically, we construct the TikTok-Dance5K dataset, comprising 5K high-quality dance videos with detailed frame annotations, including human pose, depth, and normal maps. Next, we introduce a Mutually Aligned Geometry Diffusion Model to generate fine-grained depth and normal maps for enriched guidance. Finally, a Cross-domain Controller incorporates multi-level guidance to animate human images effectively with a video diffusion model. Extensive experiments demonstrate that our method achieves state-of-the-art performance in animating human images.

Text-guided diffusion models have significantly advanced image editing, enabling high-quality and diverse modifications driven by text prompts. However, effective editing requires inverting the source image into a latent space, a process often hindered by prediction errors inherent in DDIM inversion. These errors accumulate during the diffusion process, resulting in inferior content preservation and edit fidelity, especially with conditional inputs. We address these challenges by investigating the primary contributors to error accumulation in DDIM inversion and identify the singularity problem in traditional noise schedules as a key issue. To resolve this, we introduce the Logistic Schedule, a novel noise schedule designed to eliminate singularities, improve inversion stability, and provide a better noise space for image editing. This schedule reduces noise prediction errors, enabling more faithful editing that preserves the original content of the source image. Our approach requires no additional retraining and is compatible with various existing editing methods. Experiments across eight editing tasks demonstrate the Logistic Schedule's superior performance in content preservation and edit fidelity compared to traditional noise schedules, highlighting its adaptability and effectiveness.

Conditional normalizing flows can generate diverse image samples for solving inverse problems. Most normalizing flows for inverse problems in imaging employ the conditional affine coupling layer that can generate diverse images quickly. However, unintended severe artifacts are occasionally observed in the output of them. In this work, we address this critical issue by investigating the origins of these artifacts and proposing the conditions to avoid them. First of all, we empirically and theoretically reveal that these problems are caused by "exploding inverse" in the conditional affine coupling layer for certain out-of-distribution (OOD) conditional inputs. Then, we further validated that the probability of causing erroneous artifacts in pixels is highly correlated with a Mahalanobis distance-based OOD score for inverse problems in imaging. Lastly, based on our investigations, we propose a remark to avoid exploding inverse and then based on it, we suggest a simple remedy that substitutes the affine coupling layers with the modified rational quadratic spline coupling layers in normalizing flows, to encourage the robustness of generated image samples. Our experimental results demonstrated that our suggested methods effectively suppressed critical artifacts occurring in normalizing flows for super-resolution space generation and low-light image enhancement.

We introduce OneDiffusion, a versatile, large-scale diffusion model that seamlessly supports bidirectional image synthesis and understanding across diverse tasks. It enables conditional generation from inputs such as text, depth, pose, layout, and semantic maps, while also handling tasks like image deblurring, upscaling, and reverse processes such as depth estimation and segmentation. Additionally, OneDiffusion allows for multi-view generation, camera pose estimation, and instant personalization using sequential image inputs. Our model takes a straightforward yet effective approach by treating all tasks as frame sequences with varying noise scales during training, allowing any frame to act as a conditioning image at inference time. Our unified training framework removes the need for specialized architectures, supports scalable multi-task training, and adapts smoothly to any resolution, enhancing both generalization and scalability. Experimental results demonstrate competitive performance across tasks in both generation and prediction such as text-to-image, multiview generation, ID preservation, depth estimation and camera pose estimation despite relatively small training dataset. Our code and checkpoint are freely available at https://github.com/lehduong/OneDiffusion

Capturing highly appreciated star field images is extremely challenging due to light pollution, the requirements of specialized hardware, and the high level of photographic skills needed. Deep learning-based techniques have achieved remarkable results in low-light image enhancement (LLIE) but have not been widely applied to star field image enhancement due to the lack of training data. To address this problem, we construct the first Star Field Image Enhancement Benchmark (SFIEB) that contains 355 real-shot and 854 semi-synthetic star field images, all having the corresponding reference images. Using the presented dataset, we propose the first star field image enhancement approach, namely StarDiffusion, based on conditional denoising diffusion probabilistic models (DDPM). We introduce dynamic stochastic corruptions to the inputs of conditional DDPM to improve the performance and generalization of the network on our small-scale dataset. Experiments show promising results of our method, which outperforms state-of-the-art low-light image enhancement algorithms. The dataset and codes will be open-sourced.

In recent years, diffusion models have gained popularity for their ability to generate higher-quality images in comparison to GAN models. However, like any other large generative models, these models require a huge amount of data, computational resources, and meticulous tuning for successful training. This poses a significant challenge, rendering it infeasible for most individuals. As a result, the research community has devised methods to leverage pre-trained unconditional diffusion models with additional guidance for the purpose of conditional image generative. These methods enable conditional image generations on diverse inputs and, most importantly, circumvent the need for training the diffusion model. In this paper, our objective is to reduce the time-required and computational overhead introduced by the addition of guidance in diffusion models -- while maintaining comparable image quality. We propose a set of methods based on our empirical analysis, demonstrating a reduction in computation time by approximately threefold.

Recent progress in controllable image generation and editing is largely driven by diffusion-based methods. Although diffusion models perform exceptionally well in specific tasks with tailored designs, establishing a unified model is still challenging. In contrast, autoregressive models inherently feature a unified tokenized representation, which simplifies the creation of a single foundational model for various tasks. In this work, we propose EditAR, a single unified autoregressive framework for a variety of conditional image generation tasks, e.g., image editing, depth-to-image, edge-to-image, segmentation-to-image. The model takes both images and instructions as inputs, and predicts the edited images tokens in a vanilla next-token paradigm. To enhance the text-to-image alignment, we further propose to distill the knowledge from foundation models into the autoregressive modeling process. We evaluate its effectiveness across diverse tasks on established benchmarks, showing competitive performance to various state-of-the-art task-specific methods. Project page: https://jitengmu.github.io/EditAR/

Many natural language processing tasks benefit from long inputs, but processing long documents with Transformers is expensive -- not only due to quadratic attention complexity but also from applying feedforward and projection layers to every token. However, not all tokens are equally important, especially for longer documents. We propose CoLT5, a long-input Transformer model that builds on this intuition by employing conditional computation, devoting more resources to important tokens in both feedforward and attention layers. We show that CoLT5 achieves stronger performance than LongT5 with much faster training and inference, achieving SOTA on the long-input SCROLLS benchmark. Moreover, CoLT5 can effectively and tractably make use of extremely long inputs, showing strong gains up to 64k input length.

Conditional 3D generation is undergoing a significant advancement, enabling the free creation of 3D content from inputs such as text or 2D images. However, previous approaches have suffered from low inference efficiency, limited generation categories, and restricted downstream applications. In this work, we revisit the impact of different 3D representations on generation quality and efficiency. We propose a progressive generation method through Voxel-Point Progressive Representation (VPP). VPP leverages structured voxel representation in the proposed Voxel Semantic Generator and the sparsity of unstructured point representation in the Point Upsampler, enabling efficient generation of multi-category objects. VPP can generate high-quality 8K point clouds within 0.2 seconds. Additionally, the masked generation Transformer allows for various 3D downstream tasks, such as generation, editing, completion, and pre-training. Extensive experiments demonstrate that VPP efficiently generates high-fidelity and diverse 3D shapes across different categories, while also exhibiting excellent representation transfer performance. Codes will be released at https://github.com/qizekun/VPP.

The computational cost of transformer models makes them inefficient in low-latency or low-power applications. While techniques such as quantization or linear attention can reduce the computational load, they may incur a reduction in accuracy. In addition, globally reducing the cost for all inputs may be sub-optimal. We observe that for each layer, the full width of the layer may be needed only for a small subset of tokens inside a batch and that the "effective" width needed to process a token can vary from layer to layer. Motivated by this observation, we introduce the Adaptive Computation Module (ACM), a generic module that dynamically adapts its computational load to match the estimated difficulty of the input on a per-token basis. An ACM consists of a sequence of learners that progressively refine the output of their preceding counterparts. An additional gating mechanism determines the optimal number of learners to execute for each token. We also describe a distillation technique to replace any pre-trained model with an "ACMized" variant. The distillation phase is designed to be highly parallelizable across layers while being simple to plug-and-play into existing networks. Our evaluation of transformer models in computer vision and speech recognition demonstrates that substituting layers with ACMs significantly reduces inference costs without degrading the downstream accuracy for a wide interval of user-defined budgets.

Recently, 3D generative models have made impressive progress, enabling the generation of almost arbitrary 3D assets from text or image inputs. However, these approaches generate objects in isolation without any consideration for the scene where they will eventually be placed. In this paper, we propose a framework that allows for the stylization of an existing 3D asset to fit into a given 2D scene, and additionally produce a photorealistic composition as if the asset was placed within the environment. This not only opens up a new level of control for object stylization, for example, the same assets can be stylized to reflect changes in the environment, such as summer to winter or fantasy versus futuristic settings-but also makes the object-scene composition more controllable. We achieve this by combining modeling and optimizing the object's texture and environmental lighting through differentiable ray tracing with image priors from pre-trained text-to-image diffusion models. We demonstrate that our method is applicable to a wide variety of indoor and outdoor scenes and arbitrary objects.

Dynamic feature selection, where we sequentially query features to make accurate predictions with a minimal budget, is a promising paradigm to reduce feature acquisition costs and provide transparency into a model's predictions. The problem is challenging, however, as it requires both predicting with arbitrary feature sets and learning a policy to identify valuable selections. Here, we take an information-theoretic perspective and prioritize features based on their mutual information with the response variable. The main challenge is implementing this policy, and we design a new approach that estimates the mutual information in a discriminative rather than generative fashion. Building on our approach, we then introduce several further improvements: allowing variable feature budgets across samples, enabling non-uniform feature costs, incorporating prior information, and exploring modern architectures to handle partial inputs. Our experiments show that our method provides consistent gains over recent methods across a variety of datasets.

Probabilistic diffusion models have achieved state-of-the-art results for image synthesis, inpainting, and text-to-image tasks. However, they are still in the early stages of generating complex 3D shapes. This work proposes Diffusion-SDF, a generative model for shape completion, single-view reconstruction, and reconstruction of real-scanned point clouds. We use neural signed distance functions (SDFs) as our 3D representation to parameterize the geometry of various signals (e.g., point clouds, 2D images) through neural networks. Neural SDFs are implicit functions and diffusing them amounts to learning the reversal of their neural network weights, which we solve using a custom modulation module. Extensive experiments show that our method is capable of both realistic unconditional generation and conditional generation from partial inputs. This work expands the domain of diffusion models from learning 2D, explicit representations, to 3D, implicit representations.

Diffusion models have obtained substantial progress in image-to-video (I2V) generation. However, such models are not fully understood. In this paper, we report a significant but previously overlooked issue in I2V diffusion models (I2V-DMs), namely, conditional image leakage. I2V-DMs tend to over-rely on the conditional image at large time steps, neglecting the crucial task of predicting the clean video from noisy inputs, which results in videos lacking dynamic and vivid motion. We further address this challenge from both inference and training aspects by presenting plug-and-play strategies accordingly. First, we introduce a training-free inference strategy that starts the generation process from an earlier time step to avoid the unreliable late-time steps of I2V-DMs, as well as an initial noise distribution with optimal analytic expressions (Analytic-Init) by minimizing the KL divergence between it and the actual marginal distribution to effectively bridge the training-inference gap. Second, to mitigate conditional image leakage during training, we design a time-dependent noise distribution for the conditional image, which favors high noise levels at large time steps to sufficiently interfere with the conditional image. We validate these strategies on various I2V-DMs using our collected open-domain image benchmark and the UCF101 dataset. Extensive results demonstrate that our methods outperform baselines by producing videos with more dynamic and natural motion without compromising image alignment and temporal consistency. The project page: https://cond-image-leak.github.io/.

We provide a two-way integration for the widely adopted ControlNet by integrating external condition generation algorithms into a single dense prediction method and incorporating its individually trained image generation processes into a single model. Despite its tremendous success, the ControlNet of a two-stage pipeline bears limitations in being not self-contained (e.g. calls the external condition generation algorithms) with a large model redundancy (separately trained models for different types of conditioning inputs). Our proposed OmniControlNet consolidates 1) the condition generation (e.g., HED edges, depth maps, user scribble, and animal pose) by a single multi-tasking dense prediction algorithm under the task embedding guidance and 2) the image generation process for different conditioning types under the textual embedding guidance. OmniControlNet achieves significantly reduced model complexity and redundancy while capable of producing images of comparable quality for conditioned text-to-image generation.

Generating high-resolution, photo-realistic images has been a long-standing goal in machine learning. Recently, Nguyen et al. (2016) showed one interesting way to synthesize novel images by performing gradient ascent in the latent space of a generator network to maximize the activations of one or multiple neurons in a separate classifier network. In this paper we extend this method by introducing an additional prior on the latent code, improving both sample quality and sample diversity, leading to a state-of-the-art generative model that produces high quality images at higher resolutions (227x227) than previous generative models, and does so for all 1000 ImageNet categories. In addition, we provide a unified probabilistic interpretation of related activation maximization methods and call the general class of models "Plug and Play Generative Networks". PPGNs are composed of 1) a generator network G that is capable of drawing a wide range of image types and 2) a replaceable "condition" network C that tells the generator what to draw. We demonstrate the generation of images conditioned on a class (when C is an ImageNet or MIT Places classification network) and also conditioned on a caption (when C is an image captioning network). Our method also improves the state of the art of Multifaceted Feature Visualization, which generates the set of synthetic inputs that activate a neuron in order to better understand how deep neural networks operate. Finally, we show that our model performs reasonably well at the task of image inpainting. While image models are used in this paper, the approach is modality-agnostic and can be applied to many types of data.

Existing text-to-image diffusion models primarily generate images from text prompts. However, the inherent conciseness of textual descriptions poses challenges in faithfully synthesizing images with intricate details, such as specific entities or scenes. This paper presents UNIMO-G, a simple multimodal conditional diffusion framework that operates on multimodal prompts with interleaved textual and visual inputs, which demonstrates a unified ability for both text-driven and subject-driven image generation. UNIMO-G comprises two core components: a Multimodal Large Language Model (MLLM) for encoding multimodal prompts, and a conditional denoising diffusion network for generating images based on the encoded multimodal input. We leverage a two-stage training strategy to effectively train the framework: firstly pre-training on large-scale text-image pairs to develop conditional image generation capabilities, and then instruction tuning with multimodal prompts to achieve unified image generation proficiency. A well-designed data processing pipeline involving language grounding and image segmentation is employed to construct multi-modal prompts. UNIMO-G excels in both text-to-image generation and zero-shot subject-driven synthesis, and is notably effective in generating high-fidelity images from complex multimodal prompts involving multiple image entities.

Recently, sequence-to-sequence (seq2seq) models with the Transformer architecture have achieved remarkable performance on various conditional text generation tasks, such as machine translation. However, most of them are trained with teacher forcing with the ground truth label given at each time step, without being exposed to incorrectly generated tokens during training, which hurts its generalization to unseen inputs, that is known as the "exposure bias" problem. In this work, we propose to mitigate the conditional text generation problem by contrasting positive pairs with negative pairs, such that the model is exposed to various valid or incorrect perturbations of the inputs, for improved generalization. However, training the model with naive contrastive learning framework using random non-target sequences as negative examples is suboptimal, since they are easily distinguishable from the correct output, especially so with models pretrained with large text corpora. Also, generating positive examples requires domain-specific augmentation heuristics which may not generalize over diverse domains. To tackle this problem, we propose a principled method to generate positive and negative samples for contrastive learning of seq2seq models. Specifically, we generate negative examples by adding small perturbations to the input sequence to minimize its conditional likelihood, and positive examples by adding large perturbations while enforcing it to have a high conditional likelihood. Such "hard" positive and negative pairs generated using our method guides the model to better distinguish correct outputs from incorrect ones. We empirically show that our proposed method significantly improves the generalization of the seq2seq on three text generation tasks - machine translation, text summarization, and question generation.

Neural Radiance Fields (NeRF) have emerged as a powerful representation for the task of novel view synthesis due to their simplicity and state-of-the-art performance. Though NeRF can produce photorealistic renderings of unseen viewpoints when many input views are available, its performance drops significantly when this number is reduced. We observe that the majority of artifacts in sparse input scenarios are caused by errors in the estimated scene geometry, and by divergent behavior at the start of training. We address this by regularizing the geometry and appearance of patches rendered from unobserved viewpoints, and annealing the ray sampling space during training. We additionally use a normalizing flow model to regularize the color of unobserved viewpoints. Our model outperforms not only other methods that optimize over a single scene, but in many cases also conditional models that are extensively pre-trained on large multi-view datasets.

Auto-regressive models have achieved impressive results in 2D image generation by modeling joint distributions in grid space. In this paper, we extend auto-regressive models to 3D domains, and seek a stronger ability of 3D shape generation by improving auto-regressive models at capacity and scalability simultaneously. Firstly, we leverage an ensemble of publicly available 3D datasets to facilitate the training of large-scale models. It consists of a comprehensive collection of approximately 900,000 objects, with multiple properties of meshes, points, voxels, rendered images, and text captions. This diverse labeled dataset, termed Objaverse-Mix, empowers our model to learn from a wide range of object variations. However, directly applying 3D auto-regression encounters critical challenges of high computational demands on volumetric grids and ambiguous auto-regressive order along grid dimensions, resulting in inferior quality of 3D shapes. To this end, we then present a novel framework Argus3D in terms of capacity. Concretely, our approach introduces discrete representation learning based on a latent vector instead of volumetric grids, which not only reduces computational costs but also preserves essential geometric details by learning the joint distributions in a more tractable order. The capacity of conditional generation can thus be realized by simply concatenating various conditioning inputs to the latent vector, such as point clouds, categories, images, and texts. In addition, thanks to the simplicity of our model architecture, we naturally scale up our approach to a larger model with an impressive 3.6 billion parameters, further enhancing the quality of versatile 3D generation. Extensive experiments on four generation tasks demonstrate that Argus3D can synthesize diverse and faithful shapes across multiple categories, achieving remarkable performance.

Recently, text-to-image generation models have achieved remarkable advancements, particularly with diffusion models facilitating high-quality image synthesis from textual descriptions. However, these models often struggle with achieving precise control over pixel-level layouts, object appearances, and global styles when using text prompts alone. To mitigate this issue, previous works introduce conditional images as auxiliary inputs for image generation, enhancing control but typically necessitating specialized models tailored to different types of reference inputs. In this paper, we explore a new approach to unify controllable generation within a single framework. Specifically, we propose the unified image-instruction adapter (UNIC-Adapter) built on the Multi-Modal-Diffusion Transformer architecture, to enable flexible and controllable generation across diverse conditions without the need for multiple specialized models. Our UNIC-Adapter effectively extracts multi-modal instruction information by incorporating both conditional images and task instructions, injecting this information into the image generation process through a cross-attention mechanism enhanced by Rotary Position Embedding. Experimental results across a variety of tasks, including pixel-level spatial control, subject-driven image generation, and style-image-based image synthesis, demonstrate the effectiveness of our UNIC-Adapter in unified controllable image generation.

Sparsely activated neural networks with conditional computation learn to route their inputs through different "expert" subnetworks, providing a form of modularity that densely activated models lack. Despite their possible benefits, models with learned routing often underperform their parameter-matched densely activated counterparts as well as models that use non-learned heuristic routing strategies. In this paper, we hypothesize that these shortcomings stem from the gradient estimation techniques used to train sparsely activated models that use non-differentiable discrete routing decisions. To address this issue, we introduce Soft Merging of Experts with Adaptive Routing (SMEAR), which avoids discrete routing by using a single "merged" expert constructed via a weighted average of all of the experts' parameters. By routing activations through a single merged expert, SMEAR does not incur a significant increase in computational costs and enables standard gradient-based training. We empirically validate that models using SMEAR outperform models that route based on metadata or learn sparse routing through gradient estimation. Furthermore, we provide qualitative analysis demonstrating that the experts learned via SMEAR exhibit a significant amount of specialization. All of the code used in our experiments is publicly available.

Image colorization has been attracting the research interests of the community for decades. However, existing methods still struggle to provide satisfactory colorized results given grayscale images due to a lack of human-like global understanding of colors. Recently, large-scale Text-to-Image (T2I) models have been exploited to transfer the semantic information from the text prompts to the image domain, where text provides a global control for semantic objects in the image. In this work, we introduce a colorization model piggybacking on the existing powerful T2I diffusion model. Our key idea is to exploit the color prior knowledge in the pre-trained T2I diffusion model for realistic and diverse colorization. A diffusion guider is designed to incorporate the pre-trained weights of the latent diffusion model to output a latent color prior that conforms to the visual semantics of the grayscale input. A lightness-aware VQVAE will then generate the colorized result with pixel-perfect alignment to the given grayscale image. Our model can also achieve conditional colorization with additional inputs (e.g. user hints and texts). Extensive experiments show that our method achieves state-of-the-art performance in terms of perceptual quality.

Recent studies of the emergent capabilities of transformer-based Natural Language Understanding (NLU) models have indicated that they have an understanding of lexical and compositional semantics. We provide evidence that suggests these claims should be taken with a grain of salt: we find that state-of-the-art Natural Language Inference (NLI) models are sensitive towards minor semantics preserving surface-form variations, which lead to sizable inconsistent model decisions during inference. Notably, this behaviour differs from valid and in-depth comprehension of compositional semantics, however does neither emerge when evaluating model accuracy on standard benchmarks nor when probing for syntactic, monotonic, and logically robust reasoning. We propose a novel framework to measure the extent of semantic sensitivity. To this end, we evaluate NLI models on adversarially generated examples containing minor semantics-preserving surface-form input noise. This is achieved using conditional text generation, with the explicit condition that the NLI model predicts the relationship between the original and adversarial inputs as a symmetric equivalence entailment. We systematically study the effects of the phenomenon across NLI models for in- and out-of- domain settings. Our experiments show that semantic sensitivity causes performance degradations of 12.92% and 23.71% average over in- and out-of- domain settings, respectively. We further perform ablation studies, analysing this phenomenon across models, datasets, and variations in inference and show that semantic sensitivity can lead to major inconsistency within model predictions.

State-space models are a low-complexity alternative to transformers for encoding long sequences and capturing long-term dependencies. We propose LOCOST: an encoder-decoder architecture based on state-space models for conditional text generation with long context inputs. With a computational complexity of O(L log L), this architecture can handle significantly longer sequences than state-of-the-art models that are based on sparse attention patterns. We evaluate our model on a series of long document abstractive summarization tasks. The model reaches a performance level that is 93-96% comparable to the top-performing sparse transformers of the same size while saving up to 50% memory during training and up to 87% during inference. Additionally, LOCOST effectively handles input texts exceeding 600K tokens at inference time, setting new state-of-the-art results on full-book summarization and opening new perspectives for long input processing.

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates a multimodal approach to simultaneously model, understand, and generate both sequences and structures. However, existing methods typically use separate models for each modality, limiting their ability to capture the intricate relationships between sequence and structure. This results in suboptimal performance in tasks that requires joint understanding and generation of both modalities. In this paper, we introduce DPLM-2, a multimodal protein foundation model that extends discrete diffusion protein language model (DPLM) to accommodate both sequences and structures. To enable structural learning with the language model, 3D coordinates are converted to discrete tokens using a lookup-free quantization-based tokenizer. By training on both experimental and high-quality synthetic structures, DPLM-2 learns the joint distribution of sequence and structure, as well as their marginals and conditionals. We also implement an efficient warm-up strategy to exploit the connection between large-scale evolutionary data and structural inductive biases from pre-trained sequence-based protein language models. Empirical evaluation shows that DPLM-2 can simultaneously generate highly compatible amino acid sequences and their corresponding 3D structures eliminating the need for a two-stage generation approach. Moreover, DPLM-2 demonstrates competitive performance in various conditional generation tasks, including folding, inverse folding, and scaffolding with multimodal motif inputs, as well as providing structure-aware representations for predictive tasks.

The conditional text-to-image diffusion models have garnered significant attention in recent years. However, the precision of these models is often compromised mainly for two reasons, ambiguous condition input and inadequate condition guidance over single denoising loss. To address the challenges, we introduce two innovative solutions. Firstly, we propose a Spatial Guidance Injector (SGI) which enhances conditional detail by encoding text inputs with precise annotation information. This method directly tackles the issue of ambiguous control inputs by providing clear, annotated guidance to the model. Secondly, to overcome the issue of limited conditional supervision, we introduce Diffusion Consistency Loss (DCL), which applies supervision on the denoised latent code at any given time step. This encourages consistency between the latent code at each time step and the input signal, thereby enhancing the robustness and accuracy of the output. The combination of SGI and DCL results in our Effective Controllable Network (ECNet), which offers a more accurate controllable end-to-end text-to-image generation framework with a more precise conditioning input and stronger controllable supervision. We validate our approach through extensive experiments on generation under various conditions, such as human body skeletons, facial landmarks, and sketches of general objects. The results consistently demonstrate that our method significantly enhances the controllability and robustness of the generated images, outperforming existing state-of-the-art controllable text-to-image models.

While 3D content generation has advanced significantly, existing methods still face challenges with input formats, latent space design, and output representations. This paper introduces a novel 3D generation framework that addresses these challenges, offering scalable, high-quality 3D generation with an interactive Point Cloud-structured Latent space. Our framework employs a Variational Autoencoder (VAE) with multi-view posed RGB-D(epth)-N(ormal) renderings as input, using a unique latent space design that preserves 3D shape information, and incorporates a cascaded latent diffusion model for improved shape-texture disentanglement. The proposed method, GaussianAnything, supports multi-modal conditional 3D generation, allowing for point cloud, caption, and single/multi-view image inputs. Notably, the newly proposed latent space naturally enables geometry-texture disentanglement, thus allowing 3D-aware editing. Experimental results demonstrate the effectiveness of our approach on multiple datasets, outperforming existing methods in both text- and image-conditioned 3D generation.

In recent years, diffusion models have made remarkable strides in text-to-video generation, sparking a quest for enhanced control over video outputs to more accurately reflect user intentions. Traditional efforts predominantly focus on employing either semantic cues, like images or depth maps, or motion-based conditions, like moving sketches or object bounding boxes. Semantic inputs offer a rich scene context but lack detailed motion specificity; conversely, motion inputs provide precise trajectory information but miss the broader semantic narrative. For the first time, we integrate both semantic and motion cues within a diffusion model for video generation, as demonstrated in Fig 1. To this end, we introduce the Scene and Motion Conditional Diffusion (SMCD), a novel methodology for managing multimodal inputs. It incorporates a recognized motion conditioning module and investigates various approaches to integrate scene conditions, promoting synergy between different modalities. For model training, we separate the conditions for the two modalities, introducing a two-stage training pipeline. Experimental results demonstrate that our design significantly enhances video quality, motion precision, and semantic coherence.

Recently, image-to-3D approaches have significantly advanced the generation quality and speed of 3D assets based on large reconstruction models, particularly 3D Gaussian reconstruction models. Existing large 3D Gaussian models directly map 2D image to 3D Gaussian parameters, while regressing 2D image to 3D Gaussian representations is challenging without 3D priors. In this paper, we propose a large Point-to-Gaussian model, that inputs the initial point cloud produced from large 3D diffusion model conditional on 2D image to generate the Gaussian parameters, for image-to-3D generation. The point cloud provides initial 3D geometry prior for Gaussian generation, thus significantly facilitating image-to-3D Generation. Moreover, we present the Attention mechanism, Projection mechanism, and Point feature extractor, dubbed as APP block, for fusing the image features with point cloud features. The qualitative and quantitative experiments extensively demonstrate the effectiveness of the proposed approach on GSO and Objaverse datasets, and show the proposed method achieves state-of-the-art performance.

Auto-Regressive (AR) models have achieved impressive results in 2D image generation by modeling joint distributions in the grid space. While this approach has been extended to the 3D domain for powerful shape generation, it still has two limitations: expensive computations on volumetric grids and ambiguous auto-regressive order along grid dimensions. To overcome these limitations, we propose the Improved Auto-regressive Model (ImAM) for 3D shape generation, which applies discrete representation learning based on a latent vector instead of volumetric grids. Our approach not only reduces computational costs but also preserves essential geometric details by learning the joint distribution in a more tractable order. Moreover, thanks to the simplicity of our model architecture, we can naturally extend it from unconditional to conditional generation by concatenating various conditioning inputs, such as point clouds, categories, images, and texts. Extensive experiments demonstrate that ImAM can synthesize diverse and faithful shapes of multiple categories, achieving state-of-the-art performance.

Existing methods for vision-and-language learning typically require designing task-specific architectures and objectives for each task. For example, a multi-label answer classifier for visual question answering, a region scorer for referring expression comprehension, and a language decoder for image captioning, etc. To alleviate these hassles, in this work, we propose a unified framework that learns different tasks in a single architecture with the same language modeling objective, i.e., multimodal conditional text generation, where our models learn to generate labels in text based on the visual and textual inputs. On 7 popular vision-and-language benchmarks, including visual question answering, referring expression comprehension, visual commonsense reasoning, most of which have been previously modeled as discriminative tasks, our generative approach (with a single unified architecture) reaches comparable performance to recent task-specific state-of-the-art vision-and-language models. Moreover, our generative approach shows better generalization ability on questions that have rare answers. Also, we show that our framework allows multi-task learning in a single architecture with a single set of parameters, achieving similar performance to separately optimized single-task models. Our code is publicly available at: https://github.com/j-min/VL-T5

Holistic 3D modeling of molecularly defined brain structures is crucial for understanding complex brain functions. Emerging tissue profiling technologies enable the construction of a comprehensive atlas of the mammalian brain with sub-cellular resolution and spatially resolved gene expression data. However, such tera-scale volumetric datasets present significant computational challenges in understanding complex brain functions within their native 3D spatial context. Here, we propose the novel generative approach Tera-MIND, which can simulate Tera-scale Mouse braINs in 3D using a patch-based and boundary-aware Diffusion model. Taking spatial transcriptomic data as the conditional input, we generate virtual mouse brains with comprehensive cellular morphological detail at teravoxel scale. Through the lens of 3D gene-gene self-attention, we identify spatial molecular interactions for key transcriptomic pathways in the murine brain, exemplified by glutamatergic and dopaminergic neuronal systems. Importantly, these in-silico biological findings are consistent and reproducible across three tera-scale virtual mouse brains. Therefore, Tera-MIND showcases a promising path toward efficient and generative simulations of whole organ systems for biomedical research. Project website: http://musikisomorphie.github.io/Tera-MIND.html{https}

Diffusion models trained with mean squared error loss tend to generate unrealistic samples. Current state-of-the-art models rely on classifier-free guidance to improve sample quality, yet its surprising effectiveness is not fully understood. In this paper, We show that the effectiveness of classifier-free guidance partly originates from it being a form of implicit perceptual guidance. As a result, we can directly incorporate perceptual loss in diffusion training to improve sample quality. Since the score matching objective used in diffusion training strongly resembles the denoising autoencoder objective used in unsupervised training of perceptual networks, the diffusion model itself is a perceptual network and can be used to generate meaningful perceptual loss. We propose a novel self-perceptual objective that results in diffusion models capable of generating more realistic samples. For conditional generation, our method only improves sample quality without entanglement with the conditional input and therefore does not sacrifice sample diversity. Our method can also improve sample quality for unconditional generation, which was not possible with classifier-free guidance before.

The advancement of autonomous driving is increasingly reliant on high-quality annotated datasets, especially in the task of 3D occupancy prediction, where the occupancy labels require dense 3D annotation with significant human effort. In this paper, we propose SyntheOcc, which denotes a diffusion model that Synthesize photorealistic and geometric-controlled images by conditioning Occupancy labels in driving scenarios. This yields an unlimited amount of diverse, annotated, and controllable datasets for applications like training perception models and simulation. SyntheOcc addresses the critical challenge of how to efficiently encode 3D geometric information as conditional input to a 2D diffusion model. Our approach innovatively incorporates 3D semantic multi-plane images (MPIs) to provide comprehensive and spatially aligned 3D scene descriptions for conditioning. As a result, SyntheOcc can generate photorealistic multi-view images and videos that faithfully align with the given geometric labels (semantics in 3D voxel space). Extensive qualitative and quantitative evaluations of SyntheOcc on the nuScenes dataset prove its effectiveness in generating controllable occupancy datasets that serve as an effective data augmentation to perception models.

In this paper, we explore the visual representations produced from a pre-trained text-to-video (T2V) diffusion model for video understanding tasks. We hypothesize that the latent representation learned from a pretrained generative T2V model encapsulates rich semantics and coherent temporal correspondences, thereby naturally facilitating video understanding. Our hypothesis is validated through the classic referring video object segmentation (R-VOS) task. We introduce a novel framework, termed "VD-IT", tailored with dedicatedly designed components built upon a fixed pretrained T2V model. Specifically, VD-IT uses textual information as a conditional input, ensuring semantic consistency across time for precise temporal instance matching. It further incorporates image tokens as supplementary textual inputs, enriching the feature set to generate detailed and nuanced masks. Besides, instead of using the standard Gaussian noise, we propose to predict the video-specific noise with an extra noise prediction module, which can help preserve the feature fidelity and elevates segmentation quality. Through extensive experiments, we surprisingly observe that fixed generative T2V diffusion models, unlike commonly used video backbones (e.g., Video Swin Transformer) pretrained with discriminative image/video pre-tasks, exhibit better potential to maintain semantic alignment and temporal consistency. On existing standard benchmarks, our VD-IT achieves highly competitive results, surpassing many existing state-of-the-art methods. The code is available at https://github.com/buxiangzhiren/VD-IT.

Perception systems play a crucial role in autonomous driving, incorporating multiple sensors and corresponding computer vision algorithms. 3D LiDAR sensors are widely used to capture sparse point clouds of the vehicle's surroundings. However, such systems struggle to perceive occluded areas and gaps in the scene due to the sparsity of these point clouds and their lack of semantics. To address these challenges, Semantic Scene Completion (SSC) jointly predicts unobserved geometry and semantics in the scene given raw LiDAR measurements, aiming for a more complete scene representation. Building on promising results of diffusion models in image generation and super-resolution tasks, we propose their extension to SSC by implementing the noising and denoising diffusion processes in the point and semantic spaces individually. To control the generation, we employ semantic LiDAR point clouds as conditional input and design local and global regularization losses to stabilize the denoising process. We evaluate our approach on autonomous driving datasets and our approach outperforms the state-of-the-art for SSC.

We investigate the task of adapting image generative models to different datasets without finetuneing. To this end, we introduce Semantica, an image-conditioned diffusion model capable of generating images based on the semantics of a conditioning image. Semantica is trained exclusively on web-scale image pairs, that is it receives a random image from a webpage as conditional input and models another random image from the same webpage. Our experiments highlight the expressivity of pretrained image encoders and necessity of semantic-based data filtering in achieving high-quality image generation. Once trained, it can adaptively generate new images from a dataset by simply using images from that dataset as input. We study the transfer properties of Semantica on ImageNet, LSUN Churches, LSUN Bedroom and SUN397.

World models have emerged as promising neural simulators for autonomous driving, with the potential to supplement scarce real-world data and enable closed-loop evaluations. However, current research primarily evaluates these models based on visual realism or downstream task performance, with limited focus on fidelity to specific action instructions - a crucial property for generating targeted simulation scenes. Although some studies address action fidelity, their evaluations rely on closed-source mechanisms, limiting reproducibility. To address this gap, we develop an open-access evaluation framework, ACT-Bench, for quantifying action fidelity, along with a baseline world model, Terra. Our benchmarking framework includes a large-scale dataset pairing short context videos from nuScenes with corresponding future trajectory data, which provides conditional input for generating future video frames and enables evaluation of action fidelity for executed motions. Furthermore, Terra is trained on multiple large-scale trajectory-annotated datasets to enhance action fidelity. Leveraging this framework, we demonstrate that the state-of-the-art model does not fully adhere to given instructions, while Terra achieves improved action fidelity. All components of our benchmark framework will be made publicly available to support future research.

The stylization of 3D scenes is an increasingly attractive topic in 3D vision. Although image style transfer has been extensively researched with promising results, directly applying 2D style transfer methods to 3D scenes often fails to preserve the structural and multi-view properties of 3D environments, resulting in unpleasant distortions in images from different viewpoints. To address these issues, we leverage the remarkable generative prior of diffusion-based models and propose a novel style transfer method, OSDiffST, based on a pre-trained one-step diffusion model (i.e., SD-Turbo) for rendering diverse styles in multi-view images of 3D scenes. To efficiently adapt the pre-trained model for multi-view style transfer on small datasets, we introduce a vision condition module to extract style information from the reference style image to serve as conditional input for the diffusion model and employ LoRA in diffusion model for adaptation. Additionally, we consider color distribution alignment and structural similarity between the stylized and content images using two specific loss functions. As a result, our method effectively preserves the structural information and multi-view consistency in stylized images without any 3D information. Experiments show that our method surpasses other promising style transfer methods in synthesizing various styles for multi-view images of 3D scenes. Stylized images from different viewpoints generated by our method achieve superior visual quality, with better structural integrity and less distortion. The source code is available at https://github.com/YushenZuo/OSDiffST.

This paper presents VoiceLDM, a model designed to produce audio that accurately follows two distinct natural language text prompts: the description prompt and the content prompt. The former provides information about the overall environmental context of the audio, while the latter conveys the linguistic content. To achieve this, we adopt a text-to-audio (TTA) model based on latent diffusion models and extend its functionality to incorporate an additional content prompt as a conditional input. By utilizing pretrained contrastive language-audio pretraining (CLAP) and Whisper, VoiceLDM is trained on large amounts of real-world audio without manual annotations or transcriptions. Additionally, we employ dual classifier-free guidance to further enhance the controllability of VoiceLDM. Experimental results demonstrate that VoiceLDM is capable of generating plausible audio that aligns well with both input conditions, even surpassing the speech intelligibility of the ground truth audio on the AudioCaps test set. Furthermore, we explore the text-to-speech (TTS) and zero-shot text-to-audio capabilities of VoiceLDM and show that it achieves competitive results. Demos and code are available at https://voiceldm.github.io.

Prefix-tuning is a powerful lightweight technique for adapting a large pre-trained language model to a downstream application. However, it uses the same dataset-level tuned prompt for all examples in the dataset. We extend this idea and propose a dynamic method, Control Prefixes, which allows for the inclusion of conditional input-dependent information, combining the benefits of prompt tuning and controlled generation. The method incorporates attribute-level learnable representations into different layers of a pre-trained transformer, allowing for the generated text to be guided in a particular direction. We provide a systematic evaluation of the technique and apply it to five datasets from the GEM benchmark for natural language generation (NLG). Although the aim is to develop a parameter-efficient model, we show Control Prefixes can even outperform full fine-tuning methods. We present state-of-the-art results on several data-to-text datasets, including WebNLG.

Conditional contrastive learning frameworks consider the conditional sampling procedure that constructs positive or negative data pairs conditioned on specific variables. Fair contrastive learning constructs negative pairs, for example, from the same gender (conditioning on sensitive information), which in turn reduces undesirable information from the learned representations; weakly supervised contrastive learning constructs positive pairs with similar annotative attributes (conditioning on auxiliary information), which in turn are incorporated into the representations. Although conditional contrastive learning enables many applications, the conditional sampling procedure can be challenging if we cannot obtain sufficient data pairs for some values of the conditioning variable. This paper presents Conditional Contrastive Learning with Kernel (CCL-K) that converts existing conditional contrastive objectives into alternative forms that mitigate the insufficient data problem. Instead of sampling data according to the value of the conditioning variable, CCL-K uses the Kernel Conditional Embedding Operator that samples data from all available data and assigns weights to each sampled data given the kernel similarity between the values of the conditioning variable. We conduct experiments using weakly supervised, fair, and hard negatives contrastive learning, showing CCL-K outperforms state-of-the-art baselines.

Often we wish to predict a large number of variables that depend on each other as well as on other observed variables. Structured prediction methods are essentially a combination of classification and graphical modeling, combining the ability of graphical models to compactly model multivariate data with the ability of classification methods to perform prediction using large sets of input features. This tutorial describes conditional random fields, a popular probabilistic method for structured prediction. CRFs have seen wide application in natural language processing, computer vision, and bioinformatics. We describe methods for inference and parameter estimation for CRFs, including practical issues for implementing large scale CRFs. We do not assume previous knowledge of graphical modeling, so this tutorial is intended to be useful to practitioners in a wide variety of fields.

Language models (LMs) are pretrained to imitate internet text, including content that would violate human preferences if generated by an LM: falsehoods, offensive comments, personally identifiable information, low-quality or buggy code, and more. Here, we explore alternative objectives for pretraining LMs in a way that also guides them to generate text aligned with human preferences. We benchmark five objectives for pretraining with human feedback across three tasks and study how they affect the trade-off between alignment and capabilities of pretrained LMs. We find a Pareto-optimal and simple approach among those we explored: conditional training, or learning distribution over tokens conditional on their human preference scores given by a reward model. Conditional training reduces the rate of undesirable content by up to an order of magnitude, both when generating without a prompt and with an adversarially-chosen prompt. Moreover, conditional training maintains the downstream task performance of standard LM pretraining, both before and after task-specific finetuning. Pretraining with human feedback results in much better preference satisfaction than standard LM pretraining followed by finetuning with feedback, i.e., learning and then unlearning undesirable behavior. Our results suggest that we should move beyond imitation learning when pretraining LMs and incorporate human preferences from the start of training.

We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that are discrete tokens corresponding to positions in an input sequence. Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines, because the number of target classes in each step of the output depends on the length of the input, which is variable. Problems such as sorting variable sized sequences, and various combinatorial optimization problems belong to this class. Our model solves the problem of variable size output dictionaries using a recently proposed mechanism of neural attention. It differs from the previous attention attempts in that, instead of using attention to blend hidden units of an encoder to a context vector at each decoder step, it uses attention as a pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net). We show Ptr-Nets can be used to learn approximate solutions to three challenging geometric problems -- finding planar convex hulls, computing Delaunay triangulations, and the planar Travelling Salesman Problem -- using training examples alone. Ptr-Nets not only improve over sequence-to-sequence with input attention, but also allow us to generalize to variable size output dictionaries. We show that the learnt models generalize beyond the maximum lengths they were trained on. We hope our results on these tasks will encourage a broader exploration of neural learning for discrete problems.

Diffusion models are a class of probabilistic generative models that have been widely used as a prior for image processing tasks like text conditional generation and inpainting. We demonstrate that these models can be adapted to make predictions and provide uncertainty quantification for chaotic dynamical systems. In these applications, diffusion models can implicitly represent knowledge about outliers and extreme events; however, querying that knowledge through conditional sampling or measuring probabilities is surprisingly difficult. Existing methods for conditional sampling at inference time seek mainly to enforce the constraints, which is insufficient to match the statistics of the distribution or compute the probability of the chosen events. To achieve these ends, optimally one would use the conditional score function, but its computation is typically intractable. In this work, we develop a probabilistic approximation scheme for the conditional score function which provably converges to the true distribution as the noise level decreases. With this scheme we are able to sample conditionally on nonlinear userdefined events at inference time, and matches data statistics even when sampling from the tails of the distribution.

To enhance the controllability of text-to-image diffusion models, existing efforts like ControlNet incorporated image-based conditional controls. In this paper, we reveal that existing methods still face significant challenges in generating images that align with the image conditional controls. To this end, we propose ControlNet++, a novel approach that improves controllable generation by explicitly optimizing pixel-level cycle consistency between generated images and conditional controls. Specifically, for an input conditional control, we use a pre-trained discriminative reward model to extract the corresponding condition of the generated images, and then optimize the consistency loss between the input conditional control and extracted condition. A straightforward implementation would be generating images from random noises and then calculating the consistency loss, but such an approach requires storing gradients for multiple sampling timesteps, leading to considerable time and memory costs. To address this, we introduce an efficient reward strategy that deliberately disturbs the input images by adding noise, and then uses the single-step denoised images for reward fine-tuning. This avoids the extensive costs associated with image sampling, allowing for more efficient reward fine-tuning. Extensive experiments show that ControlNet++ significantly improves controllability under various conditional controls. For example, it achieves improvements over ControlNet by 7.9% mIoU, 13.4% SSIM, and 7.6% RMSE, respectively, for segmentation mask, line-art edge, and depth conditions.

With the rise of powerful pre-trained vision-language models like CLIP, it becomes essential to investigate ways to adapt these models to downstream datasets. A recently proposed method named Context Optimization (CoOp) introduces the concept of prompt learning -- a recent trend in NLP -- to the vision domain for adapting pre-trained vision-language models. Specifically, CoOp turns context words in a prompt into a set of learnable vectors and, with only a few labeled images for learning, can achieve huge improvements over intensively-tuned manual prompts. In our study we identify a critical problem of CoOp: the learned context is not generalizable to wider unseen classes within the same dataset, suggesting that CoOp overfits base classes observed during training. To address the problem, we propose Conditional Context Optimization (CoCoOp), which extends CoOp by further learning a lightweight neural network to generate for each image an input-conditional token (vector). Compared to CoOp's static prompts, our dynamic prompts adapt to each instance and are thus less sensitive to class shift. Extensive experiments show that CoCoOp generalizes much better than CoOp to unseen classes, even showing promising transferability beyond a single dataset; and yields stronger domain generalization performance as well. Code is available at https://github.com/KaiyangZhou/CoOp.

Reasoning is a fundamental component for achieving language understanding. Among the multiple types of reasoning, conditional reasoning, the ability to draw different conclusions depending on some condition, has been understudied in large language models (LLMs). Recent prompting methods, such as chain of thought, have significantly improved LLMs on reasoning tasks. Nevertheless, there is still little understanding of what triggers reasoning abilities in LLMs. We hypothesize that code prompts can trigger conditional reasoning in LLMs trained on text and code. We propose a chain of prompts that transforms a natural language problem into code and prompts the LLM with the generated code. Our experiments find that code prompts exhibit a performance boost between 2.6 and 7.7 points on GPT 3.5 across multiple datasets requiring conditional reasoning. We then conduct experiments to discover how code prompts elicit conditional reasoning abilities and through which features. We observe that prompts need to contain natural language text accompanied by high-quality code that closely represents the semantics of the instance text. Furthermore, we show that code prompts are more efficient, requiring fewer demonstrations, and that they trigger superior state tracking of variables or key entities.

To build an artificial neural network like the biological intelligence system, recent works have unified numerous tasks into a generalist model, which can process various tasks with shared parameters and do not have any task-specific modules. While generalist models achieve promising results on various benchmarks, they have performance degradation on some tasks compared with task-specialized models. In this work, we find that interference among different tasks and modalities is the main factor to this phenomenon. To mitigate such interference, we introduce the Conditional Mixture-of-Experts (Conditional MoEs) to generalist models. Routing strategies under different levels of conditions are proposed to take both the training/inference cost and generalization ability into account. By incorporating the proposed Conditional MoEs, the recently proposed generalist model Uni-Perceiver can effectively mitigate the interference across tasks and modalities, and achieves state-of-the-art results on a series of downstream tasks via prompt tuning on 1% of downstream data. Moreover, the introduction of Conditional MoEs still holds the generalization ability of generalist models to conduct zero-shot inference on new tasks, e.g., video-text retrieval and video caption. Code and pre-trained generalist models shall be released.

We propose TR0N, a highly general framework to turn pre-trained unconditional generative models, such as GANs and VAEs, into conditional models. The conditioning can be highly arbitrary, and requires only a pre-trained auxiliary model. For example, we show how to turn unconditional models into class-conditional ones with the help of a classifier, and also into text-to-image models by leveraging CLIP. TR0N learns a lightweight stochastic mapping which "translates" between the space of conditions and the latent space of the generative model, in such a way that the generated latent corresponds to a data sample satisfying the desired condition. The translated latent samples are then further improved upon through Langevin dynamics, enabling us to obtain higher-quality data samples. TR0N requires no training data nor fine-tuning, yet can achieve a zero-shot FID of 10.9 on MS-COCO, outperforming competing alternatives not only on this metric, but also in sampling speed -- all while retaining a much higher level of generality. Our code is available at https://github.com/layer6ai-labs/tr0n.

We show that there is a general, informative and reliable procedure for discovering causal relations when, for all the investigator knows, both latent variables and selection bias may be at work. Given information about conditional independence and dependence relations between measured variables, even when latent variables and selection bias may be present, there are sufficient conditions for reliably concluding that there is a causal path from one variable to another, and sufficient conditions for reliably concluding when no such causal path exists.

Neural Posterior Estimation methods for simulation-based inference can be ill-suited for dealing with posterior distributions obtained by conditioning on multiple observations, as they tend to require a large number of simulator calls to learn accurate approximations. In contrast, Neural Likelihood Estimation methods can handle multiple observations at inference time after learning from individual observations, but they rely on standard inference methods, such as MCMC or variational inference, which come with certain performance drawbacks. We introduce a new method based on conditional score modeling that enjoys the benefits of both approaches. We model the scores of the (diffused) posterior distributions induced by individual observations, and introduce a way of combining the learned scores to approximately sample from the target posterior distribution. Our approach is sample-efficient, can naturally aggregate multiple observations at inference time, and avoids the drawbacks of standard inference methods.

In this work, we present a variety of novel information-theoretic generalization bounds for learning algorithms, from the supersample setting of Steinke & Zakynthinou (2020)-the setting of the "conditional mutual information" framework. Our development exploits projecting the loss pair (obtained from a training instance and a testing instance) down to a single number and correlating loss values with a Rademacher sequence (and its shifted variants). The presented bounds include square-root bounds, fast-rate bounds, including those based on variance and sharpness, and bounds for interpolating algorithms etc. We show theoretically or empirically that these bounds are tighter than all information-theoretic bounds known to date on the same supersample setting.

Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting the final class label given the predicted concepts. However, (1) they often fail to capture the high-order, nonlinear interaction between concepts, e.g., correcting a predicted concept (e.g., "yellow breast") does not help correct highly correlated concepts (e.g., "yellow belly"), leading to suboptimal final accuracy; (2) they cannot naturally quantify the complex conditional dependencies between different concepts and class labels (e.g., for an image with the class label "Kentucky Warbler" and a concept "black bill", what is the probability that the model correctly predicts another concept "black crown"), therefore failing to provide deeper insight into how a black-box model works. In response to these limitations, we propose Energy-based Concept Bottleneck Models (ECBMs). Our ECBMs use a set of neural networks to define the joint energy of candidate (input, concept, class) tuples. With such a unified interface, prediction, concept correction, and conditional dependency quantification are then represented as conditional probabilities, which are generated by composing different energy functions. Our ECBMs address both limitations of existing CBMs, providing higher accuracy and richer concept interpretations. Empirical results show that our approach outperforms the state-of-the-art on real-world datasets.

Controllable text generation systems often leverage control codes to direct various properties of the output like style and length. Inspired by recent work on causal inference for NLP, this paper reveals a previously overlooked flaw in these control code-based conditional text generation algorithms. Spurious correlations in the training data can lead models to incorrectly rely on parts of the input other than the control code for attribute selection, significantly undermining downstream generation quality and controllability. We demonstrate the severity of this issue with a series of case studies and then propose two simple techniques to reduce these correlations in training sets. The first technique is based on resampling the data according to an example's propensity towards each linguistic attribute (IPS). The second produces multiple counterfactual versions of each example and then uses an additional feedback mechanism to remove noisy examples (feedback aware self-training, FAST). We evaluate on 3 tasks -- news headline, meta review, and search ads generation -- and demonstrate that FAST can significantly improve the controllability and language quality of generated outputs when compared to state-of-the-art controllable text generation approaches.

In-context learning is a recent paradigm in natural language understanding, where a large pre-trained language model (LM) observes a test instance and a few training examples as its input, and directly decodes the output without any update to its parameters. However, performance has been shown to strongly depend on the selected training examples (termed prompt). In this work, we propose an efficient method for retrieving prompts for in-context learning using annotated data and a LM. Given an input-output pair, we estimate the probability of the output given the input and a candidate training example as the prompt, and label training examples as positive or negative based on this probability. We then train an efficient dense retriever from this data, which is used to retrieve training examples as prompts at test time. We evaluate our approach on three sequence-to-sequence tasks where language utterances are mapped to meaning representations, and find that it substantially outperforms prior work and multiple baselines across the board.

We present a conditional text generation framework that posits sentential expressions of possible causes and effects. This framework depends on two novel resources we develop in the course of this work: a very large-scale collection of English sentences expressing causal patterns CausalBank; and a refinement over previous work on constructing large lexical causal knowledge graphs Cause Effect Graph. Further, we extend prior work in lexically-constrained decoding to support disjunctive positive constraints. Human assessment confirms that our approach gives high-quality and diverse outputs. Finally, we use CausalBank to perform continued training of an encoder supporting a recent state-of-the-art model for causal reasoning, leading to a 3-point improvement on the COPA challenge set, with no change in model architecture.

Supervised learning usually requires a large amount of labelled data. However, attaining ground-truth labels is costly for many tasks. Alternatively, weakly supervised methods learn with cheap weak signals that only approximately label some data. Many existing weakly supervised learning methods learn a deterministic function that estimates labels given the input data and weak signals. In this paper, we develop label learning flows (LLF), a general framework for weakly supervised learning problems. Our method is a generative model based on normalizing flows. The main idea of LLF is to optimize the conditional likelihoods of all possible labelings of the data within a constrained space defined by weak signals. We develop a training method for LLF that trains the conditional flow inversely and avoids estimating the labels. Once a model is trained, we can make predictions with a sampling algorithm. We apply LLF to three weakly supervised learning problems. Experiment results show that our method outperforms many baselines we compare against.

Most positive and unlabeled data is subject to selection biases. The labeled examples can, for example, be selected from the positive set because they are easier to obtain or more obviously positive. This paper investigates how learning can be ena BHbled in this setting. We propose and theoretically analyze an empirical-risk-based method for incorporating the labeling mechanism. Additionally, we investigate under which assumptions learning is possible when the labeling mechanism is not fully understood and propose a practical method to enable this. Our empirical analysis supports the theoretical results and shows that taking into account the possibility of a selection bias, even when the labeling mechanism is unknown, improves the trained classifiers.

We incorporate discrete and continuous time Markov processes as building blocks into probabilistic graphical models with latent and observed variables. We introduce the automatic Backward Filtering Forward Guiding (BFFG) paradigm (Mider et al., 2021) for programmable inference on latent states and model parameters. Our starting point is a generative model, a forward description of the probabilistic process dynamics. We backpropagate the information provided by observations through the model to transform the generative (forward) model into a pre-conditional model guided by the data. It approximates the actual conditional model with known likelihood-ratio between the two. The backward filter and the forward change of measure are suitable to be incorporated into a probabilistic programming context because they can be formulated as a set of transformation rules. The guided generative model can be incorporated in different approaches to efficiently sample latent states and parameters conditional on observations. We show applicability in a variety of settings, including Markov chains with discrete state space, interacting particle systems, state space models, branching diffusions and Gamma processes.

Conditional Text Generation has drawn much attention as a topic of Natural Language Generation (NLG) which provides the possibility for humans to control the properties of generated contents. Current conditional generation models cannot handle emerging conditions due to their joint end-to-end learning fashion. When a new condition added, these techniques require full retraining. In this paper, we present a new framework named Pre-train and Plug-in Variational Auto-Encoder (PPVAE) towards flexible conditional text generation. PPVAE decouples the text generation module from the condition representation module to allow "one-to-many" conditional generation. When a fresh condition emerges, only a lightweight network needs to be trained and works as a plug-in for PPVAE, which is efficient and desirable for real-world applications. Extensive experiments demonstrate the superiority of PPVAE against the existing alternatives with better conditionality and diversity but less training effort.

The notions of disintegration and Bayesian inversion are fundamental in conditional probability theory. They produce channels, as conditional probabilities, from a joint state, or from an already given channel (in opposite direction). These notions exist in the literature, in concrete situations, but are presented here in abstract graphical formulations. The resulting abstract descriptions are used for proving basic results in conditional probability theory. The existence of disintegration and Bayesian inversion is discussed for discrete probability, and also for measure-theoretic probability --- via standard Borel spaces and via likelihoods. Finally, the usefulness of disintegration and Bayesian inversion is illustrated in several examples.

Gene regulatory network inference (GRNI) is a challenging problem, particularly owing to the presence of zeros in single-cell RNA sequencing data: some are biological zeros representing no gene expression, while some others are technical zeros arising from the sequencing procedure (aka dropouts), which may bias GRNI by distorting the joint distribution of the measured gene expressions. Existing approaches typically handle dropout error via imputation, which may introduce spurious relations as the true joint distribution is generally unidentifiable. To tackle this issue, we introduce a causal graphical model to characterize the dropout mechanism, namely, Causal Dropout Model. We provide a simple yet effective theoretical result: interestingly, the conditional independence (CI) relations in the data with dropouts, after deleting the samples with zero values (regardless if technical or not) for the conditioned variables, are asymptotically identical to the CI relations in the original data without dropouts. This particular test-wise deletion procedure, in which we perform CI tests on the samples without zeros for the conditioned variables, can be seamlessly integrated with existing structure learning approaches including constraint-based and greedy score-based methods, thus giving rise to a principled framework for GRNI in the presence of dropouts. We further show that the causal dropout model can be validated from data, and many existing statistical models to handle dropouts fit into our model as specific parametric instances. Empirical evaluation on synthetic, curated, and real-world experimental transcriptomic data comprehensively demonstrate the efficacy of our method.

Datasets scraped from the internet have been critical to the successes of large-scale machine learning. Yet, this very success puts the utility of future internet-derived datasets at potential risk, as model outputs begin to replace human annotations as a source of supervision. In this work, we first formalize a system where interactions with one model are recorded as history and scraped as training data in the future. We then analyze its stability over time by tracking changes to a test-time bias statistic (e.g. gender bias of model predictions). We find that the degree of bias amplification is closely linked to whether the model's outputs behave like samples from the training distribution, a behavior which we characterize and define as consistent calibration. Experiments in three conditional prediction scenarios - image classification, visual role-labeling, and language generation - demonstrate that models that exhibit a sampling-like behavior are more calibrated and thus more stable. Based on this insight, we propose an intervention to help calibrate and stabilize unstable feedback systems. Code is available at https://github.com/rtaori/data_feedback.

Aiming to generalize the label knowledge from a source domain with continuous outputs to an unlabeled target domain, Domain Adaptation Regression (DAR) is developed for complex practical learning problems. However, due to the continuity problem in regression, existing conditional distribution alignment theory and methods with discrete prior, which are proven to be effective in classification settings, are no longer applicable. In this work, focusing on the feasibility problems in DAR, we establish the sufficiency theory for the regression model, which shows the generalization error can be sufficiently dominated by the cross-domain conditional discrepancy. Further, to characterize conditional discrepancy with continuous conditioning variable, a novel Conditional Operator Discrepancy (COD) is proposed, which admits the metric property on conditional distributions via the kernel embedding theory. Finally, to minimize the discrepancy, a COD-based conditional invariant representation learning model is proposed, and the reformulation is derived to show that reasonable modifications on moment statistics can further improve the discriminability of the adaptation model. Extensive experiments on standard DAR datasets verify the validity of theoretical results and the superiority over SOTA DAR methods.

Conditional story generation is significant in human-machine interaction, particularly in producing stories with complex plots. While Large language models (LLMs) perform well on multiple NLP tasks, including story generation, it is challenging to generate stories with both complex and creative plots. Existing methods often rely on detailed prompts to guide LLMs to meet target conditions, which inadvertently restrict the creative potential of the generated stories. We argue that leveraging information from exemplary human-written stories facilitates generating more diverse plotlines. Delving deeper into story details helps build complex and credible plots. In this paper, we propose a retrieval-auGmented stoRy generation framework with a fOrest of eVidEnce (GROVE) to enhance stories' complexity. We build a retrieval repository for target conditions to produce few-shot examples to prompt LLMs. Additionally, we design an ``asking-why'' prompting scheme that extracts a forest of evidence, providing compensation for the ambiguities that may occur in the generated story. This iterative process uncovers underlying story backgrounds. Finally, we select the most fitting chains of evidence from the evidence forest and integrate them into the generated story, thereby enhancing the narrative's complexity and credibility. Experimental results and numerous examples verify the effectiveness of our method.

Large-scale neural language models exhibit a remarkable capacity for in-context learning (ICL): they can infer novel functions from datasets provided as input. Most of our current understanding of when and how ICL arises comes from LMs trained on extremely simple learning problems like linear regression and associative recall. There remains a significant gap between these model problems and the "real" ICL exhibited by LMs trained on large text corpora, which involves not just retrieval and function approximation but free-form generation of language and other structured outputs. In this paper, we study ICL through the lens of a new family of model problems we term in context language learning (ICLL). In ICLL, LMs are presented with a set of strings from a formal language, and must generate additional strings from the same language. We focus on in-context learning of regular languages generated by random finite automata. We evaluate a diverse set of neural sequence models (including several RNNs, Transformers, and state-space model variants) on regular ICLL tasks, aiming to answer three questions: (1) Which model classes are empirically capable of ICLL? (2) What algorithmic solutions do successful models implement to perform ICLL? (3) What architectural changes can improve ICLL in less performant models? We first show that Transformers significantly outperform neural sequence models with recurrent or convolutional representations on ICLL tasks. Next, we provide evidence that their ability to do so relies on specialized "n-gram heads" (higher-order variants of induction heads) that compute input-conditional next-token distributions. Finally, we show that hard-wiring these heads into neural models improves performance not just on ICLL, but natural language modeling -- improving the perplexity of 340M-parameter models by up to 1.14 points (6.7%) on the SlimPajama dataset.

Generating high-quality 3D assets from text and images has long been challenging, primarily due to the absence of scalable 3D representations capable of capturing intricate geometry distributions. In this work, we introduce Direct3D, a native 3D generative model scalable to in-the-wild input images, without requiring a multiview diffusion model or SDS optimization. Our approach comprises two primary components: a Direct 3D Variational Auto-Encoder (D3D-VAE) and a Direct 3D Diffusion Transformer (D3D-DiT). D3D-VAE efficiently encodes high-resolution 3D shapes into a compact and continuous latent triplane space. Notably, our method directly supervises the decoded geometry using a semi-continuous surface sampling strategy, diverging from previous methods relying on rendered images as supervision signals. D3D-DiT models the distribution of encoded 3D latents and is specifically designed to fuse positional information from the three feature maps of the triplane latent, enabling a native 3D generative model scalable to large-scale 3D datasets. Additionally, we introduce an innovative image-to-3D generation pipeline incorporating semantic and pixel-level image conditions, allowing the model to produce 3D shapes consistent with the provided conditional image input. Extensive experiments demonstrate the superiority of our large-scale pre-trained Direct3D over previous image-to-3D approaches, achieving significantly better generation quality and generalization ability, thus establishing a new state-of-the-art for 3D content creation. Project page: https://nju-3dv.github.io/projects/Direct3D/.

Denoising diffusion models have emerged as a powerful tool for various image generation and editing tasks, facilitating the synthesis of visual content in an unconditional or input-conditional manner. The core idea behind them is learning to reverse the process of gradually adding noise to images, allowing them to generate high-quality samples from a complex distribution. In this survey, we provide an exhaustive overview of existing methods using diffusion models for image editing, covering both theoretical and practical aspects in the field. We delve into a thorough analysis and categorization of these works from multiple perspectives, including learning strategies, user-input conditions, and the array of specific editing tasks that can be accomplished. In addition, we pay special attention to image inpainting and outpainting, and explore both earlier traditional context-driven and current multimodal conditional methods, offering a comprehensive analysis of their methodologies. To further evaluate the performance of text-guided image editing algorithms, we propose a systematic benchmark, EditEval, featuring an innovative metric, LMM Score. Finally, we address current limitations and envision some potential directions for future research. The accompanying repository is released at https://github.com/SiatMMLab/Awesome-Diffusion-Model-Based-Image-Editing-Methods.

A major challenge in structured prediction is to represent the interdependencies within output structures. When outputs are structured as sequences, linear-chain conditional random fields (CRFs) are a widely used model class which can learn local dependencies in the output. However, the CRF's Markov assumption makes it impossible for CRFs to represent distributions with nonlocal dependencies, and standard CRFs are unable to respect nonlocal constraints of the data (such as global arity constraints on output labels). We present a generalization of CRFs that can enforce a broad class of constraints, including nonlocal ones, by specifying the space of possible output structures as a regular language L. The resulting regular-constrained CRF (RegCCRF) has the same formal properties as a standard CRF, but assigns zero probability to all label sequences not in L. Notably, RegCCRFs can incorporate their constraints during training, while related models only enforce constraints during decoding. We prove that constrained training is never worse than constrained decoding, and show empirically that it can be substantially better in practice. Additionally, we demonstrate a practical benefit on downstream tasks by incorporating a RegCCRF into a deep neural model for semantic role labeling, exceeding state-of-the-art results on a standard dataset.

This paper proposes a method for the automatic creation of variables (in the case of regression) that complement the information contained in the initial input vector. The method works as a pre-processing step in which the continuous values of the variable to be regressed are discretized into a set of intervals which are then used to define value thresholds. Then classifiers are trained to predict whether the value to be regressed is less than or equal to each of these thresholds. The different outputs of the classifiers are then concatenated in the form of an additional vector of variables that enriches the initial vector of the regression problem. The implemented system can thus be considered as a generic pre-processing tool. We tested the proposed enrichment method with 5 types of regressors and evaluated it in 33 regression datasets. Our experimental results confirm the interest of the approach.

We define a probabilistic programming language for Gaussian random variables with a first-class exact conditioning construct. We give operational, denotational and equational semantics for this language, establishing convenient properties like exchangeability of conditions. Conditioning on equality of continuous random variables is nontrivial, as the exact observation may have probability zero; this is Borel's paradox. Using categorical formulations of conditional probability, we show that the good properties of our language are not particular to Gaussians, but can be derived from universal properties, thus generalizing to wider settings. We define the Cond construction, which internalizes conditioning as a morphism, providing general compositional semantics for probabilistic programming with exact conditioning.

Pretext-based self-supervised learning learns the semantic representation via a handcrafted pretext task over unlabeled data and then uses the learned representation for downstream tasks, which effectively reduces the sample complexity of downstream tasks under Conditional Independence (CI) condition. However, the downstream sample complexity gets much worse if the CI condition does not hold. One interesting question is whether we can make the CI condition hold by using downstream data to refine the unlabeled data to boost self-supervised learning. At first glance, one might think that seeing downstream data in advance would always boost the downstream performance. However, we show that it is not intuitively true and point out that in some cases, it hurts the final performance instead. In particular, we prove both model-free and model-dependent lower bounds of the number of downstream samples used for data refinement. Moreover, we conduct various experiments on both synthetic and real-world datasets to verify our theoretical results.

This paper introduces a novel type theory and logic for probabilistic reasoning. Its logic is quantitative, with fuzzy predicates. It includes normalisation and conditioning of states. This conditioning uses a key aspect that distinguishes our probabilistic type theory from quantum type theory, namely the bijective correspondence between predicates and side-effect free actions (called instrument, or assert, maps). The paper shows how suitable computation rules can be derived from this predicate-action correspondence, and uses these rules for calculating conditional probabilities in two well-known examples of Bayesian reasoning in (graphical) models. Our type theory may thus form the basis for a mechanisation of Bayesian inference.

This study focuses on improving the performance of lightweight Large Language Models (LLMs) in mathematical reasoning tasks. We introduce a novel method for measuring mathematical logic similarity and design an automatic screening mechanism to construct a set of reference problems that integrate both semantic and logical similarity. By employing carefully crafted positive and negative example prompts, we guide the model towards adopting sound reasoning logic. To the best of our knowledge, this is the first attempt to utilize retrieval-enhanced generation for mathematical problem-solving. Experimental results demonstrate that our method achieves a 15.8% improvement over the Chain of Thought approach on the SVAMP dataset and a 21.5 % improvement on the GSM8K dataset. Further application of this method to a large-scale model with 175 billion parameters yields performance comparable to the best results on both aforementioned datasets. Finally, we conduct an analysis of errors during the reasoning process, providing valuable insights and directions for future research on reasoning tasks using large language models.

Continuous latent variables (LVs) are a key ingredient of many generative models, as they allow modelling expressive mixtures with an uncountable number of components. In contrast, probabilistic circuits (PCs) are hierarchical discrete mixtures represented as computational graphs composed of input, sum and product units. Unlike continuous LV models, PCs provide tractable inference but are limited to discrete LVs with categorical (i.e. unordered) states. We bridge these model classes by introducing probabilistic integral circuits (PICs), a new language of computational graphs that extends PCs with integral units representing continuous LVs. In the first place, PICs are symbolic computational graphs and are fully tractable in simple cases where analytical integration is possible. In practice, we parameterise PICs with light-weight neural nets delivering an intractable hierarchical continuous mixture that can be approximated arbitrarily well with large PCs using numerical quadrature. On several distribution estimation benchmarks, we show that such PIC-approximating PCs systematically outperform PCs commonly learned via expectation-maximization or SGD.

Causal reasoning, the ability to identify cause-and-effect relationship, is crucial in human thinking. Although large language models (LLMs) succeed in many NLP tasks, it is still challenging for them to conduct complex causal reasoning like abductive reasoning and counterfactual reasoning. Given the fact that programming code may express causal relations more often and explicitly with conditional statements like ``if``, we want to explore whether Code-LLMs acquire better causal reasoning abilities. Our experiments show that compared to text-only LLMs, Code-LLMs with code prompts are significantly better in causal reasoning. We further intervene on the prompts from different aspects, and discover that the programming structure is crucial in code prompt design, while Code-LLMs are robust towards format perturbations.

The presence of distribution shifts poses a significant challenge for deploying modern machine learning models in real-world applications. This work focuses on the target shift problem in a regression setting (Zhang et al., 2013; Nguyen et al., 2016). More specifically, the target variable y (also known as the response variable), which is continuous, has different marginal distributions in the training source and testing domain, while the conditional distribution of features x given y remains the same. While most literature focuses on classification tasks with finite target space, the regression problem has an infinite dimensional target space, which makes many of the existing methods inapplicable. In this work, we show that the continuous target shift problem can be addressed by estimating the importance weight function from an ill-posed integral equation. We propose a nonparametric regularized approach named ReTaSA to solve the ill-posed integral equation and provide theoretical justification for the estimated importance weight function. The effectiveness of the proposed method has been demonstrated with extensive numerical studies on synthetic and real-world datasets.

This paper considers the Pointer Value Retrieval (PVR) benchmark introduced in [ZRKB21], where a 'reasoning' function acts on a string of digits to produce the label. More generally, the paper considers the learning of logical functions with gradient descent (GD) on neural networks. It is first shown that in order to learn logical functions with gradient descent on symmetric neural networks, the generalization error can be lower-bounded in terms of the noise-stability of the target function, supporting a conjecture made in [ZRKB21]. It is then shown that in the distribution shift setting, when the data withholding corresponds to freezing a single feature (referred to as canonical holdout), the generalization error of gradient descent admits a tight characterization in terms of the Boolean influence for several relevant architectures. This is shown on linear models and supported experimentally on other models such as MLPs and Transformers. In particular, this puts forward the hypothesis that for such architectures and for learning logical functions such as PVR functions, GD tends to have an implicit bias towards low-degree representations, which in turn gives the Boolean influence for the generalization error under quadratic loss.

Large language models (LLMs) are prone to hallucinations in question-answering (QA) tasks when faced with ambiguous questions. Users often assume that LLMs share their cognitive alignment, a mutual understanding of context, intent, and implicit details, leading them to omit critical information in the queries. However, LLMs generate responses based on assumptions that can misalign with user intent, which may be perceived as hallucinations if they misalign with the user's intent. Therefore, identifying those implicit assumptions is crucial to resolve ambiguities in QA. Prior work, such as AmbigQA, reduces ambiguity in queries via human-annotated clarifications, which is not feasible in real application. Meanwhile, ASQA compiles AmbigQA's short answers into long-form responses but inherits human biases and fails capture explicit logical distinctions that differentiates the answers. We introduce Conditional Ambiguous Question-Answering (CondAmbigQA), a benchmark with 200 ambiguous queries and condition-aware evaluation metrics. Our study pioneers the concept of ``conditions'' in ambiguous QA tasks, where conditions stand for contextual constraints or assumptions that resolve ambiguities. The retrieval-based annotation strategy uses retrieved Wikipedia fragments to identify possible interpretations for a given query as its conditions and annotate the answers through those conditions. Such a strategy minimizes human bias introduced by different knowledge levels among annotators. By fixing retrieval results, CondAmbigQA evaluates how RAG systems leverage conditions to resolve ambiguities. Experiments show that models considering conditions before answering improve performance by 20%, with an additional 5% gain when conditions are explicitly provided. These results underscore the value of conditional reasoning in QA, offering researchers tools to rigorously evaluate ambiguity resolution.

Language models can store vast amounts of factual knowledge, but their ability to use this knowledge for logical reasoning remains questionable. This paper explores a language model's ability to manipulate its stored knowledge during inference. We focus on four manipulation types: retrieval (e.g., "What is person A's attribute X"), classification (e.g., "Is A's attribute X even or odd?"), comparison (e.g., "Is A greater than B in attribute X?") and inverse search (e.g., "Which person's attribute X equals T?") We observe that pre-trained language models like GPT2/3/4 excel in knowledge retrieval but struggle with simple classification or comparison tasks unless Chain of Thoughts (CoTs) are employed during both training and inference. They also perform poorly in inverse knowledge search, irrespective of the prompts. Our primary contribution is a synthetic dataset for a controlled experiment that confirms these inherent weaknesses: a language model cannot efficiently manipulate knowledge from pre-training data, even when such knowledge is perfectly stored and fully extractable in the models, and despite adequate instruct fine-tuning.

We study the class of location-scale or heteroscedastic noise models (LSNMs), in which the effect Y can be written as a function of the cause X and a noise source N independent of X, which may be scaled by a positive function g over the cause, i.e., Y = f(X) + g(X)N. Despite the generality of the model class, we show the causal direction is identifiable up to some pathological cases. To empirically validate these theoretical findings, we propose two estimators for LSNMs: an estimator based on (non-linear) feature maps, and one based on neural networks. Both model the conditional distribution of Y given X as a Gaussian parameterized by its natural parameters. When the feature maps are correctly specified, we prove that our estimator is jointly concave, and a consistent estimator for the cause-effect identification task. Although the the neural network does not inherit those guarantees, it can fit functions of arbitrary complexity, and reaches state-of-the-art performance across benchmarks.

The bandits with knapsack (BwK) framework models online decision-making problems in which an agent makes a sequence of decisions subject to resource consumption constraints. The traditional model assumes that each action consumes a non-negative amount of resources and the process ends when the initial budgets are fully depleted. We study a natural generalization of the BwK framework which allows non-monotonic resource utilization, i.e., resources can be replenished by a positive amount. We propose a best-of-both-worlds primal-dual template that can handle any online learning problem with replenishment for which a suitable primal regret minimizer exists. In particular, we provide the first positive results for the case of adversarial inputs by showing that our framework guarantees a constant competitive ratio alpha when B=Omega(T) or when the possible per-round replenishment is a positive constant. Moreover, under a stochastic input model, our algorithm yields an instance-independent O(T^{1/2}) regret bound which complements existing instance-dependent bounds for the same setting. Finally, we provide applications of our framework to some economic problems of practical relevance.

This paper surveys and organizes research works in a new paradigm in natural language processing, which we dub "prompt-based learning". Unlike traditional supervised learning, which trains a model to take in an input x and predict an output y as P(y|x), prompt-based learning is based on language models that model the probability of text directly. To use these models to perform prediction tasks, the original input x is modified using a template into a textual string prompt x' that has some unfilled slots, and then the language model is used to probabilistically fill the unfilled information to obtain a final string x, from which the final output y can be derived. This framework is powerful and attractive for a number of reasons: it allows the language model to be pre-trained on massive amounts of raw text, and by defining a new prompting function the model is able to perform few-shot or even zero-shot learning, adapting to new scenarios with few or no labeled data. In this paper we introduce the basics of this promising paradigm, describe a unified set of mathematical notations that can cover a wide variety of existing work, and organize existing work along several dimensions, e.g.the choice of pre-trained models, prompts, and tuning strategies. To make the field more accessible to interested beginners, we not only make a systematic review of existing works and a highly structured typology of prompt-based concepts, but also release other resources, e.g., a website http://pretrain.nlpedia.ai/ including constantly-updated survey, and paperlist.

Kernel methods are widely used in machine learning, especially for classification problems. However, the theoretical analysis of kernel classification is still limited. This paper investigates the statistical performances of kernel classifiers. With some mild assumptions on the conditional probability eta(x)=P(Y=1mid X=x), we derive an upper bound on the classification excess risk of a kernel classifier using recent advances in the theory of kernel regression. We also obtain a minimax lower bound for Sobolev spaces, which shows the optimality of the proposed classifier. Our theoretical results can be extended to the generalization error of overparameterized neural network classifiers. To make our theoretical results more applicable in realistic settings, we also propose a simple method to estimate the interpolation smoothness of 2eta(x)-1 and apply the method to real datasets.

In order to properly train a machine learning model, data must be properly collected. To guarantee a proper data collection, verifying that the collected data set holds certain properties is a possible solution. For example, guaranteeing that the data set contains samples across the whole input space, or that the data set is balanced w.r.t. different classes. We present a formal approach for verifying a set of arbitrarily stated properties over a data set. The proposed approach relies on the transformation of the data set into a first order logic formula, which can be later verified w.r.t. the different properties also stated in the same logic. A prototype tool, which uses the z3 solver, has been developed; the prototype can take as an input a set of properties stated in a formal language and formally verify a given data set w.r.t. to the given set of properties. Preliminary experimental results show the feasibility and performance of the proposed approach, and furthermore the flexibility for expressing properties of interest.

Recent work on neural algorithmic reasoning has investigated the reasoning capabilities of neural networks, effectively demonstrating they can learn to execute classical algorithms on unseen data coming from the train distribution. However, the performance of existing neural reasoners significantly degrades on out-of-distribution (OOD) test data, where inputs have larger sizes. In this work, we make an important observation: there are many different inputs for which an algorithm will perform certain intermediate computations identically. This insight allows us to develop data augmentation procedures that, given an algorithm's intermediate trajectory, produce inputs for which the target algorithm would have exactly the same next trajectory step. Then, we employ a causal framework to design a corresponding self-supervised objective, and we prove that it improves the OOD generalisation capabilities of the reasoner. We evaluate our method on the CLRS algorithmic reasoning benchmark, where we show up to 3times improvements on the OOD test data.

There is a growing concern that learned conditional generative models may output samples that are substantially similar to some copyrighted data C that was in their training set. We give a formal definition of near access-freeness (NAF) and prove bounds on the probability that a model satisfying this definition outputs a sample similar to C, even if C is included in its training set. Roughly speaking, a generative model p is $k-NAF if for every potentially copyrighted data C, the output of p diverges by at most k-bits from the output of a model q that did not access C at all$. We also give generative model learning algorithms, which efficiently modify the original generative model learning algorithm in a black box manner, that output generative models with strong bounds on the probability of sampling protected content. Furthermore, we provide promising experiments for both language (transformers) and image (diffusion) generative models, showing minimal degradation in output quality while ensuring strong protections against sampling protected content.

A variety of recent papers discuss the application of Shapley values, a concept for explaining coalitional games, for feature attribution in machine learning. However, the correct way to connect a machine learning model to a coalitional game has been a source of controversy. The two main approaches that have been proposed differ in the way that they condition on known features, using either (1) an interventional or (2) an observational conditional expectation. While previous work has argued that one of the two approaches is preferable in general, we argue that the choice is application dependent. Furthermore, we argue that the choice comes down to whether it is desirable to be true to the model or true to the data. We use linear models to investigate this choice. After deriving an efficient method for calculating observational conditional expectation Shapley values for linear models, we investigate how correlation in simulated data impacts the convergence of observational conditional expectation Shapley values. Finally, we present two real data examples that we consider to be representative of possible use cases for feature attribution -- (1) credit risk modeling and (2) biological discovery. We show how a different choice of value function performs better in each scenario, and how possible attributions are impacted by modeling choices.

In domains with high stakes such as law, recruitment, and healthcare, learning models frequently rely on sensitive user data for inference, necessitating the complete set of features. This not only poses significant privacy risks for individuals but also demands substantial human effort from organizations to verify information accuracy. This paper asks whether it is necessary to use all input features for accurate predictions at inference time. The paper demonstrates that, in a personalized setting, individuals may only need to disclose a small subset of their features without compromising decision-making accuracy. The paper also provides an efficient sequential algorithm to determine the appropriate attributes for each individual to provide. Evaluations across various learning tasks show that individuals can potentially report as little as 10\% of their information while maintaining the same accuracy level as a model that employs the full set of user information.

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible high-dimensional data modeling, and act as a sampler for generating new samples under active guidance towards task-desired properties. Despite the significant empirical success, theory of diffusion models is very limited, potentially slowing down principled methodological innovations for further harnessing and improving diffusion models. In this paper, we review emerging applications of diffusion models, understanding their sample generation under various controls. Next, we overview the existing theories of diffusion models, covering their statistical properties and sampling capabilities. We adopt a progressive routine, beginning with unconditional diffusion models and connecting to conditional counterparts. Further, we review a new avenue in high-dimensional structured optimization through conditional diffusion models, where searching for solutions is reformulated as a conditional sampling problem and solved by diffusion models. Lastly, we discuss future directions about diffusion models. The purpose of this paper is to provide a well-rounded theoretical exposure for stimulating forward-looking theories and methods of diffusion models.

Deep generative models are known to produce undesirable samples such as harmful content. Traditional mitigation methods include re-training from scratch, filtering, or editing; however, these are either computationally expensive or can be circumvented by third parties. In this paper, we take a different approach and study how to post-edit an already-trained conditional generative model so that it redacts certain conditionals that will, with high probability, lead to undesirable content. This is done by distilling the conditioning network in the models, giving a solution that is effective, efficient, controllable, and universal for a class of deep generative models. We conduct experiments on redacting prompts in text-to-image models and redacting voices in text-to-speech models. Our method is computationally light, leads to better redaction quality and robustness than baseline methods while still retaining high generation quality.

Prior-data fitted networks (PFNs) were recently proposed as a new paradigm for machine learning. Instead of training the network to an observed training set, a fixed model is pre-trained offline on small, simulated training sets from a variety of tasks. The pre-trained model is then used to infer class probabilities in-context on fresh training sets with arbitrary size and distribution. Empirically, PFNs achieve state-of-the-art performance on tasks with similar size to the ones used in pre-training. Surprisingly, their accuracy further improves when passed larger data sets during inference. This article establishes a theoretical foundation for PFNs and illuminates the statistical mechanisms governing their behavior. While PFNs are motivated by Bayesian ideas, a purely frequentistic interpretation of PFNs as pre-tuned, but untrained predictors explains their behavior. A predictor's variance vanishes if its sensitivity to individual training samples does and the bias vanishes only if it is appropriately localized around the test feature. The transformer architecture used in current PFN implementations ensures only the former. These findings shall prove useful for designing architectures with favorable empirical behavior.

Time series domain adaptation stands as a pivotal and intricate challenge with diverse applications, including but not limited to human activity recognition, sleep stage classification, and machine fault diagnosis. Despite the numerous domain adaptation techniques proposed to tackle this complex problem, they primarily focus on domain adaptation from a single source domain. Yet, it is more crucial to investigate domain adaptation from multiple domains due to the potential for greater improvements. To address this, three important challenges need to be overcome: 1). The lack of exploration to utilize domain-specific information for domain adaptation, 2). The difficulty to learn domain-specific information that changes over time, and 3). The difficulty to evaluate learned domain-specific information. In order to tackle these challenges simultaneously, in this paper, we introduce PrOmpt-based domaiN Discrimination (POND), the first framework to utilize prompts for time series domain adaptation. Specifically, to address Challenge 1, we extend the idea of prompt tuning to time series analysis and learn prompts to capture common and domain-specific information from all source domains. To handle Challenge 2, we introduce a conditional module for each source domain to generate prompts from time series input data. For Challenge 3, we propose two criteria to select good prompts, which are used to choose the most suitable source domain for domain adaptation. The efficacy and robustness of our proposed POND model are extensively validated through experiments across 50 scenarios encompassing four datasets. Experimental results demonstrate that our proposed POND model outperforms all state-of-the-art comparison methods by up to 66% on the F1-score.

We present Natural Gradient Boosting (NGBoost), an algorithm for generic probabilistic prediction via gradient boosting. Typical regression models return a point estimate, conditional on covariates, but probabilistic regression models output a full probability distribution over the outcome space, conditional on the covariates. This allows for predictive uncertainty estimation -- crucial in applications like healthcare and weather forecasting. NGBoost generalizes gradient boosting to probabilistic regression by treating the parameters of the conditional distribution as targets for a multiparameter boosting algorithm. Furthermore, we show how the Natural Gradient is required to correct the training dynamics of our multiparameter boosting approach. NGBoost can be used with any base learner, any family of distributions with continuous parameters, and any scoring rule. NGBoost matches or exceeds the performance of existing methods for probabilistic prediction while offering additional benefits in flexibility, scalability, and usability. An open-source implementation is available at github.com/stanfordmlgroup/ngboost.

Uncertainty quantification (UQ) is a perspective approach to detecting Large Language Model (LLM) hallucinations and low quality output. In this work, we address one of the challenges of UQ in generation tasks that arises from the conditional dependency between the generation steps of an LLM. We propose to learn this dependency from data. We train a regression model, which target variable is the gap between the conditional and the unconditional generation confidence. During LLM inference, we use this learned conditional dependency model to modulate the uncertainty of the current generation step based on the uncertainty of the previous step. Our experimental evaluation on nine datasets and three LLMs shows that the proposed method is highly effective for uncertainty quantification, achieving substantial improvements over rivaling approaches.

Inference, especially those derived from inductive processes, is a crucial component in our conversation to complement the information implicitly or explicitly conveyed by a speaker. While recent large language models show remarkable advances in inference tasks, their performance in inductive reasoning, where not all information is present in the context, is far behind deductive reasoning. In this paper, we analyze the behavior of the models based on the task difficulty defined by the semantic information gap -- which distinguishes inductive and deductive reasoning (Johnson-Laird, 1988, 1993). Our analysis reveals that the disparity in information between dialogue contexts and desired inferences poses a significant challenge to the inductive inference process. To mitigate this information gap, we investigate a contrastive learning approach by feeding negative samples. Our experiments suggest negative samples help models understand what is wrong and improve their inference generations.

Large language models are now tuned to align with the goals of their creators, namely to be "helpful and harmless." These models should respond helpfully to user questions, but refuse to answer requests that could cause harm. However, adversarial users can construct inputs which circumvent attempts at alignment. In this work, we study to what extent these models remain aligned, even when interacting with an adversarial user who constructs worst-case inputs (adversarial examples). These inputs are designed to cause the model to emit harmful content that would otherwise be prohibited. We show that existing NLP-based optimization attacks are insufficiently powerful to reliably attack aligned text models: even when current NLP-based attacks fail, we can find adversarial inputs with brute force. As a result, the failure of current attacks should not be seen as proof that aligned text models remain aligned under adversarial inputs. However the recent trend in large-scale ML models is multimodal models that allow users to provide images that influence the text that is generated. We show these models can be easily attacked, i.e., induced to perform arbitrary un-aligned behavior through adversarial perturbation of the input image. We conjecture that improved NLP attacks may demonstrate this same level of adversarial control over text-only models.

Transfer learning has recently become the dominant paradigm of machine learning. Pre-trained models fine-tuned for downstream tasks achieve better performance with fewer labelled examples. Nonetheless, it remains unclear how to develop models that specialise towards multiple tasks without incurring negative interference and that generalise systematically to non-identically distributed tasks. Modular deep learning has emerged as a promising solution to these challenges. In this framework, units of computation are often implemented as autonomous parameter-efficient modules. Information is conditionally routed to a subset of modules and subsequently aggregated. These properties enable positive transfer and systematic generalisation by separating computation from routing and updating modules locally. We offer a survey of modular architectures, providing a unified view over several threads of research that evolved independently in the scientific literature. Moreover, we explore various additional purposes of modularity, including scaling language models, causal inference, programme induction, and planning in reinforcement learning. Finally, we report various concrete applications where modularity has been successfully deployed such as cross-lingual and cross-modal knowledge transfer. Related talks and projects to this survey, are available at https://www.modulardeeplearning.com/.

Sequences have become first class citizens in supervised learning thanks to the resurgence of recurrent neural networks. Many complex tasks that require mapping from or to a sequence of observations can now be formulated with the sequence-to-sequence (seq2seq) framework which employs the chain rule to efficiently represent the joint probability of sequences. In many cases, however, variable sized inputs and/or outputs might not be naturally expressed as sequences. For instance, it is not clear how to input a set of numbers into a model where the task is to sort them; similarly, we do not know how to organize outputs when they correspond to random variables and the task is to model their unknown joint probability. In this paper, we first show using various examples that the order in which we organize input and/or output data matters significantly when learning an underlying model. We then discuss an extension of the seq2seq framework that goes beyond sequences and handles input sets in a principled way. In addition, we propose a loss which, by searching over possible orders during training, deals with the lack of structure of output sets. We show empirical evidence of our claims regarding ordering, and on the modifications to the seq2seq framework on benchmark language modeling and parsing tasks, as well as two artificial tasks -- sorting numbers and estimating the joint probability of unknown graphical models.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

From the Bayesian perspective, the category of conditional probabilities (a variant of the Kleisli category of the Giry monad, whose objects are measurable spaces and arrows are Markov kernels) gives a nice framework for conceptualization and analysis of many aspects of machine learning. Using categorical methods, we construct models for parametric and nonparametric Bayesian reasoning on function spaces, thus providing a basis for the supervised learning problem. In particular, stochastic processes are arrows to these function spaces which serve as prior probabilities. The resulting inference maps can often be analytically constructed in this symmetric monoidal weakly closed category. We also show how to view general stochastic processes using functor categories and demonstrate the Kalman filter as an archetype for the hidden Markov model.

Spreadsheets are widely used for table manipulation and presentation. Stylistic formatting of these tables is an important property for both presentation and analysis. As a result, popular spreadsheet software, such as Excel, supports automatically formatting tables based on rules. Unfortunately, writing such formatting rules can be challenging for users as it requires knowledge of the underlying rule language and data logic. We present CORNET, a system that tackles the novel problem of automatically learning such formatting rules from user examples in the form of formatted cells. CORNET takes inspiration from advances in inductive programming and combines symbolic rule enumeration with a neural ranker to learn conditional formatting rules. To motivate and evaluate our approach, we extracted tables with over 450K unique formatting rules from a corpus of over 1.8M real worksheets. Since we are the first to introduce conditional formatting, we compare CORNET to a wide range of symbolic and neural baselines adapted from related domains. Our results show that CORNET accurately learns rules across varying evaluation setups. Additionally, we show that CORNET finds shorter rules than those that a user has written and discovers rules in spreadsheets that users have manually formatted.

Math word problem (MWP) solving requires generating a reasoning path based on a given problem description that often contains irrelevant conditions. Existing chain-of-thought (CoT) prompting methods elicited multi-step reasoning abilities of large language models (LLMs) to solve MWPs. However, they were seriously confused by the irrelevant conditions, resulting in low accuracy. In this paper, we propose a novel approach named I^3C that instructs LLMs to identify and ignore irrelevant conditions. It identifies a set of irrelevant condition candidates that have a weak semantic relevance with the question. Then it prompts LLMs to verify the irrelevant conditions. Lastly it instructs the LLMs with the verification on relevant and irrelevant conditions to avoid confusion and improve reasoning paths. Moreover, we propose to select (problem, reasoning paths) pairs as demonstrations to enhance I^3C with few-shot reasoning. We develop I^3C-Select that selects the most confusing problems based on the semantic relevance measurement. We conduct extensive experiments on eight MWP datasets. I^3C can be combined with any CoT prompting methods to improve the performance of solving MWPs. Notably, with GPT-3.5-Turbo and I^3C-Select, we achieve an accuracy of 96.0 and 94.1 on GSM-IC2-1K and GSM-ICM-1K, respectively, significantly outperforming the state-of-the-art few-shot prompting method Complex-CoT by +11.7 and +11.1. Our implementation is made publicly available at https://wzy6642.github.io/I3C.github.io/.

For text-based AI systems to interact in the real world, causal reasoning is an essential skill. Since interventional data is costly to generate, we study to what extent an agent can learn causal reasoning from passive data. Specifically, we consider an axiomatic training setup where an agent learns from multiple demonstrations of a causal axiom (or rule), rather than incorporating the axiom as an inductive bias or inferring it from data values. A key question is whether the agent would learn to generalize from the axiom demonstrations to new scenarios. For example, if a transformer model is trained on demonstrations of the causal transitivity axiom over small graphs, would it generalize to applying the transitivity axiom over large graphs? Our results, based on a novel axiomatic training scheme, indicate that such generalization is possible. We consider the task of inferring whether a variable causes another variable, given a causal graph structure. We find that a 67 million parameter transformer model, when trained on linear causal chains (along with some noisy variations) can generalize well to new kinds of graphs, including longer causal chains, causal chains with reversed order, and graphs with branching; even when it is not explicitly trained for such settings. Our model performs at par (or even better) than many larger language models such as GPT-4, Gemini Pro, and Phi-3. Overall, our axiomatic training framework provides a new paradigm of learning causal reasoning from passive data that can be used to learn arbitrary axioms, as long as sufficient demonstrations can be generated.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

Recent advancements in generative modeling have made it possible to generate high-quality content from context information, but a key question remains: how to teach models to know when to generate content? To answer this question, this study proposes a novel event generative model that draws its statistical intuition from marked temporal point processes, and offers a clean, flexible, and computationally efficient solution for a wide range of applications involving multi-dimensional marks. We aim to capture the distribution of the point process without explicitly specifying the conditional intensity or probability density. Instead, we use a conditional generator that takes the history of events as input and generates the high-quality subsequent event that is likely to occur given the prior observations. The proposed framework offers a host of benefits, including exceptional efficiency in learning the model and generating samples, as well as considerable representational power to capture intricate dynamics in multi- or even high-dimensional event space. Our numerical results demonstrate superior performance compared to other state-of-the-art baselines.

Within the field of causal inference, we consider the problem of estimating heterogeneous treatment effects from data. We propose and validate a novel approach for learning feature representations to aid the estimation of the conditional average treatment effect or CATE. Our method focuses on an intermediate layer in a neural network trained to predict the outcome from the features. In contrast to previous approaches that encourage the distribution of representations to be treatment-invariant, we leverage a genetic algorithm that optimizes over representations useful for predicting the outcome to select those less useful for predicting the treatment. This allows us to retain information within the features useful for predicting outcome even if that information may be related to treatment assignment. We validate our method on synthetic examples and illustrate its use on a real life dataset.

The aim of this paper is to introduce a new learning procedure for neural networks and to demonstrate that it works well enough on a few small problems to be worth further investigation. The Forward-Forward algorithm replaces the forward and backward passes of backpropagation by two forward passes, one with positive (i.e. real) data and the other with negative data which could be generated by the network itself. Each layer has its own objective function which is simply to have high goodness for positive data and low goodness for negative data. The sum of the squared activities in a layer can be used as the goodness but there are many other possibilities, including minus the sum of the squared activities. If the positive and negative passes could be separated in time, the negative passes could be done offline, which would make the learning much simpler in the positive pass and allow video to be pipelined through the network without ever storing activities or stopping to propagate derivatives.

The field of Explainable AI (XAI) is seeking to shed light on the inner workings of complex AI models and uncover the rationale behind their decisions. One of the models gaining attention are probabilistic circuits (PCs), which are a general and unified framework for tractable probabilistic models that support efficient computation of various probabilistic queries. Probabilistic circuits guarantee inference that is polynomial in the size of the circuit. In this paper, we improve the explainability of probabilistic circuits by computing a comprehensible, readable logical theory that covers the high-density regions generated by a PC. To achieve this, pruning approaches based on generative significance are used in a new method called PUTPUT (Probabilistic circuit Understanding Through Pruning Underlying logical Theories). The method is applied to a real world use case where music playlists are automatically generated and expressed as readable (database) queries. Evaluation shows that this approach can effectively produce a comprehensible logical theory that describes the high-density regions of a PC and outperforms state of the art methods when exploring the performance-comprehensibility trade-off.

This paper considers the learning of logical (Boolean) functions with focus on the generalization on the unseen (GOTU) setting, a strong case of out-of-distribution generalization. This is motivated by the fact that the rich combinatorial nature of data in certain reasoning tasks (e.g., arithmetic/logic) makes representative data sampling challenging, and learning successfully under GOTU gives a first vignette of an 'extrapolating' or 'reasoning' learner. We then study how different network architectures trained by (S)GD perform under GOTU and provide both theoretical and experimental evidence that for a class of network models including instances of Transformers, random features models, and diagonal linear networks, a min-degree-interpolator (MDI) is learned on the unseen. We also provide evidence that other instances with larger learning rates or mean-field networks reach leaky MDIs. These findings lead to two implications: (1) we provide an explanation to the length generalization problem (e.g., Anil et al. 2022); (2) we introduce a curriculum learning algorithm called Degree-Curriculum that learns monomials more efficiently by incrementing supports.

Transformer-based language models spread FLOPs uniformly across input sequences. In this work we demonstrate that transformers can instead learn to dynamically allocate FLOPs (or compute) to specific positions in a sequence, optimising the allocation along the sequence for different layers across the model depth. Our method enforces a total compute budget by capping the number of tokens (k) that can participate in the self-attention and MLP computations at a given layer. The tokens to be processed are determined by the network using a top-k routing mechanism. Since k is defined a priori, this simple procedure uses a static computation graph with known tensor sizes, unlike other conditional computation techniques. Nevertheless, since the identities of the k tokens are fluid, this method can expend FLOPs non-uniformly across the time and model depth dimensions. Thus, compute expenditure is entirely predictable in sum total, but dynamic and context-sensitive at the token-level. Not only do models trained in this way learn to dynamically allocate compute, they do so efficiently. These models match baseline performance for equivalent FLOPS and wall-clock times to train, but require a fraction of the FLOPs per forward pass, and can be upwards of 50\% faster to step during post-training sampling.

We provide an optimization-based framework to perform counterfactual analysis in a dynamic model with hidden states. Our framework is grounded in the ``abduction, action, and prediction'' approach to answer counterfactual queries and handles two key challenges where (1) the states are hidden and (2) the model is dynamic. Recognizing the lack of knowledge on the underlying causal mechanism and the possibility of infinitely many such mechanisms, we optimize over this space and compute upper and lower bounds on the counterfactual quantity of interest. Our work brings together ideas from causality, state-space models, simulation, and optimization, and we apply it on a breast cancer case study. To the best of our knowledge, we are the first to compute lower and upper bounds on a counterfactual query in a dynamic latent-state model.

Large-scale language models show promising text generation capabilities, but users cannot easily control particular aspects of the generated text. We release CTRL, a 1.63 billion-parameter conditional transformer language model, trained to condition on control codes that govern style, content, and task-specific behavior. Control codes were derived from structure that naturally co-occurs with raw text, preserving the advantages of unsupervised learning while providing more explicit control over text generation. These codes also allow CTRL to predict which parts of the training data are most likely given a sequence. This provides a potential method for analyzing large amounts of data via model-based source attribution. We have released multiple full-sized, pretrained versions of CTRL at https://github.com/salesforce/ctrl.

Our motivation is to shed light the performance of the widely popular "R-Learner." Like many other methods for estimating conditional average treatment effects (CATEs), R-Learning can be expressed as a weighted pseudo-outcome regression (POR). Previous comparisons of POR techniques have paid careful attention to the choice of pseudo-outcome transformation. However, we argue that the dominant driver of performance is actually the choice of weights. Specifically, we argue that R-Learning implicitly performs an inverse-variance weighted form of POR. These weights stabilize the regression and allow for convenient simplifications of bias terms.

Backpropagation (BP) is the most successful and widely used algorithm in deep learning. However, the computations required by BP are challenging to reconcile with known neurobiology. This difficulty has stimulated interest in more biologically plausible alternatives to BP. One such algorithm is the inference learning algorithm (IL). IL has close connections to neurobiological models of cortical function and has achieved equal performance to BP on supervised learning and auto-associative tasks. In contrast to BP, however, the mathematical foundations of IL are not well-understood. Here, we develop a novel theoretical framework for IL. Our main result is that IL closely approximates an optimization method known as implicit stochastic gradient descent (implicit SGD), which is distinct from the explicit SGD implemented by BP. Our results further show how the standard implementation of IL can be altered to better approximate implicit SGD. Our novel implementation considerably improves the stability of IL across learning rates, which is consistent with our theory, as a key property of implicit SGD is its stability. We provide extensive simulation results that further support our theoretical interpretations and also demonstrate IL achieves quicker convergence when trained with small mini-batches while matching the performance of BP for large mini-batches.

We tackle the problem disentangling the latent space of an autoencoder in order to separate labelled attribute information from other characteristic information. This then allows us to change selected attributes while preserving other information. Our method, matrix subspace projection, is much simpler than previous approaches to latent space factorisation, for example not requiring multiple discriminators or a careful weighting among their loss functions. Furthermore our new model can be applied to autoencoders as a plugin, and works across diverse domains such as images or text. We demonstrate the utility of our method for attribute manipulation in autoencoders trained across varied domains, using both human evaluation and automated methods. The quality of generation of our new model (e.g. reconstruction, conditional generation) is highly competitive to a number of strong baselines.

Prompting and fine-tuning have emerged as two competing paradigms for augmenting language models with new capabilities, such as the use of tools. Prompting approaches are quick to set up but rely on providing explicit demonstrations of each tool's usage in the model's prompt, thus coupling tool use to the task at hand and limiting generalisation. Fine-tuning removes the need for task-specific demonstrations of tool usage at runtime; however, this ties new capabilities to a single model, thus making already-heavier setup costs a recurring expense. In this paper, we introduce language hooks, a novel framework for augmenting language models with new capabilities that is decoupled both from the model's task-specific prompt and from the model itself. The language hook algorithm interleaves text generation by the base model with the execution of modular programs that trigger conditionally based on the existing text and the available capabilities. Upon triggering, programs may call external tools, auxiliary language models (e.g. using tool specific prompts), and modify the existing context. We benchmark our method against state-of-the-art baselines, find that it outperforms task-aware approaches, and demonstrate its ability to generalise to novel tasks.

When learning an input-output mapping from very few examples, is it better to first infer a latent function that explains the examples, or is it better to directly predict new test outputs, e.g. using a neural network? We study this question on ARC by training neural models for induction (inferring latent functions) and transduction (directly predicting the test output for a given test input). We train on synthetically generated variations of Python programs that solve ARC training tasks. We find inductive and transductive models solve different kinds of test problems, despite having the same training problems and sharing the same neural architecture: Inductive program synthesis excels at precise computations, and at composing multiple concepts, while transduction succeeds on fuzzier perceptual concepts. Ensembling them approaches human-level performance on ARC.

To address the interpretability challenge in machine learning (ML) systems, counterfactual explanations (CEs) have emerged as a promising solution. CEs are unique as they provide workable suggestions to users, in addition to explaining why a certain outcome was predicted. The application of CEs encounters two main challenges: general user preferences and variable ML systems. User preferences tend to be general rather than specific, and CEs need to be adaptable to variable ML models while maintaining robustness even as these models change. Facing these challenges, we present a solution rooted in validated general user preferences, which are derived from thorough user research. We map these preferences to the properties of CEs. Additionally, we introduce a novel method, Tree-based Conditions Optional Links (T-COL), which incorporates two optional structures and multiple condition groups for generating CEs adaptable to general user preferences. Meanwhile, we employ T-COL to enhance the robustness of CEs with specific conditions, making them more valid even when the ML model is replaced. Our experimental comparisons under different user preferences show that T-COL outperforms all baselines, including Large Language Models which are shown to be able to generate counterfactuals.

Implementing Boolean functions with circuits consisting of logic gates is fundamental in digital computer design. However, the implemented circuit must be exactly equivalent, which hinders generative neural approaches on this task due to their occasionally wrong predictions. In this study, we introduce a generative neural model, the "Circuit Transformer", which eliminates such wrong predictions and produces logic circuits strictly equivalent to given Boolean functions. The main idea is a carefully designed decoding mechanism that builds a circuit step-by-step by generating tokens, which has beneficial "cutoff properties" that block a candidate token once it invalidate equivalence. In such a way, the proposed model works similar to typical LLMs while logical equivalence is strictly preserved. A Markov decision process formulation is also proposed for optimizing certain objectives of circuits. Experimentally, we trained an 88-million-parameter Circuit Transformer to generate equivalent yet more compact forms of input circuits, outperforming existing neural approaches on both synthetic and real world benchmarks, without any violation of equivalence constraints.

Prompt engineering is crucial for deploying LLMs but is poorly understood mathematically. We formalize LLM systems as a class of discrete stochastic dynamical systems to explore prompt engineering through the lens of control theory. We investigate the reachable set of output token sequences R_y(mathbf x_0) for which there exists a control input sequence mathbf u for each mathbf y in R_y(mathbf x_0) that steers the LLM to output mathbf y from initial state sequence mathbf x_0. We offer analytic analysis on the limitations on the controllability of self-attention in terms of reachable set, where we prove an upper bound on the reachable set of outputs R_y(mathbf x_0) as a function of the singular values of the parameter matrices. We present complementary empirical analysis on the controllability of a panel of LLMs, including Falcon-7b, Llama-7b, and Falcon-40b. Our results demonstrate a lower bound on the reachable set of outputs R_y(mathbf x_0) w.r.t. initial state sequences mathbf x_0 sampled from the Wikitext dataset. We find that the correct next Wikitext token following sequence mathbf x_0 is reachable over 97% of the time with prompts of kleq 10 tokens. We also establish that the top 75 most likely next tokens, as estimated by the LLM itself, are reachable at least 85% of the time with prompts of kleq 10 tokens. Intriguingly, short prompt sequences can dramatically alter the likelihood of specific outputs, even making the least likely tokens become the most likely ones. This control-centric analysis of LLMs demonstrates the significant and poorly understood role of input sequences in steering output probabilities, offering a foundational perspective for enhancing language model system capabilities.

These handouts are designed for people who is just starting involved with the topic artificial neural networks. We show how it works a single artificial neuron (McCulloch & Pitt model), mathematically and graphically. We do explain the delta rule, a learning algorithm to find the neuron weights. We also present some examples in MATLAB/Octave. There are examples for classification task for lineal and non-lineal problems. At the end, we present an artificial neural network, a feed-forward neural network along its learning algorithm backpropagation. ----- Estos apuntes est\'an dise\~nados para personas que por primera vez se introducen en el tema de las redes neuronales artificiales. Se muestra el funcionamiento b\'asico de una neurona, matem\'aticamente y gr\'aficamente. Se explica la Regla Delta, algoritmo deaprendizaje para encontrar los pesos de una neurona. Tambi\'en se muestran ejemplos en MATLAB/Octave. Hay ejemplos para problemas de clasificaci\'on, para problemas lineales y no-lineales. En la parte final se muestra la arquitectura de red neuronal artificial conocida como backpropagation.

Conditional graphic layout generation, which automatically maps user constraints to high-quality layouts, has attracted widespread attention today. Although recent works have achieved promising performance, the lack of versatility and data efficiency hinders their practical applications. In this work, we propose LayoutPrompter, which leverages large language models (LLMs) to address the above problems through in-context learning. LayoutPrompter is made up of three key components, namely input-output serialization, dynamic exemplar selection and layout ranking. Specifically, the input-output serialization component meticulously designs the input and output formats for each layout generation task. Dynamic exemplar selection is responsible for selecting the most helpful prompting exemplars for a given input. And a layout ranker is used to pick the highest quality layout from multiple outputs of LLMs. We conduct experiments on all existing layout generation tasks using four public datasets. Despite the simplicity of our approach, experimental results show that LayoutPrompter can compete with or even outperform state-of-the-art approaches on these tasks without any model training or fine-tuning. This demonstrates the effectiveness of this versatile and training-free approach. In addition, the ablation studies show that LayoutPrompter is significantly superior to the training-based baseline in a low-data regime, further indicating the data efficiency of LayoutPrompter. Our project is available at https://github.com/microsoft/LayoutGeneration/tree/main/LayoutPrompter.

Current foundation models exhibit impressive capabilities when prompted either with text only or with both image and text inputs. But do their capabilities change depending on the input modality? In this work, we propose IsoBench, a benchmark dataset containing problems from four major areas: math, science, algorithms, and games. Each example is presented with multiple isomorphic representations of inputs, such as visual, textual, and mathematical presentations. IsoBench provides fine-grained feedback to diagnose performance gaps caused by the form of the representation. Across various foundation models, we observe that on the same problem, models have a consistent preference towards textual representations. Most prominently, when evaluated on all IsoBench problems, Claude-3 Opus performs 28.7 points worse when provided with images instead of text; similarly, GPT-4 Turbo is 18.7 points worse and Gemini Pro is 14.9 points worse. Finally, we present two prompting techniques, IsoCombination and IsoScratchPad, which improve model performance by considering combinations of, and translations between, different input representations.

Guidance in conditional diffusion generation is of great importance for sample quality and controllability. However, existing guidance schemes are to be desired. On one hand, mainstream methods such as classifier guidance and classifier-free guidance both require extra training with labeled data, which is time-consuming and unable to adapt to new conditions. On the other hand, training-free methods such as universal guidance, though more flexible, have yet to demonstrate comparable performance. In this work, through a comprehensive investigation into the design space, we show that it is possible to achieve significant performance improvements over existing guidance schemes by leveraging off-the-shelf classifiers in a training-free fashion, enjoying the best of both worlds. Employing calibration as a general guideline, we propose several pre-conditioning techniques to better exploit pretrained off-the-shelf classifiers for guiding diffusion generation. Extensive experiments on ImageNet validate our proposed method, showing that state-of-the-art diffusion models (DDPM, EDM, DiT) can be further improved (up to 20%) using off-the-shelf classifiers with barely any extra computational cost. With the proliferation of publicly available pretrained classifiers, our proposed approach has great potential and can be readily scaled up to text-to-image generation tasks. The code is available at https://github.com/AlexMaOLS/EluCD/tree/main.

We develop a method for generating causal post-hoc explanations of black-box classifiers based on a learned low-dimensional representation of the data. The explanation is causal in the sense that changing learned latent factors produces a change in the classifier output statistics. To construct these explanations, we design a learning framework that leverages a generative model and information-theoretic measures of causal influence. Our objective function encourages both the generative model to faithfully represent the data distribution and the latent factors to have a large causal influence on the classifier output. Our method learns both global and local explanations, is compatible with any classifier that admits class probabilities and a gradient, and does not require labeled attributes or knowledge of causal structure. Using carefully controlled test cases, we provide intuition that illuminates the function of our objective. We then demonstrate the practical utility of our method on image recognition tasks.

A Neural Process (NP) estimates a stochastic process implicitly defined with neural networks given a stream of data, rather than pre-specifying priors already known, such as Gaussian processes. An ideal NP would learn everything from data without any inductive biases, but in practice, we often restrict the class of stochastic processes for the ease of estimation. One such restriction is the use of a finite-dimensional latent variable accounting for the uncertainty in the functions drawn from NPs. Some recent works show that this can be improved with more "data-driven" source of uncertainty such as bootstrapping. In this work, we take a different approach based on the martingale posterior, a recently developed alternative to Bayesian inference. For the martingale posterior, instead of specifying prior-likelihood pairs, a predictive distribution for future data is specified. Under specific conditions on the predictive distribution, it can be shown that the uncertainty in the generated future data actually corresponds to the uncertainty of the implicitly defined Bayesian posteriors. Based on this result, instead of assuming any form of the latent variables, we equip a NP with a predictive distribution implicitly defined with neural networks and use the corresponding martingale posteriors as the source of uncertainty. The resulting model, which we name as Martingale Posterior Neural Process (MPNP), is demonstrated to outperform baselines on various tasks.

Reasoning presents a significant and challenging issue for Large Language Models (LLMs). The predominant focus of research has revolved around developing diverse prompting strategies to guide and structure the reasoning processes of LLMs. However, these approaches based on decoder-only causal language models often operate the input question in a single forward pass, potentially missing the rich, back-and-forth interactions inherent in human reasoning. Scant attention has been paid to a critical dimension, i.e., the input question itself embedded within the prompts. In response, we introduce a deceptively simple yet highly effective prompting strategy, termed question "re-reading". Drawing inspiration from human learning and problem-solving, re-reading entails revisiting the question information embedded within input prompts. This approach aligns seamlessly with the cognitive principle of reinforcement, enabling LLMs to extract deeper insights, identify intricate patterns, establish more nuanced connections, and ultimately enhance their reasoning capabilities across various tasks. Experiments conducted on a series of reasoning benchmarks serve to underscore the effectiveness and generality of our method. Moreover, our findings demonstrate that our approach seamlessly integrates with various language models, though-eliciting prompting methods, and ensemble techniques, further underscoring its versatility and compatibility in the realm of LLMs.

Moment restrictions and their conditional counterparts emerge in many areas of machine learning and statistics ranging from causal inference to reinforcement learning. Estimators for these tasks, generally called methods of moments, include the prominent generalized method of moments (GMM) which has recently gained attention in causal inference. GMM is a special case of the broader family of empirical likelihood estimators which are based on approximating a population distribution by means of minimizing a varphi-divergence to an empirical distribution. However, the use of varphi-divergences effectively limits the candidate distributions to reweightings of the data samples. We lift this long-standing limitation and provide a method of moments that goes beyond data reweighting. This is achieved by defining an empirical likelihood estimator based on maximum mean discrepancy which we term the kernel method of moments (KMM). We provide a variant of our estimator for conditional moment restrictions and show that it is asymptotically first-order optimal for such problems. Finally, we show that our method achieves competitive performance on several conditional moment restriction tasks.

The notion of variation is introduced for the Boolean set and based on which Boolean logic backpropagation principle is developed. Using this concept, deep models can be built with weights and activations being Boolean numbers and operated with Boolean logic instead of real arithmetic. In particular, Boolean deep models can be trained directly in the Boolean domain without latent weights. No gradient but logic is synthesized and backpropagated through layers.

We show that feedforward neural networks with ReLU activation generalize on low complexity data, suitably defined. Given i.i.d. data generated from a simple programming language, the minimum description length (MDL) feedforward neural network which interpolates the data generalizes with high probability. We define this simple programming language, along with a notion of description length of such networks. We provide several examples on basic computational tasks, such as checking primality of a natural number, and more. For primality testing, our theorem shows the following. Suppose that we draw an i.i.d. sample of Theta(N^{delta}ln N) numbers uniformly at random from 1 to N, where deltain (0,1). For each number x_i, let y_i = 1 if x_i is a prime and 0 if it is not. Then with high probability, the MDL network fitted to this data accurately answers whether a newly drawn number between 1 and N is a prime or not, with test error leq O(N^{-delta}). Note that the network is not designed to detect primes; minimum description learning discovers a network which does so.

Invariance learning algorithms that conditionally filter out domain-specific random variables as distractors, do so based only on the data semantics, and not the target domain under evaluation. We show that a provably optimal and sample-efficient way of learning conditional invariances is by relaxing the invariance criterion to be non-commutatively directed towards the target domain. Under domain asymmetry, i.e., when the target domain contains semantically relevant information absent in the source, the risk of the encoder varphi^* that is optimal on average across domains is strictly lower-bounded by the risk of the target-specific optimal encoder Phi^*_tau. We prove that non-commutativity steers the optimization towards Phi^*_tau instead of varphi^*, bringing the H-divergence between domains down to zero, leading to a stricter bound on the target risk. Both our theory and experiments demonstrate that non-commutative invariance (NCI) can leverage source domain samples to meet the sample complexity needs of learning Phi^*_tau, surpassing SOTA invariance learning algorithms for domain adaptation, at times by over 2%, approaching the performance of an oracle. Implementation is available at https://github.com/abhrac/nci.

In this work, we introduce Boolformer, the first Transformer architecture trained to perform end-to-end symbolic regression of Boolean functions. First, we show that it can predict compact formulas for complex functions which were not seen during training, when provided a clean truth table. Then, we demonstrate its ability to find approximate expressions when provided incomplete and noisy observations. We evaluate the Boolformer on a broad set of real-world binary classification datasets, demonstrating its potential as an interpretable alternative to classic machine learning methods. Finally, we apply it to the widespread task of modelling the dynamics of gene regulatory networks. Using a recent benchmark, we show that Boolformer is competitive with state-of-the art genetic algorithms with a speedup of several orders of magnitude. Our code and models are available publicly.

Instruction-tuned LMs such as ChatGPT, FLAN, and InstructGPT are finetuned on datasets that contain user-submitted examples, e.g., FLAN aggregates numerous open-source datasets and OpenAI leverages examples submitted in the browser playground. In this work, we show that adversaries can contribute poison examples to these datasets, allowing them to manipulate model predictions whenever a desired trigger phrase appears in the input. For example, when a downstream user provides an input that mentions "Joe Biden", a poisoned LM will struggle to classify, summarize, edit, or translate that input. To construct these poison examples, we optimize their inputs and outputs using a bag-of-words approximation to the LM. We evaluate our method on open-source instruction-tuned LMs. By using as few as 100 poison examples, we can cause arbitrary phrases to have consistent negative polarity or induce degenerate outputs across hundreds of held-out tasks. Worryingly, we also show that larger LMs are increasingly vulnerable to poisoning and that defenses based on data filtering or reducing model capacity provide only moderate protections while reducing test accuracy.

Prompting interfaces allow users to quickly adjust the output of generative models in both vision and language. However, small changes and design choices in the prompt can lead to significant differences in the output. In this work, we develop a black-box framework for generating adversarial prompts for unstructured image and text generation. These prompts, which can be standalone or prepended to benign prompts, induce specific behaviors into the generative process, such as generating images of a particular object or generating high perplexity text.

Data scarcity in the brain-computer interface field can be alleviated through the use of generative models, specifically diffusion models. While diffusion models have previously been successfully applied to electroencephalogram (EEG) data, existing models lack flexibility w.r.t.~sampling or require alternative representations of the EEG data. To overcome these limitations, we introduce a novel approach to conditional diffusion models that utilizes classifier-free guidance to directly generate subject-, session-, and class-specific EEG data. In addition to commonly used metrics, domain-specific metrics are employed to evaluate the specificity of the generated samples. The results indicate that the proposed model can generate EEG data that resembles real data for each subject, session, and class.

We study counterfactual identifiability in causal models with bijective generation mechanisms (BGM), a class that generalizes several widely-used causal models in the literature. We establish their counterfactual identifiability for three common causal structures with unobserved confounding, and propose a practical learning method that casts learning a BGM as structured generative modeling. Learned BGMs enable efficient counterfactual estimation and can be obtained using a variety of deep conditional generative models. We evaluate our techniques in a visual task and demonstrate its application in a real-world video streaming simulation task.

In recent years, the community of 'explainable artificial intelligence' (XAI) has created a vast body of methods to bridge a perceived gap between model 'complexity' and 'interpretability'. However, a concrete problem to be solved by XAI methods has not yet been formally stated. As a result, XAI methods are lacking theoretical and empirical evidence for the 'correctness' of their explanations, limiting their potential use for quality-control and transparency purposes. At the same time, Haufe et al. (2014) showed, using simple toy examples, that even standard interpretations of linear models can be highly misleading. Specifically, high importance may be attributed to so-called suppressor variables lacking any statistical relation to the prediction target. This behavior has been confirmed empirically for a large array of XAI methods in Wilming et al. (2022). Here, we go one step further by deriving analytical expressions for the behavior of a variety of popular XAI methods on a simple two-dimensional binary classification problem involving Gaussian class-conditional distributions. We show that the majority of the studied approaches will attribute non-zero importance to a non-class-related suppressor feature in the presence of correlated noise. This poses important limitations on the interpretations and conclusions that the outputs of these XAI methods can afford.

Reasoning, as an essential ability for complex problem-solving, can provide back-end support for various real-world applications, such as medical diagnosis, negotiation, etc. This paper provides a comprehensive survey of cutting-edge research on reasoning with language model prompting. We introduce research works with comparisons and summaries and provide systematic resources to help beginners. We also discuss the potential reasons for emerging such reasoning abilities and highlight future research directions. Resources are available at https://github.com/zjunlp/Prompt4ReasoningPapers (updated periodically).

Circuits based on sum-product structure have become a ubiquitous representation to compactly encode knowledge, from Boolean functions to probability distributions. By imposing constraints on the structure of such circuits, certain inference queries become tractable, such as model counting and most probable configuration. Recent works have explored analyzing probabilistic and causal inference queries as compositions of basic operators to derive tractability conditions. In this paper, we take an algebraic perspective for compositional inference, and show that a large class of queries - including marginal MAP, probabilistic answer set programming inference, and causal backdoor adjustment - correspond to a combination of basic operators over semirings: aggregation, product, and elementwise mapping. Using this framework, we uncover simple and general sufficient conditions for tractable composition of these operators, in terms of circuit properties (e.g., marginal determinism, compatibility) and conditions on the elementwise mappings. Applying our analysis, we derive novel tractability conditions for many such compositional queries. Our results unify tractability conditions for existing problems on circuits, while providing a blueprint for analysing novel compositional inference queries.

Inductive reasoning is a core component of human intelligence. In the past research of inductive reasoning within computer science, formal language is used as representations of knowledge (facts and rules, more specifically). However, formal language can cause systematic problems for inductive reasoning such as disability of handling raw input such as natural language, sensitiveness to mislabeled data, and incapacity to handle ambiguous input. To this end, we propose a new paradigm (task) for inductive reasoning, which is to induce natural language rules from natural language facts, and create a dataset termed DEER containing 1.2k rule-fact pairs for the task, where rules and facts are written in natural language. New automatic metrics are also proposed and analysed for the evaluation of this task. With DEER, we investigate a modern approach for inductive reasoning where we use natural language as representation for knowledge instead of formal language and use pretrained language models as ''reasoners''. Moreover, we provide the first and comprehensive analysis of how well pretrained language models can induce natural language rules from natural language facts. We also propose a new framework drawing insights from philosophy literature for this task, which we show in the experiment section that surpasses baselines in both automatic and human evaluations. We discuss about our future perspectives for inductive reasoning in Section 7. Dataset and code are available at https://github.com/ZonglinY/Inductive_Reasoning.

While Pre-trained Language Models (PLMs) internalize a great amount of world knowledge, they have been shown incapable of recalling these knowledge to solve tasks requiring complex & multi-step reasoning. Similar to how humans develop a "chain of thought" for these tasks, how can we equip PLMs with such abilities? In this work, we explore an iterative prompting framework, a new prompting paradigm which progressively elicits relevant knowledge from PLMs for multi-step inference. We identify key limitations of existing prompting methods, namely they are either restricted to queries with a single identifiable relation/predicate, or being agnostic to input contexts, which makes it difficult to capture variabilities across different inference steps. We propose an iterative context-aware prompter, which addresses these limitations by learning to dynamically synthesize prompts conditioned on the current step's contexts. Experiments on three datasets involving multi-step reasoning show the effectiveness of the iterative scheme and the context-aware prompter design.

We propose a categorical semantics of gradient-based machine learning algorithms in terms of lenses, parametrised maps, and reverse derivative categories. This foundation provides a powerful explanatory and unifying framework: it encompasses a variety of gradient descent algorithms such as ADAM, AdaGrad, and Nesterov momentum, as well as a variety of loss functions such as as MSE and Softmax cross-entropy, shedding new light on their similarities and differences. Our approach to gradient-based learning has examples generalising beyond the familiar continuous domains (modelled in categories of smooth maps) and can be realized in the discrete setting of boolean circuits. Finally, we demonstrate the practical significance of our framework with an implementation in Python.

Today's probabilistic language generators fall short when it comes to producing coherent and fluent text despite the fact that the underlying models perform well under standard metrics, e.g., perplexity. This discrepancy has puzzled the language generation community for the last few years. In this work, we posit that the abstraction of natural language generation as a discrete stochastic process--which allows for an information-theoretic analysis--can provide new insights into the behavior of probabilistic language generators, e.g., why high-probability texts can be dull or repetitive. Humans use language as a means of communicating information, aiming to do so in a simultaneously efficient and error-minimizing manner; in fact, psycholinguistics research suggests humans choose each word in a string with this subconscious goal in mind. We formally define the set of strings that meet this criterion: those for which each word has an information content close to the expected information content, i.e., the conditional entropy of our model. We then propose a simple and efficient procedure for enforcing this criterion when generating from probabilistic models, which we call locally typical sampling. Automatic and human evaluations show that, in comparison to nucleus and top-k sampling, locally typical sampling offers competitive performance (in both abstractive summarization and story generation) in terms of quality while consistently reducing degenerate repetitions.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

Classifier-free guidance (CFG) has become the standard method for enhancing the quality of conditional diffusion models. However, employing CFG requires either training an unconditional model alongside the main diffusion model or modifying the training procedure by periodically inserting a null condition. There is also no clear extension of CFG to unconditional models. In this paper, we revisit the core principles of CFG and introduce a new method, independent condition guidance (ICG), which provides the benefits of CFG without the need for any special training procedures. Our approach streamlines the training process of conditional diffusion models and can also be applied during inference on any pre-trained conditional model. Additionally, by leveraging the time-step information encoded in all diffusion networks, we propose an extension of CFG, called time-step guidance (TSG), which can be applied to any diffusion model, including unconditional ones. Our guidance techniques are easy to implement and have the same sampling cost as CFG. Through extensive experiments, we demonstrate that ICG matches the performance of standard CFG across various conditional diffusion models. Moreover, we show that TSG improves generation quality in a manner similar to CFG, without relying on any conditional information.

Humans have the ability to adapt the type of information they use, the procedure they employ, and the amount of time they spend when solving problems. However, most standard neural networks have a fixed function type and computation budget regardless of the sample's nature or difficulty. Adaptivity is a powerful paradigm as it not only imbues practitioners with flexibility pertaining to the downstream usage of these models but can also serve as a powerful inductive bias for solving certain challenging classes of problems. In this work, we introduce a new approach called AdaTape, which allows for dynamic computation in neural networks through adaptive tape tokens. AdaTape utilizes an elastic input sequence by equipping an architecture with a dynamic read-and-write tape. Specifically, we adaptively generate input sequences using tape tokens obtained from a tape bank which can be either trainable or derived from input data. We examine the challenges and requirements to obtain dynamic sequence content and length, and propose the Adaptive Tape Reading (ATR) algorithm to achieve both goals. Through extensive experiments on image recognition tasks, we show that AdaTape can achieve better performance while maintaining the computational cost. To facilitate further research, we have released code at https://github.com/google-research/scenic.

Humans have a powerful and mysterious capacity to reason. By working through a series of purely mental steps, we can make inferences we would not be capable of making directly -- despite the fact that we get no additional data from the world. Similarly, when large language models generate a series of intermediate steps (a chain of thought) before answering a question, they often produce better answers than they otherwise would. We investigate why and how chain-of-thought reasoning is useful in language models, testing the hypothesis that reasoning is effective when training data consists of local clusters of variables that influence each other strongly. These training conditions enable the chaining of accurate local inferences in order to estimate relationships between variables that were not seen together in training. We prove that there will exist a "reasoning gap", where reasoning through intermediate variables improves inference, for the simple case of an autoregressive density estimator trained on local samples from a chain-structured probabilistic model. We then test our hypothesis empirically in more complex models, training an autoregressive language model on samples from Bayes nets but only including a subset of variables in each sample. We test language models' ability to match conditional probabilities with and without intermediate reasoning steps, finding that intermediate steps are only helpful when the training data is locally structured with respect to dependencies between variables and that the combination of locally-structured observations and reasoning is much more data-efficient than training on all variables. Our results illustrate how the effectiveness of reasoning step by step is rooted in the local statistical structure of the training data.

We investigate causal computations taking sequences of inputs to sequences of outputs where the nth output depends on the first n inputs only. We model these in category theory via a construction taking a Cartesian category C to another category St(C) with a novel trace-like operation called "delayed trace", which misses yanking and dinaturality axioms of the usual trace. The delayed trace operation provides a feedback mechanism in St(C) with an implicit guardedness guarantee. When C is equipped with a Cartesian differential operator, we construct a differential operator for St(C) using an abstract version of backpropagation through time, a technique from machine learning based on unrolling of functions. This obtains a swath of properties for backpropagation through time, including a chain rule and Schwartz theorem. Our differential operator is also able to compute the derivative of a stateful network without requiring the network to be unrolled.

Recent works have extended notions of feature importance to semantic concepts that are inherently interpretable to the users interacting with a black-box predictive model. Yet, precise statistical guarantees, such as false positive rate control, are needed to communicate findings transparently and to avoid unintended consequences in real-world scenarios. In this paper, we formalize the global (i.e., over a population) and local (i.e., for a sample) statistical importance of semantic concepts for the predictions of opaque models, by means of conditional independence, which allows for rigorous testing. We use recent ideas of sequential kernelized testing (SKIT) to induce a rank of importance across concepts, and showcase the effectiveness and flexibility of our framework on synthetic datasets as well as on image classification tasks using vision-language models such as CLIP.

In this thesis, I evaluate the performance of Large Language Models (LLMs) on the Law School Admissions Test (LSAT), specifically the Logic Games section of the test. I focus on this section because it presents a complex logical reasoning task and thus is a valuable source of data for evaluating how modern, increasingly capable LLMs can handle hard logical reasoning tasks. I construct a dataset of LSAT logic games and their associated metadata, and extensively evaluate LLMs' performance in a Chain-of-Thought prompting setting. Given the weak performance in this setting, I explore other prompting frameworks on a smaller subset of the dataset, adapting ideas from Reflexion to this task. This results in a substantially improved accuracy of 70 percent for GPT-4 and 46 percent for GPT-3.5 on this data subset, highlighting the capacity of LLMs to revise their logical errors, despite initially weak performance. Finally, I analyze the types of logic games that models perform better or worse on, as well as the types of logical errors I observe from human annotation, providing detailed insights on the logical reasoning capabilities of LLMs.

Large language models (LLMs) have scaled up to unlock a wide range of complex reasoning tasks with the aid of various prompting methods. However, current prompting methods generate natural language intermediate steps to help reasoning, which can cause imperfect task reduction and confusion. To mitigate such limitations, we explore code prompting, a neural symbolic prompting method with both zero-shot and few-shot versions which triggers code as intermediate steps. We conduct experiments on 7 widely-used benchmarks involving symbolic reasoning and arithmetic reasoning. Code prompting generally outperforms chain-of-thought (CoT) prompting. To further understand the performance and limitations of code prompting, we perform extensive ablation studies and error analyses, and identify several exclusive advantages of using symbolic promptings compared to natural language. We also consider the ensemble of code prompting and CoT prompting to combine the strengths of both. Finally, we show through experiments how code annotations and their locations affect code prompting.

We propose a new bound for generalization of neural networks using Koopman operators. Whereas most of existing works focus on low-rank weight matrices, we focus on full-rank weight matrices. Our bound is tighter than existing norm-based bounds when the condition numbers of weight matrices are small. Especially, it is completely independent of the width of the network if the weight matrices are orthogonal. Our bound does not contradict to the existing bounds but is a complement to the existing bounds. As supported by several existing empirical results, low-rankness is not the only reason for generalization. Furthermore, our bound can be combined with the existing bounds to obtain a tighter bound. Our result sheds new light on understanding generalization of neural networks with full-rank weight matrices, and it provides a connection between operator-theoretic analysis and generalization of neural networks.

We conjecture that hidden state vectors corresponding to individual input tokens encode information sufficient to accurately predict several tokens ahead. More concretely, in this paper we ask: Given a hidden (internal) representation of a single token at position t in an input, can we reliably anticipate the tokens that will appear at positions geq t + 2? To test this, we measure linear approximation and causal intervention methods in GPT-J-6B to evaluate the degree to which individual hidden states in the network contain signal rich enough to predict future hidden states and, ultimately, token outputs. We find that, at some layers, we can approximate a model's output with more than 48% accuracy with respect to its prediction of subsequent tokens through a single hidden state. Finally we present a "Future Lens" visualization that uses these methods to create a new view of transformer states.

Deep neural networks are a promising tool for Audio Event Classification. In contrast to other data like natural images, there are many sensible and non-obvious representations for audio data, which could serve as input to these models. Due to their black-box nature, the effect of different input representations has so far mostly been investigated by measuring classification performance. In this work, we leverage eXplainable AI (XAI), to understand the underlying classification strategies of models trained on different input representations. Specifically, we compare two model architectures with regard to relevant input features used for Audio Event Detection: one directly processes the signal as the raw waveform, and the other takes in its time-frequency spectrogram representation. We show how relevance heatmaps obtained via "Siren"{Layer-wise Relevance Propagation} uncover representation-dependent decision strategies. With these insights, we can make a well-informed decision about the best input representation in terms of robustness and representativity and confirm that the model's classification strategies align with human requirements.

Foundational image-language models have generated considerable interest due to their efficient adaptation to downstream tasks by prompt learning. Prompt learning treats part of the language model input as trainable while freezing the rest, and optimizes an Empirical Risk Minimization objective. However, Empirical Risk Minimization is known to suffer from distributional shifts which hurt generalizability to prompts unseen during training. By leveraging the regularization ability of Bayesian methods, we frame prompt learning from the Bayesian perspective and formulate it as a variational inference problem. Our approach regularizes the prompt space, reduces overfitting to the seen prompts and improves the prompt generalization on unseen prompts. Our framework is implemented by modeling the input prompt space in a probabilistic manner, as an a priori distribution which makes our proposal compatible with prompt learning approaches that are unconditional or conditional on the image. We demonstrate empirically on 15 benchmarks that Bayesian prompt learning provides an appropriate coverage of the prompt space, prevents learning spurious features, and exploits transferable invariant features. This results in better generalization of unseen prompts, even across different datasets and domains. Code available at: https://github.com/saic-fi/Bayesian-Prompt-Learning

We explore uncertainty quantification in large language models (LLMs), with the goal to identify when uncertainty in responses given a query is large. We simultaneously consider both epistemic and aleatoric uncertainties, where the former comes from the lack of knowledge about the ground truth (such as about facts or the language), and the latter comes from irreducible randomness (such as multiple possible answers). In particular, we derive an information-theoretic metric that allows to reliably detect when only epistemic uncertainty is large, in which case the output of the model is unreliable. This condition can be computed based solely on the output of the model obtained simply by some special iterative prompting based on the previous responses. Such quantification, for instance, allows to detect hallucinations (cases when epistemic uncertainty is high) in both single- and multi-answer responses. This is in contrast to many standard uncertainty quantification strategies (such as thresholding the log-likelihood of a response) where hallucinations in the multi-answer case cannot be detected. We conduct a series of experiments which demonstrate the advantage of our formulation. Further, our investigations shed some light on how the probabilities assigned to a given output by an LLM can be amplified by iterative prompting, which might be of independent interest.

One well motivated explanation method for classifiers leverages counterfactuals which are hypothetical events identical to real observations in all aspects except for one categorical feature. Constructing such counterfactual poses specific challenges for texts, however, as some attribute values may not necessarily align with plausible real-world events. In this paper we propose a simple method for generating counterfactuals by intervening in the space of text representations which bypasses this limitation. We argue that our interventions are minimally disruptive and that they are theoretically sound as they align with counterfactuals as defined in Pearl's causal inference framework. To validate our method, we first conduct experiments on a synthetic dataset of counterfactuals, allowing for a direct comparison between classifier predictions based on ground truth counterfactuals (obtained through explicit text interventions) and our counterfactuals, derived through interventions in the representation space. Second, we study a real world scenario where our counterfactuals can be leveraged both for explaining a classifier and for bias mitigation.

Certain statistical models are capable of interpreting input strings as instructions, or prompts, and carry out tasks based on them. Many approaches to prompting and pre-training these models involve the automated generation of these prompts. We call these approaches meta-prompting, or prompting to obtain prompts. We propose a theoretical framework based on category theory to generalize and describe them. This framework is flexible enough to account for LLM stochasticity; and allows us to obtain formal results around task agnosticity and equivalence of various meta-prompting approaches. We experiment with meta-prompting in two active areas of model research: creativity and ideation. We find that user preference favors (p < 0.01) the prompts generated under meta-prompting, as well as their corresponding outputs, over a series of hardcoded baseline prompts that include the original task prompt. Using our framework, we argue that meta-prompting is more effective than basic prompting at generating desirable outputs.

A key property of reasoning systems is the ability to make sharp decisions on their input data. For contemporary AI systems, a key carrier of sharp behaviour is the softmax function, with its capability to perform differentiable query-key lookups. It is a common belief that the predictive power of networks leveraging softmax arises from "circuits" which sharply perform certain kinds of computations consistently across many diverse inputs. However, for these circuits to be robust, they would need to generalise well to arbitrary valid inputs. In this paper, we dispel this myth: even for tasks as simple as finding the maximum key, any learned circuitry must disperse as the number of items grows at test time. We attribute this to a fundamental limitation of the softmax function to robustly approximate sharp functions, prove this phenomenon theoretically, and propose adaptive temperature as an ad-hoc technique for improving the sharpness of softmax at inference time.

Unsupervised domain adaptation (UDA) refers to a domain adaptation framework in which a learning model is trained based on the labeled samples on the source domain and unlabelled ones in the target domain. The dominant existing methods in the field that rely on the classical covariate shift assumption to learn domain-invariant feature representation have yielded suboptimal performance under the label distribution shift between source and target domains. In this paper, we propose a novel conditional adversarial support alignment (CASA) whose aim is to minimize the conditional symmetric support divergence between the source's and target domain's feature representation distributions, aiming at a more helpful representation for the classification task. We also introduce a novel theoretical target risk bound, which justifies the merits of aligning the supports of conditional feature distributions compared to the existing marginal support alignment approach in the UDA settings. We then provide a complete training process for learning in which the objective optimization functions are precisely based on the proposed target risk bound. Our empirical results demonstrate that CASA outperforms other state-of-the-art methods on different UDA benchmark tasks under label shift conditions.

The reasoning abilities of Large Language Models (LLMs) remain a topic of debate. Some methods such as ReAct-based prompting, have gained popularity for claiming to enhance sequential decision-making abilities of agentic LLMs. However, it is unclear what is the source of improvement in LLM reasoning with ReAct based prompting. In this paper we examine these claims of ReAct based prompting in improving agentic LLMs for sequential decision-making. By introducing systematic variations to the input prompt we perform a sensitivity analysis along the claims of ReAct and find that the performance is minimally influenced by the "interleaving reasoning trace with action execution" or the content of the generated reasoning traces in ReAct, contrary to original claims and common usage. Instead, the performance of LLMs is driven by the similarity between input example tasks and queries, implicitly forcing the prompt designer to provide instance-specific examples which significantly increases the cognitive burden on the human. Our investigation shows that the perceived reasoning abilities of LLMs stem from the exemplar-query similarity and approximate retrieval rather than any inherent reasoning abilities.

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models that present the intriguing possibility of providing general-purpose prediction methods, even in this mixture setting. In this work, we investigate the hypothesis that transformers can learn an optimal predictor for mixtures of regressions. We construct a generative process for a mixture of linear regressions for which the decision-theoretic optimal procedure is given by data-driven exponential weights on a finite set of parameters. We observe that transformers achieve low mean-squared error on data generated via this process. By probing the transformer's output at inference time, we also show that transformers typically make predictions that are close to the optimal predictor. Our experiments also demonstrate that transformers can learn mixtures of regressions in a sample-efficient fashion and are somewhat robust to distribution shifts. We complement our experimental observations by proving constructively that the decision-theoretic optimal procedure is indeed implementable by a transformer.

In this paper, we present a novel approach, called LogicPro, to enhance Large Language Models (LLMs) complex Logical reasoning through Program Examples. We do this effectively by simply utilizing widely available algorithmic problems and their code solutions. First, we constructed diverse test samples input based on algorithmic questions and code solutions. Then, we designed different complex reasoning questions based on algorithmic problems and test samples. Finally, combining the intermediate variable outputs of the code solutions and the complex reasoning questions, we derived the reasoning process and the final answer. With this approach, we can construct a dataset that is sufficiently difficult (all models are ineffective), diverse (synthesized from 2,360 different algorithmic questions), and scalable (building different test samples and collecting more algorithmic questions). In addition, we obtain a high-quality reasoning process guided by the values of intermediate variables. As a result, our approach achieves significant improvements in multiple models for the BBH^{27}, GSM8K, HellSwag, Logicqa, Reclor, and RTE datasets, outperforming a wide range of existing reasoning datasets.

Auditing large language models for unexpected behaviors is critical to preempt catastrophic deployments, yet remains challenging. In this work, we cast auditing as an optimization problem, where we automatically search for input-output pairs that match a desired target behavior. For example, we might aim to find a non-toxic input that starts with "Barack Obama" that a model maps to a toxic output. This optimization problem is difficult to solve as the set of feasible points is sparse, the space is discrete, and the language models we audit are non-linear and high-dimensional. To combat these challenges, we introduce a discrete optimization algorithm, ARCA, that jointly and efficiently optimizes over inputs and outputs. Our approach automatically uncovers derogatory completions about celebrities (e.g. "Barack Obama is a legalized unborn" -> "child murderer"), produces French inputs that complete to English outputs, and finds inputs that generate a specific name. Our work offers a promising new tool to uncover models' failure-modes before deployment.

Changing how pre-trained models behave -- e.g., improving their performance on a downstream task or mitigating biases learned during pre-training -- is a common practice when developing machine learning systems. In this work, we propose a new paradigm for steering the behavior of neural networks, centered around task vectors. A task vector specifies a direction in the weight space of a pre-trained model, such that movement in that direction improves performance on the task. We build task vectors by subtracting the weights of a pre-trained model from the weights of the same model after fine-tuning on a task. We show that these task vectors can be modified and combined together through arithmetic operations such as negation and addition, and the behavior of the resulting model is steered accordingly. Negating a task vector decreases performance on the target task, with little change in model behavior on control tasks. Moreover, adding task vectors together can improve performance on multiple tasks at once. Finally, when tasks are linked by an analogy relationship of the form ``A is to B as C is to D", combining task vectors from three of the tasks can improve performance on the fourth, even when no data from the fourth task is used for training. Overall, our experiments with several models, modalities and tasks show that task arithmetic is a simple, efficient and effective way of editing models.

Machine learning models always make a prediction, even when it is likely to be inaccurate. This behavior should be avoided in many decision support applications, where mistakes can have severe consequences. Albeit already studied in 1970, machine learning with rejection recently gained interest. This machine learning subfield enables machine learning models to abstain from making a prediction when likely to make a mistake. This survey aims to provide an overview on machine learning with rejection. We introduce the conditions leading to two types of rejection, ambiguity and novelty rejection, which we carefully formalize. Moreover, we review and categorize strategies to evaluate a model's predictive and rejective quality. Additionally, we define the existing architectures for models with rejection and describe the standard techniques for learning such models. Finally, we provide examples of relevant application domains and show how machine learning with rejection relates to other machine learning research areas.

Although counterfactual reasoning is a fundamental aspect of intelligence, the lack of large-scale counterfactual open-domain question-answering (QA) benchmarks makes it difficult to evaluate and improve models on this ability. To address this void, we introduce the first such dataset, named IfQA, where each question is based on a counterfactual presupposition via an "if" clause. For example, if Los Angeles was on the east coast of the U.S., what would be the time difference between Los Angeles and Paris? Such questions require models to go beyond retrieving direct factual knowledge from the Web: they must identify the right information to retrieve and reason about an imagined situation that may even go against the facts built into their parameters. The IfQA dataset contains over 3,800 questions that were annotated annotated by crowdworkers on relevant Wikipedia passages. Empirical analysis reveals that the IfQA dataset is highly challenging for existing open-domain QA methods, including supervised retrieve-then-read pipeline methods (EM score 36.2), as well as recent few-shot approaches such as chain-of-thought prompting with GPT-3 (EM score 27.4). The unique challenges posed by the IfQA benchmark will push open-domain QA research on both retrieval and counterfactual reasoning fronts.

This paper pursues the insight that large language models (LLMs) trained to generate code can vastly improve the effectiveness of mutation operators applied to programs in genetic programming (GP). Because such LLMs benefit from training data that includes sequential changes and modifications, they can approximate likely changes that humans would make. To highlight the breadth of implications of such evolution through large models (ELM), in the main experiment ELM combined with MAP-Elites generates hundreds of thousands of functional examples of Python programs that output working ambulating robots in the Sodarace domain, which the original LLM had never seen in pre-training. These examples then help to bootstrap training a new conditional language model that can output the right walker for a particular terrain. The ability to bootstrap new models that can output appropriate artifacts for a given context in a domain where zero training data was previously available carries implications for open-endedness, deep learning, and reinforcement learning. These implications are explored here in depth in the hope of inspiring new directions of research now opened up by ELM.

A major technique in learning-augmented online algorithms is combining multiple algorithms or predictors. Since the performance of each predictor may vary over time, it is desirable to use not the single best predictor as a benchmark, but rather a dynamic combination which follows different predictors at different times. We design algorithms that combine predictions and are competitive against such dynamic combinations for a wide class of online problems, namely, metrical task systems. Against the best (in hindsight) unconstrained combination of ell predictors, we obtain a competitive ratio of O(ell^2), and show that this is best possible. However, for a benchmark with slightly constrained number of switches between different predictors, we can get a (1+epsilon)-competitive algorithm. Moreover, our algorithms can be adapted to access predictors in a bandit-like fashion, querying only one predictor at a time. An unexpected implication of one of our lower bounds is a new structural insight about covering formulations for the k-server problem.

Inspired by the foundational works by Spivak and Fong and Cruttwell et al., we introduce a categorical framework to formalize Bayesian inference and learning. The two key ideas at play here are the notions of Bayesian inversions and the functor GL as constructed by Cruttwell et al.. In this context, we find that Bayesian learning is the simplest case of the learning paradigm. We then obtain categorical formulations of batch and sequential Bayes updates while also verifying that the two coincide in a specific example.

Neural networks have a reputation for being better at solving statistical or approximate problems than at performing calculations or working with symbolic data. In this paper, we show that they can be surprisingly good at more elaborated tasks in mathematics, such as symbolic integration and solving differential equations. We propose a syntax for representing mathematical problems, and methods for generating large datasets that can be used to train sequence-to-sequence models. We achieve results that outperform commercial Computer Algebra Systems such as Matlab or Mathematica.

We carry out an information-theoretical analysis of a two-layer neural network trained from input-output pairs generated by a teacher network with matching architecture, in overparametrized regimes. Our results come in the form of bounds relating i) the mutual information between training data and network weights, or ii) the Bayes-optimal generalization error, to the same quantities but for a simpler (generalized) linear model for which explicit expressions are rigorously known. Our bounds, which are expressed in terms of the number of training samples, input dimension and number of hidden units, thus yield fundamental performance limits for any neural network (and actually any learning procedure) trained from limited data generated according to our two-layer teacher neural network model. The proof relies on rigorous tools from spin glasses and is guided by ``Gaussian equivalence principles'' lying at the core of numerous recent analyses of neural networks. With respect to the existing literature, which is either non-rigorous or restricted to the case of the learning of the readout weights only, our results are information-theoretic (i.e. are not specific to any learning algorithm) and, importantly, cover a setting where all the network parameters are trained.

Large Language Models (LLMs) are rapidly becoming commodity components of larger software systems. This poses natural security and privacy problems: poisoned data retrieved from one component can change the model's behavior and compromise the entire system, including coercing the model to spread confidential data to untrusted components. One promising approach is to tackle this problem at the system level via dynamic information flow (aka taint) tracking. Unfortunately, the traditional approach of propagating the most restrictive input label to the output is too conservative for applications where LLMs operate on inputs retrieved from diverse sources. In this paper, we propose a novel, more permissive approach to propagate information flow labels through LLM queries. The key idea behind our approach is to propagate only the labels of the samples that were influential in generating the model output and to eliminate the labels of unnecessary input. We implement and investigate the effectiveness of two variations of this approach, based on (i) prompt-based retrieval augmentation, and (ii) a k-nearest-neighbors language model. We compare these with the baseline of an introspection-based influence estimator that directly asks the language model to predict the output label. The results obtained highlight the superiority of our prompt-based label propagator, which improves the label in more than 85% of the cases in an LLM agent setting. These findings underscore the practicality of permissive label propagation for retrieval augmentation.

We present a new distribution-free conformal prediction algorithm for sequential data (e.g., time series), called the sequential predictive conformal inference (SPCI). We specifically account for the nature that time series data are non-exchangeable, and thus many existing conformal prediction algorithms are not applicable. The main idea is to adaptively re-estimate the conditional quantile of non-conformity scores (e.g., prediction residuals), upon exploiting the temporal dependence among them. More precisely, we cast the problem of conformal prediction interval as predicting the quantile of a future residual, given a user-specified point prediction algorithm. Theoretically, we establish asymptotic valid conditional coverage upon extending consistency analyses in quantile regression. Using simulation and real-data experiments, we demonstrate a significant reduction in interval width of SPCI compared to other existing methods under the desired empirical coverage.

With few exceptions, neural networks have been relying on backpropagation and gradient descent as the inference engine in order to learn the model parameters, because the closed-form Bayesian inference for neural networks has been considered to be intractable. In this paper, we show how we can leverage the tractable approximate Gaussian inference's (TAGI) capabilities to infer hidden states, rather than only using it for inferring the network's parameters. One novel aspect it allows is to infer hidden states through the imposition of constraints designed to achieve specific objectives, as illustrated through three examples: (1) the generation of adversarial-attack examples, (2) the usage of a neural network as a black-box optimization method, and (3) the application of inference on continuous-action reinforcement learning. These applications showcase how tasks that were previously reserved to gradient-based optimization approaches can now be approached with analytically tractable inference

To align conditional text generation model outputs with desired behaviors, there has been an increasing focus on training the model using reinforcement learning (RL) with reward functions learned from human annotations. Under this framework, we identify three common cases where high rewards are incorrectly assigned to undesirable patterns: noise-induced spurious correlation, naturally occurring spurious correlation, and covariate shift. We show that even though learned metrics achieve high performance on the distribution of the data used to train the reward function, the undesirable patterns may be amplified during RL training of the text generation model. While there has been discussion about reward gaming in the RL or safety community, in this discussion piece, we would like to highlight reward gaming in the natural language generation (NLG) community using concrete conditional text generation examples and discuss potential fixes and areas for future work.

While previous distribution shift detection approaches can identify if a shift has occurred, these approaches cannot localize which specific features have caused a distribution shift -- a critical step in diagnosing or fixing any underlying issue. For example, in military sensor networks, users will want to detect when one or more of the sensors has been compromised, and critically, they will want to know which specific sensors might be compromised. Thus, we first define a formalization of this problem as multiple conditional distribution hypothesis tests and propose both non-parametric and parametric statistical tests. For both efficiency and flexibility, we then propose to use a test statistic based on the density model score function (i.e. gradient with respect to the input) -- which can easily compute test statistics for all dimensions in a single forward and backward pass. Any density model could be used for computing the necessary statistics including deep density models such as normalizing flows or autoregressive models. We additionally develop methods for identifying when and where a shift occurs in multivariate time-series data and show results for multiple scenarios using realistic attack models on both simulated and real world data.

Existing math datasets evaluate the reasoning abilities of large language models (LLMs) by either using the final answer or the intermediate reasoning steps derived from static examples. However, the former approach fails to surface model's uses of shortcuts and wrong reasoning while the later poses challenges in accommodating alternative solutions. In this work, we seek to use symbolic programs as a means for automated evaluation if a model can consistently produce correct final answers across various inputs to the program. We begin by extracting programs for popular math datasets (GSM8K and MATH) using GPT4-o. For those executable programs verified using the original input-output pairs, they are found to encapsulate the proper reasoning required to solve the original text questions. We then prompt GPT4-o to generate new questions using alternative input-output pairs based the extracted program. We apply the resulting datasets to evaluate a collection of LLMs. In our experiments, we observe significant accuracy drops using our proposed evaluation compared with original static examples, suggesting the fragility of math reasoning in state-of-the-art LLMs.

Extracting causal relationships from observed correlations is a growing area in probabilistic reasoning, originating with the seminal work of Pearl and others from the early 1990s. This paper develops a new, categorically oriented view based on a clear distinction between syntax (string diagrams) and semantics (stochastic matrices), connected via interpretations as structure-preserving functors. A key notion in the identification of causal effects is that of an intervention, whereby a variable is forcefully set to a particular value independent of any prior propensities. We represent the effect of such an intervention as an endofunctor which performs `string diagram surgery' within the syntactic category of string diagrams. This diagram surgery in turn yields a new, interventional distribution via the interpretation functor. While in general there is no way to compute interventional distributions purely from observed data, we show that this is possible in certain special cases using a calculational tool called comb disintegration. We demonstrate the use of this technique on a well-known toy example, where we predict the causal effect of smoking on cancer in the presence of a confounding common cause. After developing this specific example, we show this technique provides simple sufficient conditions for computing interventions which apply to a wide variety of situations considered in the causal inference literature.

This paper investigates whether large language models (LLMs) utilize numerical attributes encoded in a low-dimensional subspace of the embedding space when answering logical comparison questions (e.g., Was Cristiano born before Messi?). We first identified these subspaces using partial least squares regression, which effectively encodes the numerical attributes associated with the entities in comparison prompts. Further, we demonstrate causality by intervening in these subspaces to manipulate hidden states, thereby altering the LLM's comparison outcomes. Experimental results show that our findings hold for different numerical attributes, indicating that LLMs utilize the linearly encoded information for numerical reasoning.

State-of-the-art methods for conditional average treatment effect (CATE) estimation make widespread use of representation learning. Here, the idea is to reduce the variance of the low-sample CATE estimation by a (potentially constrained) low-dimensional representation. However, low-dimensional representations can lose information about the observed confounders and thus lead to bias, because of which the validity of representation learning for CATE estimation is typically violated. In this paper, we propose a new, representation-agnostic framework for estimating bounds on the representation-induced confounding bias that comes from dimensionality reduction (or other constraints on the representations) in CATE estimation. First, we establish theoretically under which conditions CATEs are non-identifiable given low-dimensional (constrained) representations. Second, as our remedy, we propose to perform partial identification of CATEs or, equivalently, aim at estimating of lower and upper bounds of the representation-induced confounding bias. We demonstrate the effectiveness of our bounds in a series of experiments. In sum, our framework is of direct relevance in practice where the validity of CATE estimation is of importance.

We consider higher-order linear-chain conditional random fields (HO-LC-CRFs) for sequence modelling, and use sum-product networks (SPNs) for representing higher-order input- and output-dependent factors. SPNs are a recently introduced class of deep models for which exact and efficient inference can be performed. By combining HO-LC-CRFs with SPNs, expressive models over both the output labels and the hidden variables are instantiated while still enabling efficient exact inference. Furthermore, the use of higher-order factors allows us to capture relations of multiple input segments and multiple output labels as often present in real-world data. These relations can not be modelled by the commonly used first-order models and higher-order models with local factors including only a single output label. We demonstrate the effectiveness of our proposed models for sequence labeling. In extensive experiments, we outperform other state-of-the-art methods in optical character recognition and achieve competitive results in phone classification.

In recent years, large language models have greatly improved in their ability to perform complex multi-step reasoning. However, even state-of-the-art models still regularly produce logical mistakes. To train more reliable models, we can turn either to outcome supervision, which provides feedback for a final result, or process supervision, which provides feedback for each intermediate reasoning step. Given the importance of training reliable models, and given the high cost of human feedback, it is important to carefully compare the both methods. Recent work has already begun this comparison, but many questions still remain. We conduct our own investigation, finding that process supervision significantly outperforms outcome supervision for training models to solve problems from the challenging MATH dataset. Our process-supervised model solves 78% of problems from a representative subset of the MATH test set. Additionally, we show that active learning significantly improves the efficacy of process supervision. To support related research, we also release PRM800K, the complete dataset of 800,000 step-level human feedback labels used to train our best reward model.

Large Language Models (LLMs) often encounter conflicts between their learned, internal (parametric knowledge, PK) and external knowledge provided during inference (contextual knowledge, CK). Understanding how LLMs models prioritize one knowledge source over the other remains a challenge. In this paper, we propose a novel probing framework to explore the mechanisms governing the selection between PK and CK in LLMs. Using controlled prompts designed to contradict the model's PK, we demonstrate that specific model activations are indicative of the knowledge source employed. We evaluate this framework on various LLMs of different sizes and demonstrate that mid-layer activations, particularly those related to relations in the input, are crucial in predicting knowledge source selection, paving the way for more reliable models capable of handling knowledge conflicts effectively.

We introduce PaLM 2, a new state-of-the-art language model that has better multilingual and reasoning capabilities and is more compute-efficient than its predecessor PaLM. PaLM 2 is a Transformer-based model trained using a mixture of objectives. Through extensive evaluations on English and multilingual language, and reasoning tasks, we demonstrate that PaLM 2 has significantly improved quality on downstream tasks across different model sizes, while simultaneously exhibiting faster and more efficient inference compared to PaLM. This improved efficiency enables broader deployment while also allowing the model to respond faster, for a more natural pace of interaction. PaLM 2 demonstrates robust reasoning capabilities exemplified by large improvements over PaLM on BIG-Bench and other reasoning tasks. PaLM 2 exhibits stable performance on a suite of responsible AI evaluations, and enables inference-time control over toxicity without additional overhead or impact on other capabilities. Overall, PaLM 2 achieves state-of-the-art performance across a diverse set of tasks and capabilities. When discussing the PaLM 2 family, it is important to distinguish between pre-trained models (of various sizes), fine-tuned variants of these models, and the user-facing products that use these models. In particular, user-facing products typically include additional pre- and post-processing steps. Additionally, the underlying models may evolve over time. Therefore, one should not expect the performance of user-facing products to exactly match the results reported in this report.

In discriminative settings such as regression and classification there are two random variables at play, the inputs X and the targets Y. Here, we demonstrate that the Variational Information Bottleneck can be viewed as a compromise between fully empirical and fully Bayesian objectives, attempting to minimize the risks due to finite sampling of Y only. We argue that this approach provides some of the benefits of Bayes while requiring only some of the work.

Effective implementations of sampling-based probabilistic inference often require manually constructed, model-specific proposals. Inspired by recent progresses in meta-learning for training learning agents that can generalize to unseen environments, we propose a meta-learning approach to building effective and generalizable MCMC proposals. We parametrize the proposal as a neural network to provide fast approximations to block Gibbs conditionals. The learned neural proposals generalize to occurrences of common structural motifs across different models, allowing for the construction of a library of learned inference primitives that can accelerate inference on unseen models with no model-specific training required. We explore several applications including open-universe Gaussian mixture models, in which our learned proposals outperform a hand-tuned sampler, and a real-world named entity recognition task, in which our sampler yields higher final F1 scores than classical single-site Gibbs sampling.

The recent phenomenal success of language models has reinvigorated machine learning research, and large sequence models such as transformers are being applied to a variety of domains. One important problem class that has remained relatively elusive however is purposeful adaptive behavior. Currently there is a common perception that sequence models "lack the understanding of the cause and effect of their actions" leading them to draw incorrect inferences due to auto-suggestive delusions. In this report we explain where this mismatch originates, and show that it can be resolved by treating actions as causal interventions. Finally, we show that in supervised learning, one can teach a system to condition or intervene on data by training with factual and counterfactual error signals respectively.

Large language models can perform various reasoning tasks by using chain-of-thought prompting, which guides them to find answers through step-by-step demonstrations. However, the quality of the prompts depends on the demonstrations given to the models, and creating many of them by hand is costly. We introduce Synthetic prompting, a method that leverages a few handcrafted examples to prompt the model to generate more examples by itself, and selects effective demonstrations to elicit better reasoning. Our method alternates between a backward and forward process to generate new examples. The backward process generates a question that match a sampled reasoning chain, so that the question is solvable and clear. The forward process produces a more detailed reasoning chain for the question, improving the quality of the example. We evaluate our method on numerical, symbolic, and algorithmic reasoning tasks, and show that it outperforms existing prompting techniques.

Given time series data, how can we answer questions like "what will happen in the future?" and "how did we get here?" These sorts of probabilistic inference questions are challenging when observations are high-dimensional. In this paper, we show how these questions can have compact, closed form solutions in terms of learned representations. The key idea is to apply a variant of contrastive learning to time series data. Prior work already shows that the representations learned by contrastive learning encode a probability ratio. By extending prior work to show that the marginal distribution over representations is Gaussian, we can then prove that joint distribution of representations is also Gaussian. Taken together, these results show that representations learned via temporal contrastive learning follow a Gauss-Markov chain, a graphical model where inference (e.g., prediction, planning) over representations corresponds to inverting a low-dimensional matrix. In one special case, inferring intermediate representations will be equivalent to interpolating between the learned representations. We validate our theory using numerical simulations on tasks up to 46-dimensions.

Transfer learning is a popular method for tuning pretrained (upstream) models for different downstream tasks using limited data and computational resources. We study how an adversary with control over an upstream model used in transfer learning can conduct property inference attacks on a victim's tuned downstream model. For example, to infer the presence of images of a specific individual in the downstream training set. We demonstrate attacks in which an adversary can manipulate the upstream model to conduct highly effective and specific property inference attacks (AUC score > 0.9), without incurring significant performance loss on the main task. The main idea of the manipulation is to make the upstream model generate activations (intermediate features) with different distributions for samples with and without a target property, thus enabling the adversary to distinguish easily between downstream models trained with and without training examples that have the target property. Our code is available at https://github.com/yulongt23/Transfer-Inference.

Self-Supervised Learning (SSL) has emerged as the solution of choice to learn transferable representations from unlabeled data. However, SSL requires to build samples that are known to be semantically akin, i.e. positive views. Requiring such knowledge is the main limitation of SSL and is often tackled by ad-hoc strategies e.g. applying known data-augmentations to the same input. In this work, we generalize and formalize this principle through Positive Active Learning (PAL) where an oracle queries semantic relationships between samples. PAL achieves three main objectives. First, it unveils a theoretically grounded learning framework beyond SSL, that can be extended to tackle supervised and semi-supervised learning depending on the employed oracle. Second, it provides a consistent algorithm to embed a priori knowledge, e.g. some observed labels, into any SSL losses without any change in the training pipeline. Third, it provides a proper active learning framework yielding low-cost solutions to annotate datasets, arguably bringing the gap between theory and practice of active learning that is based on simple-to-answer-by-non-experts queries of semantic relationships between inputs.

The task of Question Generation over Knowledge Bases (KBQG) aims to convert a logical form into a natural language question. For the sake of expensive cost of large-scale question annotation, the methods of KBQG under low-resource scenarios urgently need to be developed. However, current methods heavily rely on annotated data for fine-tuning, which is not well-suited for few-shot question generation. The emergence of Large Language Models (LLMs) has shown their impressive generalization ability in few-shot tasks. Inspired by Chain-of-Thought (CoT) prompting, which is an in-context learning strategy for reasoning, we formulate KBQG task as a reasoning problem, where the generation of a complete question is splitted into a series of sub-question generation. Our proposed prompting method KQG-CoT first retrieves supportive logical forms from the unlabeled data pool taking account of the characteristics of the logical form. Then, we write a prompt to explicit the reasoning chain of generating complicated questions based on the selected demonstrations. To further ensure prompt quality, we extend KQG-CoT into KQG-CoT+ via sorting the logical forms by their complexity. We conduct extensive experiments over three public KBQG datasets. The results demonstrate that our prompting method consistently outperforms other prompting baselines on the evaluated datasets. Remarkably, our KQG-CoT+ method could surpass existing few-shot SoTA results of the PathQuestions dataset by 18.25, 10.72, and 10.18 absolute points on BLEU-4, METEOR, and ROUGE-L, respectively.

"Forward-only" algorithms, which train neural networks while avoiding a backward pass, have recently gained attention as a way of solving the biologically unrealistic aspects of backpropagation. Here, we first address compelling challenges related to the "forward-only" rules, which include reducing the performance gap with backpropagation and providing an analytical understanding of their dynamics. To this end, we show that the forward-only algorithm with top-down feedback is well-approximated by an "adaptive-feedback-alignment" algorithm, and we analytically track its performance during learning in a prototype high-dimensional setting. Then, we compare different versions of forward-only algorithms, focusing on the Forward-Forward and PEPITA frameworks, and we show that they share the same learning principles. Overall, our work unveils the connections between three key neuro-inspired learning rules, providing a link between "forward-only" algorithms, i.e., Forward-Forward and PEPITA, and an approximation of backpropagation, i.e., Feedback Alignment.

Strong inductive biases enable learning from little data and help generalization outside of the training distribution. Popular neural architectures such as Transformers lack strong structural inductive biases for seq2seq NLP tasks on their own. Consequently, they struggle with systematic generalization beyond the training distribution, e.g. with extrapolating to longer inputs, even when pre-trained on large amounts of text. We show how a structural inductive bias can be efficiently injected into a seq2seq model by pre-training it to simulate structural transformations on synthetic data. Specifically, we inject an inductive bias towards Finite State Transducers (FSTs) into a Transformer by pre-training it to simulate FSTs given their descriptions. Our experiments show that our method imparts the desired inductive bias, resulting in improved systematic generalization and better few-shot learning for FST-like tasks. Our analysis shows that fine-tuned models accurately capture the state dynamics of the unseen underlying FSTs, suggesting that the simulation process is internalized by the fine-tuned model.

The performance of Large Language Models (LLMs) in reasoning tasks depends heavily on prompt design, with Chain-of-Thought (CoT) and self-consistency being critical methods that enhance this ability. However, these methods do not fully exploit the answers generated by the LLM to guide subsequent responses. This paper proposes a new prompting method, named Progressive-Hint Prompting (PHP), that enables automatic multiple interactions between users and LLMs by using previously generated answers as hints to progressively guide toward the correct answers. PHP is orthogonal to CoT and self-consistency, making it easy to combine with state-of-the-art techniques to further improve performance. We conducted extensive and comprehensive experiments on seven benchmarks. The results show that PHP significantly improves accuracy while remaining highly efficient. For instance, with text-davinci-003, we observed a 4.2% improvement on GSM8K with greedy decoding compared to Complex CoT, and a 46.17% reduction in sample paths with self-consistency. With GPT-4 and PHP, we achieve state-of-the-art performances on SVAMP (89.1% -> 91.9%), GSM8K (92% -> 95.5%), AQuA (76.4% -> 79.9%) and MATH (50.3% -> 53.9%).

Active learning (AL) in open set scenarios presents a novel challenge of identifying the most valuable examples in an unlabeled data pool that comprises data from both known and unknown classes. Traditional methods prioritize selecting informative examples with low confidence, with the risk of mistakenly selecting unknown-class examples with similarly low confidence. Recent methods favor the most probable known-class examples, with the risk of picking simple already mastered examples. In this paper, we attempt to query examples that are both likely from known classes and highly informative, and propose a Bidirectional Uncertainty-based Active Learning (BUAL) framework. Specifically, we achieve this by first pushing the unknown class examples toward regions with high-confidence predictions, i.e., the proposed Random Label Negative Learning method. Then, we propose a Bidirectional Uncertainty sampling strategy by jointly estimating uncertainty posed by both positive and negative learning to perform consistent and stable sampling. BUAL successfully extends existing uncertainty-based AL methods to complex open-set scenarios. Extensive experiments on multiple datasets with varying openness demonstrate that BUAL achieves state-of-the-art performance. The code is available at https://github.com/chenchenzong/BUAL.

We introduce InstaAug, a method for automatically learning input-specific augmentations from data. Previous methods for learning augmentations have typically assumed independence between the original input and the transformation applied to that input. This can be highly restrictive, as the invariances we hope our augmentation will capture are themselves often highly input dependent. InstaAug instead introduces a learnable invariance module that maps from inputs to tailored transformation parameters, allowing local invariances to be captured. This can be simultaneously trained alongside the downstream model in a fully end-to-end manner, or separately learned for a pre-trained model. We empirically demonstrate that InstaAug learns meaningful input-dependent augmentations for a wide range of transformation classes, which in turn provides better performance on both supervised and self-supervised tasks.

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

We employ an audit design to investigate biases in state-of-the-art large language models, including GPT-4. In our study, we prompt the models for advice involving a named individual across a variety of scenarios, such as during car purchase negotiations or election outcome predictions. We find that the advice systematically disadvantages names that are commonly associated with racial minorities and women. Names associated with Black women receive the least advantageous outcomes. The biases are consistent across 42 prompt templates and several models, indicating a systemic issue rather than isolated incidents. While providing numerical, decision-relevant anchors in the prompt can successfully counteract the biases, qualitative details have inconsistent effects and may even increase disparities. Our findings underscore the importance of conducting audits at the point of LLM deployment and implementation to mitigate their potential for harm against marginalized communities.

Conventional wisdom suggests that neural network predictions tend to be unpredictable and overconfident when faced with out-of-distribution (OOD) inputs. Our work reassesses this assumption for neural networks with high-dimensional inputs. Rather than extrapolating in arbitrary ways, we observe that neural network predictions often tend towards a constant value as input data becomes increasingly OOD. Moreover, we find that this value often closely approximates the optimal constant solution (OCS), i.e., the prediction that minimizes the average loss over the training data without observing the input. We present results showing this phenomenon across 8 datasets with different distributional shifts (including CIFAR10-C and ImageNet-R, S), different loss functions (cross entropy, MSE, and Gaussian NLL), and different architectures (CNNs and transformers). Furthermore, we present an explanation for this behavior, which we first validate empirically and then study theoretically in a simplified setting involving deep homogeneous networks with ReLU activations. Finally, we show how one can leverage our insights in practice to enable risk-sensitive decision-making in the presence of OOD inputs.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

While recent generative models can produce engaging music, their utility is limited. The variation in the music is often left to chance, resulting in compositions that lack structure. Pieces extending beyond a minute can become incoherent or repetitive. This paper introduces an approach for generating structured, arbitrarily long musical pieces. Central to this approach is the creation of musical segments using a conditional generative model, with transitions between these segments. The generation of prompts that determine the high-level composition is distinct from the creation of finer, lower-level details. A large language model is then used to suggest the musical form.

We propose a novel interpretation technique to explain the behavior of structured output models, which learn mappings between an input vector to a set of output variables simultaneously. Because of the complex relationship between the computational path of output variables in structured models, a feature can affect the value of output through other ones. We focus on one of the outputs as the target and try to find the most important features utilized by the structured model to decide on the target in each locality of the input space. In this paper, we assume an arbitrary structured output model is available as a black box and argue how considering the correlations between output variables can improve the explanation performance. The goal is to train a function as an interpreter for the target output variable over the input space. We introduce an energy-based training process for the interpreter function, which effectively considers the structural information incorporated into the model to be explained. The effectiveness of the proposed method is confirmed using a variety of simulated and real data sets.

It has long been hypothesised that causal reasoning plays a fundamental role in robust and general intelligence. However, it is not known if agents must learn causal models in order to generalise to new domains, or if other inductive biases are sufficient. We answer this question, showing that any agent capable of satisfying a regret bound under a large set of distributional shifts must have learned an approximate causal model of the data generating process, which converges to the true causal model for optimal agents. We discuss the implications of this result for several research areas including transfer learning and causal inference.

DL compiler's primary function is to translate DNN programs written in high-level DL frameworks such as PyTorch and TensorFlow into portable executables. These executables can then be flexibly executed by the deployed host programs. However, existing DL compilers rely on a tracing mechanism, which involves feeding a runtime input to a neural network program and tracing the program execution paths to generate the computational graph necessary for compilation. Unfortunately, this mechanism falls short when dealing with modern dynamic neural networks (DyNNs) that possess varying computational graphs depending on the inputs. Consequently, conventional DL compilers struggle to accurately compile DyNNs into executable code. To address this limitation, we propose \tool, a general approach that enables any existing DL compiler to successfully compile DyNNs. \tool tackles the dynamic nature of DyNNs by introducing a compilation mechanism that redistributes the control and data flow of the original DNN programs during the compilation process. Specifically, \tool develops program analysis and program transformation techniques to convert a dynamic neural network into multiple sub-neural networks. Each sub-neural network is devoid of conditional statements and is compiled independently. Furthermore, \tool synthesizes a host module that models the control flow of the DyNNs and facilitates the invocation of the sub-neural networks. Our evaluation demonstrates the effectiveness of \tool, achieving a 100\% success rate in compiling all dynamic neural networks. Moreover, the compiled executables generated by \tool exhibit significantly improved performance, running between 1.12times and 20.21times faster than the original DyNNs executed on general-purpose DL frameworks.

Generative Adversarial Networks (GANs) struggle to generate structured objects like molecules and game maps. The issue is that structured objects must satisfy hard requirements (e.g., molecules must be chemically valid) that are difficult to acquire from examples alone. As a remedy, we propose Constrained Adversarial Networks (CANs), an extension of GANs in which the constraints are embedded into the model during training. This is achieved by penalizing the generator proportionally to the mass it allocates to invalid structures. In contrast to other generative models, CANs support efficient inference of valid structures (with high probability) and allows to turn on and off the learned constraints at inference time. CANs handle arbitrary logical constraints and leverage knowledge compilation techniques to efficiently evaluate the disagreement between the model and the constraints. Our setup is further extended to hybrid logical-neural constraints for capturing very complex constraints, like graph reachability. An extensive empirical analysis shows that CANs efficiently generate valid structures that are both high-quality and novel.

Automated interpretability pipelines generate natural language descriptions for the concepts represented by features in large language models (LLMs), such as plants or the first word in a sentence. These descriptions are derived using inputs that activate the feature, which may be a dimension or a direction in the model's representation space. However, identifying activating inputs is costly, and the mechanistic role of a feature in model behavior is determined both by how inputs cause a feature to activate and by how feature activation affects outputs. Using steering evaluations, we reveal that current pipelines provide descriptions that fail to capture the causal effect of the feature on outputs. To fix this, we propose efficient, output-centric methods for automatically generating feature descriptions. These methods use the tokens weighted higher after feature stimulation or the highest weight tokens after applying the vocabulary "unembedding" head directly to the feature. Our output-centric descriptions better capture the causal effect of a feature on model outputs than input-centric descriptions, but combining the two leads to the best performance on both input and output evaluations. Lastly, we show that output-centric descriptions can be used to find inputs that activate features previously thought to be "dead".

Transformer models can use two fundamentally different kinds of information: information stored in weights during training, and information provided ``in-context'' at inference time. In this work, we show that transformers exhibit different inductive biases in how they represent and generalize from the information in these two sources. In particular, we characterize whether they generalize via parsimonious rules (rule-based generalization) or via direct comparison with observed examples (exemplar-based generalization). This is of important practical consequence, as it informs whether to encode information in weights or in context, depending on how we want models to use that information. In transformers trained on controlled stimuli, we find that generalization from weights is more rule-based whereas generalization from context is largely exemplar-based. In contrast, we find that in transformers pre-trained on natural language, in-context learning is significantly rule-based, with larger models showing more rule-basedness. We hypothesise that rule-based generalization from in-context information might be an emergent consequence of large-scale training on language, which has sparse rule-like structure. Using controlled stimuli, we verify that transformers pretrained on data containing sparse rule-like structure exhibit more rule-based generalization.

Answering counterfactual queries has many important applications such as knowledge discovery and explainability, but is challenging when causal variables are unobserved and we only see a projection onto an observation space, for instance, image pixels. One approach is to recover the latent Structural Causal Model (SCM), but this typically needs unrealistic assumptions, such as linearity of the causal mechanisms. Another approach is to use na\"ive ML approximations, such as generative models, to generate counterfactual samples; however, these lack guarantees of accuracy. In this work, we strive to strike a balance between practicality and theoretical guarantees by focusing on a specific type of causal query called domain counterfactuals, which hypothesizes what a sample would have looked like if it had been generated in a different domain (or environment). Concretely, by only assuming invertibility, sparse domain interventions and access to observational data from different domains, we aim to improve domain counterfactual estimation both theoretically and practically with less restrictive assumptions. We define domain counterfactually equivalent models and prove necessary and sufficient properties for equivalent models that provide a tight characterization of the domain counterfactual equivalence classes. Building upon this result, we prove that every equivalence class contains a model where all intervened variables are at the end when topologically sorted by the causal DAG. This surprising result suggests that a model design that only allows intervention in the last k latent variables may improve model estimation for counterfactuals. We then test this model design on extensive simulated and image-based experiments which show the sparse canonical model indeed improves counterfactual estimation over baseline non-sparse models.

The conventional wisdom behind learning deep classification models is to focus on bad-classified examples and ignore well-classified examples that are far from the decision boundary. For instance, when training with cross-entropy loss, examples with higher likelihoods (i.e., well-classified examples) contribute smaller gradients in back-propagation. However, we theoretically show that this common practice hinders representation learning, energy optimization, and margin growth. To counteract this deficiency, we propose to reward well-classified examples with additive bonuses to revive their contribution to the learning process. This counterexample theoretically addresses these three issues. We empirically support this claim by directly verifying the theoretical results or significant performance improvement with our counterexample on diverse tasks, including image classification, graph classification, and machine translation. Furthermore, this paper shows that we can deal with complex scenarios, such as imbalanced classification, OOD detection, and applications under adversarial attacks because our idea can solve these three issues. Code is available at: https://github.com/lancopku/well-classified-examples-are-underestimated.

A new prior is proposed for learning representations of high-level concepts of the kind we manipulate with language. This prior can be combined with other priors in order to help disentangling abstract factors from each other. It is inspired by cognitive neuroscience theories of consciousness, seen as a bottleneck through which just a few elements, after having been selected by attention from a broader pool, are then broadcast and condition further processing, both in perception and decision-making. The set of recently selected elements one becomes aware of is seen as forming a low-dimensional conscious state. This conscious state is combining the few concepts constituting a conscious thought, i.e., what one is immediately conscious of at a particular moment. We claim that this architectural and information-processing constraint corresponds to assumptions about the joint distribution between high-level concepts. To the extent that these assumptions are generally true (and the form of natural language seems consistent with them), they can form a useful prior for representation learning. A low-dimensional thought or conscious state is analogous to a sentence: it involves only a few variables and yet can make a statement with very high probability of being true. This is consistent with a joint distribution (over high-level concepts) which has the form of a sparse factor graph, i.e., where the dependencies captured by each factor of the factor graph involve only very few variables while creating a strong dip in the overall energy function. The consciousness prior also makes it natural to map conscious states to natural language utterances or to express classical AI knowledge in a form similar to facts and rules, albeit capturing uncertainty as well as efficient search mechanisms implemented by attention mechanisms.

We present Grid Beam Search (GBS), an algorithm which extends beam search to allow the inclusion of pre-specified lexical constraints. The algorithm can be used with any model that generates a sequence hat{y} = {y_{0}ldots y_{T}} , by maximizing p(y | x) = prodlimits_{t}p(y_{t} | x; {y_{0} ldots y_{t-1}}) . Lexical constraints take the form of phrases or words that must be present in the output sequence. This is a very general way to incorporate additional knowledge into a model's output without requiring any modification of the model parameters or training data. We demonstrate the feasibility and flexibility of Lexically Constrained Decoding by conducting experiments on Neural Interactive-Predictive Translation, as well as Domain Adaptation for Neural Machine Translation. Experiments show that GBS can provide large improvements in translation quality in interactive scenarios, and that, even without any user input, GBS can be used to achieve significant gains in performance in domain adaptation scenarios.

Early warning signals have been proposed to forecast the possibility of a critical transition, such as the eutrophication of a lake, the collapse of a coral reef, or the end of a glacial period. Because such transitions often unfold on temporal and spatial scales that can be difficult to approach by experimental manipulation, research has often relied on historical observations as a source of natural experiments. Here we examine a critical difference between selecting systems for study based on the fact that we have observed a critical transition and those systems for which we wish to forecast the approach of a transition. This difference arises by conditionally selecting systems known to experience a transition of some sort and failing to account for the bias this introduces -- a statistical error often known as the Prosecutor's Fallacy. By analysing simulated systems that have experienced transitions purely by chance, we reveal an elevated rate of false positives in common warning signal statistics. We further demonstrate a model-based approach that is less subject to this bias than these more commonly used summary statistics. We note that experimental studies with replicates avoid this pitfall entirely.

Recent works have shown a reduction from contextual bandits to online regression under a realizability assumption [Foster and Rakhlin, 2020, Foster and Krishnamurthy, 2021]. In this work, we investigate the use of neural networks for such online regression and associated Neural Contextual Bandits (NeuCBs). Using existing results for wide networks, one can readily show a {O}(T) regret for online regression with square loss, which via the reduction implies a {O}(K T^{3/4}) regret for NeuCBs. Departing from this standard approach, we first show a O(log T) regret for online regression with almost convex losses that satisfy QG (Quadratic Growth) condition, a generalization of the PL (Polyak-\L ojasiewicz) condition, and that have a unique minima. Although not directly applicable to wide networks since they do not have unique minima, we show that adding a suitable small random perturbation to the network predictions surprisingly makes the loss satisfy QG with unique minima. Based on such a perturbed prediction, we show a {O}(log T) regret for online regression with both squared loss and KL loss, and subsequently convert these respectively to mathcal{O}(KT) and mathcal{O}(KL^* + K) regret for NeuCB, where L^* is the loss of the best policy. Separately, we also show that existing regret bounds for NeuCBs are Omega(T) or assume i.i.d. contexts, unlike this work. Finally, our experimental results on various datasets demonstrate that our algorithms, especially the one based on KL loss, persistently outperform existing algorithms.

Grey-box fuzzers such as American Fuzzy Lop (AFL) are popular tools for finding bugs and potential vulnerabilities in programs. While these fuzzers have been able to find vulnerabilities in many widely used programs, they are not efficient; of the millions of inputs executed by AFL in a typical fuzzing run, only a handful discover unseen behavior or trigger a crash. The remaining inputs are redundant, exhibiting behavior that has already been observed. Here, we present an approach to increase the efficiency of fuzzers like AFL by applying machine learning to directly model how programs behave. We learn a forward prediction model that maps program inputs to execution traces, training on the thousands of inputs collected during standard fuzzing. This learned model guides exploration by focusing on fuzzing inputs on which our model is the most uncertain (measured via the entropy of the predicted execution trace distribution). By focusing on executing inputs our learned model is unsure about, and ignoring any input whose behavior our model is certain about, we show that we can significantly limit wasteful execution. Through testing our approach on a set of binaries released as part of the DARPA Cyber Grand Challenge, we show that our approach is able to find a set of inputs that result in more code coverage and discovered crashes than baseline fuzzers with significantly fewer executions.

Unobserved confounding is common in many applications, making causal inference from observational data challenging. As a remedy, causal sensitivity analysis is an important tool to draw causal conclusions under unobserved confounding with mathematical guarantees. In this paper, we propose NeuralCSA, a neural framework for generalized causal sensitivity analysis. Unlike previous work, our framework is compatible with (i) a large class of sensitivity models, including the marginal sensitivity model, f-sensitivity models, and Rosenbaum's sensitivity model; (ii) different treatment types (i.e., binary and continuous); and (iii) different causal queries, including (conditional) average treatment effects and simultaneous effects on multiple outcomes. The generality of \frameworkname is achieved by learning a latent distribution shift that corresponds to a treatment intervention using two conditional normalizing flows. We provide theoretical guarantees that NeuralCSA is able to infer valid bounds on the causal query of interest and also demonstrate this empirically using both simulated and real-world data.

Logical reading comprehension is a challenging task that entails grasping the underlying semantics of text and applying reasoning to deduce the correct answer. Prior researches have primarily focused on enhancing logical reasoning capabilities through Chain-of-Thought (CoT) or data augmentation. However, previous work constructing chain-of-thought rationales concentrates solely on analyzing correct options, neglecting the incorrect alternatives. Addtionally, earlier efforts on data augmentation by altering contexts rely on rule-based methods, which result in generated contexts that lack diversity and coherence. To address these issues, we propose a Premise-Oriented Data Augmentation (PODA) framework. This framework can generate CoT rationales including analyses for both correct and incorrect options, while constructing diverse and high-quality counterfactual contexts from incorrect candidate options. We integrate summarizing premises and identifying premises for each option into rationales. Subsequently, we employ multi-step prompts with identified premises to construct counterfactual context. To facilitate the model's capabilities to better differentiate the reasoning process associated with each option, we introduce a novel thought-path contrastive learning method that compares reasoning paths between the original and counterfactual samples. Experimental results on three representative LLMs demonstrate that our method can improve the baselines substantially across two challenging logical reasoning benchmarks (ReClor and LogiQA 2.0). The data and code are released at https://github.com/lalalamdbf/TPReasoner.

In this paper, we focus on the task of conditional image generation, where an image is synthesized according to user instructions. The critical challenge underpinning this task is ensuring both the fidelity of the generated images and their semantic alignment with the provided conditions. To tackle this issue, previous studies have employed supervised perceptual losses derived from pre-trained models, i.e., reward models, to enforce alignment between the condition and the generated result. However, we observe one inherent shortcoming: considering the diversity of synthesized images, the reward model usually provides inaccurate feedback when encountering newly generated data, which can undermine the training process. To address this limitation, we propose an uncertainty-aware reward modeling, called Ctrl-U, including uncertainty estimation and uncertainty-aware regularization, designed to reduce the adverse effects of imprecise feedback from the reward model. Given the inherent cognitive uncertainty within reward models, even images generated under identical conditions often result in a relatively large discrepancy in reward loss. Inspired by the observation, we explicitly leverage such prediction variance as an uncertainty indicator. Based on the uncertainty estimation, we regularize the model training by adaptively rectifying the reward. In particular, rewards with lower uncertainty receive higher loss weights, while those with higher uncertainty are given reduced weights to allow for larger variability. The proposed uncertainty regularization facilitates reward fine-tuning through consistency construction. Extensive experiments validate the effectiveness of our methodology in improving the controllability and generation quality, as well as its scalability across diverse conditional scenarios. Code will soon be available at https://grenoble-zhang.github.io/Ctrl-U-Page/.

The primary paradigm for multi-task training in natural language processing is to represent the input with a shared pre-trained language model, and add a small, thin network (head) per task. Given an input, a target head is the head that is selected for outputting the final prediction. In this work, we examine the behaviour of non-target heads, that is, the output of heads when given input that belongs to a different task than the one they were trained for. We find that non-target heads exhibit emergent behaviour, which may either explain the target task, or generalize beyond their original task. For example, in a numerical reasoning task, a span extraction head extracts from the input the arguments to a computation that results in a number generated by a target generative head. In addition, a summarization head that is trained with a target question answering head, outputs query-based summaries when given a question and a context from which the answer is to be extracted. This emergent behaviour suggests that multi-task training leads to non-trivial extrapolation of skills, which can be harnessed for interpretability and generalization.

In this paper, we propose LEURN: a neural network architecture that learns univariate decision rules. LEURN is a white-box algorithm that results into univariate trees and makes explainable decisions in every stage. In each layer, LEURN finds a set of univariate rules based on an embedding of the previously checked rules and their corresponding responses. Both rule finding and final decision mechanisms are weighted linear combinations of these embeddings, hence contribution of all rules are clearly formulated and explainable. LEURN can select features, extract feature importance, provide semantic similarity between a pair of samples, be used in a generative manner and can give a confidence score. Thanks to a smoothness parameter, LEURN can also controllably behave like decision trees or vanilla neural networks. Besides these advantages, LEURN achieves comparable performance to state-of-the-art methods across 30 tabular datasets for classification and regression problems.

We study the problem of model selection in causal inference, specifically for the case of conditional average treatment effect (CATE) estimation under binary treatments. Unlike model selection in machine learning, there is no perfect analogue of cross-validation as we do not observe the counterfactual potential outcome for any data point. Towards this, there have been a variety of proxy metrics proposed in the literature, that depend on auxiliary nuisance models estimated from the observed data (propensity score model, outcome regression model). However, the effectiveness of these metrics has only been studied on synthetic datasets as we can access the counterfactual data for them. We conduct an extensive empirical analysis to judge the performance of these metrics introduced in the literature, and novel ones introduced in this work, where we utilize the latest advances in generative modeling to incorporate multiple realistic datasets. Our analysis suggests novel model selection strategies based on careful hyperparameter tuning of CATE estimators and causal ensembling.

Large Language Models (LLMs) can perform various natural language processing tasks with suitable instruction prompts. However, designing effective prompts manually is challenging and time-consuming. Existing methods for automatic prompt optimization either lack flexibility or efficiency. In this paper, we propose an effective approach to automatically select the optimal prompt for a given input from a finite set of synthetic candidate prompts. Our approach consists of three steps: (1) clustering the training data and generating candidate prompts for each cluster using an LLM-based prompt generator; (2) synthesizing a dataset of input-prompt-output tuples for training a prompt evaluator to rank the prompts based on their relevance to the input; (3) using the prompt evaluator to select the best prompt for a new input at test time. Our approach balances prompt generality-specificity and eliminates the need for resource-intensive training and inference. It demonstrates competitive performance on zero-shot question-answering datasets: GSM8K, MultiArith, and AQuA.

Our understanding of the generalization capabilities of neural networks (NNs) is still incomplete. Prevailing explanations are based on implicit biases of gradient descent (GD) but they cannot account for the capabilities of models from gradient-free methods nor the simplicity bias recently observed in untrained networks. This paper seeks other sources of generalization in NNs. Findings. To understand the inductive biases provided by architectures independently from GD, we examine untrained, random-weight networks. Even simple MLPs show strong inductive biases: uniform sampling in weight space yields a very biased distribution of functions in terms of complexity. But unlike common wisdom, NNs do not have an inherent "simplicity bias". This property depends on components such as ReLUs, residual connections, and layer normalizations. Alternative architectures can be built with a bias for any level of complexity. Transformers also inherit all these properties from their building blocks. Implications. We provide a fresh explanation for the success of deep learning independent from gradient-based training. It points at promising avenues for controlling the solutions implemented by trained models.

Classifier guidance is a recently introduced method to trade off mode coverage and sample fidelity in conditional diffusion models post training, in the same spirit as low temperature sampling or truncation in other types of generative models. Classifier guidance combines the score estimate of a diffusion model with the gradient of an image classifier and thereby requires training an image classifier separate from the diffusion model. It also raises the question of whether guidance can be performed without a classifier. We show that guidance can be indeed performed by a pure generative model without such a classifier: in what we call classifier-free guidance, we jointly train a conditional and an unconditional diffusion model, and we combine the resulting conditional and unconditional score estimates to attain a trade-off between sample quality and diversity similar to that obtained using classifier guidance.

We explore a class of adversarial attacks targeting the activations of language models. By manipulating a relatively small subset of model activations, a, we demonstrate the ability to control the exact prediction of a significant number (in some cases up to 1000) of subsequent tokens t. We empirically verify a scaling law where the maximum number of target tokens t_max predicted depends linearly on the number of tokens a whose activations the attacker controls as t_max = kappa a. We find that the number of bits of control in the input space needed to control a single bit in the output space (what we call attack resistance chi) is remarkably constant between approx 16 and approx 25 over 2 orders of magnitude of model sizes for different language models. Compared to attacks on tokens, attacks on activations are predictably much stronger, however, we identify a surprising regularity where one bit of input steered either via activations or via tokens is able to exert control over a similar amount of output bits. This gives support for the hypothesis that adversarial attacks are a consequence of dimensionality mismatch between the input and output spaces. A practical implication of the ease of attacking language model activations instead of tokens is for multi-modal and selected retrieval models, where additional data sources are added as activations directly, sidestepping the tokenized input. This opens up a new, broad attack surface. By using language models as a controllable test-bed to study adversarial attacks, we were able to experiment with input-output dimensions that are inaccessible in computer vision, especially where the output dimension dominates.

The recent explosion in the capabilities of large language models has led to a wave of interest in how best to prompt a model to perform a given task. While it may be tempting to simply choose a prompt based on average performance on a validation set, this can lead to a deployment where unexpectedly poor responses are generated, especially for the worst-off users. To mitigate this prospect, we propose Prompt Risk Control, a lightweight framework for selecting a prompt based on rigorous upper bounds on families of informative risk measures. We offer methods for producing bounds on a diverse set of metrics, including quantities that measure worst-case responses and disparities in generation quality across the population of users. In addition, we extend the underlying statistical bounding techniques to accommodate the possibility of distribution shifts in deployment. Experiments on applications such as open-ended chat, medical question summarization, and code generation highlight how such a framework can foster responsible deployment by reducing the risk of the worst outcomes.

The progress in modelling time series and, more generally, sequences of structured data has recently revamped research in anomaly detection. The task stands for identifying abnormal behaviors in financial series, IT systems, aerospace measurements, and the medical domain, where anomaly detection may aid in isolating cases of depression and attend the elderly. Anomaly detection in time series is a complex task since anomalies are rare due to highly non-linear temporal correlations and since the definition of anomalous is sometimes subjective. Here we propose the novel use of Hyperbolic uncertainty for Anomaly Detection (HypAD). HypAD learns self-supervisedly to reconstruct the input signal. We adopt best practices from the state-of-the-art to encode the sequence by an LSTM, jointly learned with a decoder to reconstruct the signal, with the aid of GAN critics. Uncertainty is estimated end-to-end by means of a hyperbolic neural network. By using uncertainty, HypAD may assess whether it is certain about the input signal but it fails to reconstruct it because this is anomalous; or whether the reconstruction error does not necessarily imply anomaly, as the model is uncertain, e.g. a complex but regular input signal. The novel key idea is that a detectable anomaly is one where the model is certain but it predicts wrongly. HypAD outperforms the current state-of-the-art for univariate anomaly detection on established benchmarks based on data from NASA, Yahoo, Numenta, Amazon, and Twitter. It also yields state-of-the-art performance on a multivariate dataset of anomaly activities in elderly home residences, and it outperforms the baseline on SWaT. Overall, HypAD yields the lowest false alarms at the best performance rate, thanks to successfully identifying detectable anomalies.

Temporal Point Processes (TPP) are probabilistic generative frameworks. They model discrete event sequences localized in continuous time. Generally, real-life events reveal descriptive information, known as marks. Marked TPPs model time and marks of the event together for practical relevance. Conditioned on past events, marked TPPs aim to learn the joint distribution of the time and the mark of the next event. For simplicity, conditionally independent TPP models assume time and marks are independent given event history. They factorize the conditional joint distribution of time and mark into the product of individual conditional distributions. This structural limitation in the design of TPP models hurt the predictive performance on entangled time and mark interactions. In this work, we model the conditional inter-dependence of time and mark to overcome the limitations of conditionally independent models. We construct a multivariate TPP conditioning the time distribution on the current event mark in addition to past events. Besides the conventional intensity-based models for conditional joint distribution, we also draw on flexible intensity-free TPP models from the literature. The proposed TPP models outperform conditionally independent and dependent models in standard prediction tasks. Our experimentation on various datasets with multiple evaluation metrics highlights the merit of the proposed approach.

Logical reasoning is central to complex human activities, such as thinking, debating, and planning; it is also a central component of many AI systems as well. In this paper, we investigate the extent to which encoder-only transformer language models (LMs) can reason according to logical rules. We ask whether those LMs can deduce theorems in propositional calculus and first-order logic; if their relative success in these problems reflects general logical capabilities; and which layers contribute the most to the task. First, we show for several encoder-only LMs that they can be trained, to a reasonable degree, to determine logical validity on various datasets. Next, by cross-probing fine-tuned models on these datasets, we show that LMs have difficulty in transferring their putative logical reasoning ability, which suggests that they may have learned dataset-specific features, instead of a general capability. Finally, we conduct a layerwise probing experiment, which shows that the hypothesis classification task is mostly solved through higher layers.

An essential and challenging problem in causal inference is causal effect estimation from observational data. The problem becomes more difficult with the presence of unobserved confounding variables. The front-door adjustment is a practical approach for dealing with unobserved confounding variables. However, the restriction for the standard front-door adjustment is difficult to satisfy in practice. In this paper, we relax some of the restrictions by proposing the concept of conditional front-door (CFD) adjustment and develop the theorem that guarantees the causal effect identifiability of CFD adjustment. Furthermore, as it is often impossible for a CFD variable to be given in practice, it is desirable to learn it from data. By leveraging the ability of deep generative models, we propose CFDiVAE to learn the representation of the CFD adjustment variable directly from data with the identifiable Variational AutoEncoder and formally prove the model identifiability. Extensive experiments on synthetic datasets validate the effectiveness of CFDiVAE and its superiority over existing methods. The experiments also show that the performance of CFDiVAE is less sensitive to the causal strength of unobserved confounding variables. We further apply CFDiVAE to a real-world dataset to demonstrate its potential application.

Modern generative models demonstrate impressive capabilities, likely stemming from an ability to identify and manipulate abstract concepts underlying their training data. However, fundamental questions remain: what determines the concepts a model learns, the order in which it learns them, and its ability to manipulate those concepts? To address these questions, we propose analyzing a model's learning dynamics via a framework we call the concept space, where each axis represents an independent concept underlying the data generating process. By characterizing learning dynamics in this space, we identify how the speed at which a concept is learned, and hence the order of concept learning, is controlled by properties of the data we term concept signal. Further, we observe moments of sudden turns in the direction of a model's learning dynamics in concept space. Surprisingly, these points precisely correspond to the emergence of hidden capabilities, i.e., where latent interventions show the model possesses the capability to manipulate a concept, but these capabilities cannot yet be elicited via naive input prompting. While our results focus on synthetically defined toy datasets, we hypothesize a general claim on emergence of hidden capabilities may hold: generative models possess latent capabilities that emerge suddenly and consistently during training, though a model might not exhibit these capabilities under naive input prompting.

Language models contain ranking-based knowledge and are powerful solvers of in-context ranking tasks. For instance, they may have parametric knowledge about the ordering of countries by size or may be able to rank reviews by sentiment. Recent work focuses on pairwise, pointwise, and listwise prompting techniques to elicit a language model's ranking knowledge. However, we find that even with careful calibration and constrained decoding, prompting-based techniques may not always be self-consistent in the rankings they produce. This motivates us to explore an alternative approach that is inspired by an unsupervised probing method called Contrast-Consistent Search (CCS). The idea is to train a probing model guided by a logical constraint: a model's representation of a statement and its negation must be mapped to contrastive true-false poles consistently across multiple statements. We hypothesize that similar constraints apply to ranking tasks where all items are related via consistent pairwise or listwise comparisons. To this end, we extend the binary CCS method to Contrast-Consistent Ranking (CCR) by adapting existing ranking methods such as the Max-Margin Loss, Triplet Loss, and Ordinal Regression objective. Our results confirm that, for the same language model, CCR probing outperforms prompting and even performs on a par with prompting much larger language models.

Large language models (LLMs), while transformative for NLP, come with significant computational demands, underlining the need for efficient, training-free compression. Notably, the reliability of perplexity as a benchmark for compressed model efficacy is in question, as our tests using LLaMA-7B and OPT-6.7b reveal a significant performance drop in several realistic downstream tasks, underscoring the disparity between perplexity as a performance indicator and real-world performance. Investigation into the trade-off between resource-intensive post-compression re-training highlights the prospect of prompt-driven recovery as a lightweight adaption tool. However, existing studies, confined mainly to perplexity evaluations and simple tasks, fail to offer unequivocal confidence in the scalability and generalizability of prompting. We tackle this uncertainty in two key ways. First, we uncover the vulnerability of naive prompts in LLM compression as an over-reliance on a singular prompt per input. In response, we propose inference-time dynamic prompting (IDP), a mechanism that autonomously chooses from a set of curated prompts based on the context of each individual input. Second, we delve into a scientific understanding of why ``prompting might be all you need post-LLM compression". Our findings suggest that compression doesn't irretrievably erase LLM model knowledge but displace it, necessitating a new inference path. IDP effectively redirects this path, enabling the model to tap into its inherent yet displaced knowledge and thereby recover performance. Empirical tests affirm the value of IDP, demonstrating an average performance improvement of 1.24% across nine varied tasks spanning multiple knowledge domains.

Informally, the 'linear representation hypothesis' is the idea that high-level concepts are represented linearly as directions in some representation space. In this paper, we address two closely related questions: What does "linear representation" actually mean? And, how do we make sense of geometric notions (e.g., cosine similarity or projection) in the representation space? To answer these, we use the language of counterfactuals to give two formalizations of "linear representation", one in the output (word) representation space, and one in the input (sentence) space. We then prove these connect to linear probing and model steering, respectively. To make sense of geometric notions, we use the formalization to identify a particular (non-Euclidean) inner product that respects language structure in a sense we make precise. Using this causal inner product, we show how to unify all notions of linear representation. In particular, this allows the construction of probes and steering vectors using counterfactual pairs. Experiments with LLaMA-2 demonstrate the existence of linear representations of concepts, the connection to interpretation and control, and the fundamental role of the choice of inner product.

This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differently during evaluation. Moreover, prediction errors during backpropagation, rather than external inputs during the forward computation, are used to convey information to the network about the external data. For testing, we introduce error regression for predicting unseen sequences as inspired by predictive coding that leverages those mechanisms. The model introduces a weighting parameter, the meta-prior, to balance the optimization pressure placed on two terms of a lower bound on the marginal likelihood of the sequential data. We test the model on two datasets with probabilistic structures and show that with high values of the meta-prior the network develops deterministic chaos through which the data's randomness is imitated. For low values, the model behaves as a random process. The network performs best on intermediate values, and is able to capture the latent probabilistic structure with good generalization. Analyzing the meta-prior's impact on the network allows to precisely study the theoretical value and practical benefits of incorporating stochastic dynamics in our model. We demonstrate better prediction performance on a robot imitation task with our model using error regression compared to a standard variational Bayes model lacking such a procedure.

This paper addresses a regression problem in which output label values are the results of sensing the magnitude of a phenomenon. A low value of such labels can mean either that the actual magnitude of the phenomenon was low or that the sensor made an incomplete observation. This leads to a bias toward lower values in labels and the resultant learning because labels may have lower values due to incomplete observations, even if the actual magnitude of the phenomenon was high. Moreover, because an incomplete observation does not provide any tags indicating incompleteness, we cannot eliminate or impute them. To address this issue, we propose a learning algorithm that explicitly models incomplete observations corrupted with an asymmetric noise that always has a negative value. We show that our algorithm is unbiased as if it were learned from uncorrupted data that does not involve incomplete observations. We demonstrate the advantages of our algorithm through numerical experiments.

Chain-of-Thought (CoT) Prompting is a dominant paradigm in Large Language Models (LLMs) to enhance complex reasoning. It guides LLMs to present multi-step reasoning, rather than generating the final answer directly. However, CoT encounters difficulties when key information required for reasoning is implicit or missing. This occurs because CoT emphasizes the sequence of reasoning steps while overlooking the early extraction of essential information. We propose a pre-prompting method called Iterative Summarization Pre-Prompting (ISP^2) to refine LLM reasoning when key information is not explicitly provided. First, entities and their corresponding descriptions are extracted to form potential key information pairs. Next, we use a reliability rating to assess these pairs, then merge the two lowest-ranked pairs into a new entity description. This process is repeated until a unique key information pair is obtained. Finally, that pair, along with the original question, is fed into LLMs to produce the answer. Extensive experiments demonstrate a 7.1% improvement compared to existing methods. Unlike traditional prompting, ISP^2 adopts an inductive approach with pre-prompting, offering flexible integration into diverse reasoning frameworks. The code is available at https://github.com/zdhgreat/ISP-2.

We identify incremental learning dynamics in transformers, where the difference between trained and initial weights progressively increases in rank. We rigorously prove this occurs under the simplifying assumptions of diagonal weight matrices and small initialization. Our experiments support the theory and also show that phenomenon can occur in practice without the simplifying assumptions.

Machine learning models will often fail when deployed in an environment with a data distribution that is different than the training distribution. When multiple environments are available during training, many methods exist that learn representations which are invariant across the different distributions, with the hope that these representations will be transportable to unseen domains. In this work, we present a nonparametric strategy for learning invariant representations based on the recently-proposed Nadaraya-Watson (NW) head. The NW head makes a prediction by comparing the learned representations of the query to the elements of a support set that consists of labeled data. We demonstrate that by manipulating the support set, one can encode different causal assumptions. In particular, restricting the support set to a single environment encourages the model to learn invariant features that do not depend on the environment. We present a causally-motivated setup for our modeling and training strategy and validate on three challenging real-world domain generalization tasks in computer vision.

It remains an open question whether incorporating external knowledge benefits commonsense reasoning while maintaining the flexibility of pretrained sequence models. To investigate this question, we develop generated knowledge prompting, which consists of generating knowledge from a language model, then providing the knowledge as additional input when answering a question. Our method does not require task-specific supervision for knowledge integration, or access to a structured knowledge base, yet it improves performance of large-scale, state-of-the-art models on four commonsense reasoning tasks, achieving state-of-the-art results on numerical commonsense (NumerSense), general commonsense (CommonsenseQA 2.0), and scientific commonsense (QASC) benchmarks. Generated knowledge prompting highlights large-scale language models as flexible sources of external knowledge for improving commonsense reasoning. Our code is available at https://github.com/liujch1998/GKP

Explainability methods for NLP systems encounter a version of the fundamental problem of causal inference: for a given ground-truth input text, we never truly observe the counterfactual texts necessary for isolating the causal effects of model representations on outputs. In response, many explainability methods make no use of counterfactual texts, assuming they will be unavailable. In this paper, we show that robust causal explainability methods can be created using approximate counterfactuals, which can be written by humans to approximate a specific counterfactual or simply sampled using metadata-guided heuristics. The core of our proposal is the Causal Proxy Model (CPM). A CPM explains a black-box model N because it is trained to have the same actual input/output behavior as N while creating neural representations that can be intervened upon to simulate the counterfactual input/output behavior of N. Furthermore, we show that the best CPM for N performs comparably to N in making factual predictions, which means that the CPM can simply replace N, leading to more explainable deployed models. Our code is available at https://github.com/frankaging/Causal-Proxy-Model.

Efficiently and flexibly estimating treatment effect heterogeneity is an important task in a wide variety of settings ranging from medicine to marketing, and there are a considerable number of promising conditional average treatment effect estimators currently available. These, however, typically rely on the assumption that the measured covariates are enough to justify conditional exchangeability. We propose the P-learner, motivated by the R- and DR-learner, a tailored two-stage loss function for learning heterogeneous treatment effects in settings where exchangeability given observed covariates is an implausible assumption, and we wish to rely on proxy variables for causal inference. Our proposed estimator can be implemented by off-the-shelf loss-minimizing machine learning methods, which in the case of kernel regression satisfies an oracle bound on the estimated error as long as the nuisance components are estimated reasonably well.

Large language models (LLMs) are trained to imitate humans to explain human decisions. However, do LLMs explain themselves? Can they help humans build mental models of how LLMs process different inputs? To answer these questions, we propose to evaluate counterfactual simulatability of natural language explanations: whether an explanation can enable humans to precisely infer the model's outputs on diverse counterfactuals of the explained input. For example, if a model answers "yes" to the input question "Can eagles fly?" with the explanation "all birds can fly", then humans would infer from the explanation that it would also answer "yes" to the counterfactual input "Can penguins fly?". If the explanation is precise, then the model's answer should match humans' expectations. We implemented two metrics based on counterfactual simulatability: precision and generality. We generated diverse counterfactuals automatically using LLMs. We then used these metrics to evaluate state-of-the-art LLMs (e.g., GPT-4) on two tasks: multi-hop factual reasoning and reward modeling. We found that LLM's explanations have low precision and that precision does not correlate with plausibility. Therefore, naively optimizing human approvals (e.g., RLHF) may not be a sufficient solution.

We present a constraint-based algorithm for learning causal structures from observational time-series data, in the presence of latent confounders. We assume a discrete-time, stationary structural vector autoregressive process, with both temporal and contemporaneous causal relations. One may ask if temporal and contemporaneous relations should be treated differently. The presented algorithm gradually refines a causal graph by learning long-term temporal relations before short-term ones, where contemporaneous relations are learned last. This ordering of causal relations to be learnt leads to a reduction in the required number of statistical tests. We validate this reduction empirically and demonstrate that it leads to higher accuracy for synthetic data and more plausible causal graphs for real-world data compared to state-of-the-art algorithms.

Algorithms for min-max optimization and variational inequalities are often studied under monotonicity assumptions. Motivated by non-monotone machine learning applications, we follow the line of works [Diakonikolas et al., 2021, Lee and Kim, 2021, Pethick et al., 2022, B\"ohm, 2022] aiming at going beyond monotonicity by considering the weaker negative comonotonicity assumption. In particular, we provide tight complexity analyses for the Proximal Point, Extragradient, and Optimistic Gradient methods in this setup, closing some questions on their working guarantees beyond monotonicity.

Reverse derivative categories (RDCs) have recently been shown to be a suitable semantic framework for studying machine learning algorithms. Whereas emphasis has been put on training methodologies, less attention has been devoted to particular model classes: the concrete categories whose morphisms represent machine learning models. In this paper we study presentations by generators and equations of classes of RDCs. In particular, we propose polynomial circuits as a suitable machine learning model. We give an axiomatisation for these circuits and prove a functional completeness result. Finally, we discuss the use of polynomial circuits over specific semirings to perform machine learning with discrete values.

We propose a deep learning methodology for multivariate regression that is based on pattern recognition that triggers fast learning over sensor data. We used a conversion of sensors-to-image which enables us to take advantage of Computer Vision architectures and training processes. In addition to this data preparation methodology, we explore the use of state-of-the-art architectures to generate regression outputs to predict agricultural crop continuous yield information. Finally, we compare with some of the top models reported in MLCAS2021. We found that using a straightforward training process, we were able to accomplish an MAE of 4.394, RMSE of 5.945, and R^2 of 0.861.

In "Backprop as functor", the authors show that the fundamental elements of deep learning -- gradient descent and backpropagation -- can be conceptualized as a strong monoidal functor Para(Euc)toLearn from the category of parameterized Euclidean spaces to that of learners, a category developed explicitly to capture parameter update and backpropagation. It was soon realized that there is an isomorphism LearncongPara(Slens), where Slens is the symmetric monoidal category of simple lenses as used in functional programming. In this note, we observe that Slens is a full subcategory of Poly, the category of polynomial functors in one variable, via the functor Amapsto Ay^A. Using the fact that (Poly,otimes) is monoidal closed, we show that a map Ato B in Para(Slens) has a natural interpretation in terms of dynamical systems (more precisely, generalized Moore machines) whose interface is the internal-hom type [Ay^A,By^B]. Finally, we review the fact that the category p-Coalg of dynamical systems on any p in Poly forms a topos, and consider the logical propositions that can be stated in its internal language. We give gradient descent as an example, and we conclude by discussing some directions for future work.

Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks but their performance in complex logical reasoning tasks remains unsatisfactory. Although some prompting methods, such as Chain-of-Thought, can improve the reasoning ability of LLMs to some extent, they suffer from an unfaithful issue where derived conclusions may not align with the generated reasoning chain. To address this issue, some studies employ the approach of propositional logic to further enhance logical reasoning abilities of LLMs. However, the potential omissions in the extraction of logical expressions in these methods can cause information loss in the logical reasoning process, thereby generating incorrect results. To this end, we propose Logic-of-Thought (LoT) prompting which employs propositional logic to generate expanded logical information from input context, and utilizes the generated logical information as an additional augmentation to the input prompts, thereby enhancing the capability of logical reasoning. The LoT is orthogonal to existing prompting methods and can be seamlessly integrated with them. Extensive experiments demonstrate that LoT boosts the performance of various prompting methods with a striking margin across five logical reasoning tasks. In particular, the LoT enhances Chain-of-Thought's performance on the ReClor dataset by +4.35%; moreover, it improves Chain-of-Thought with Self-Consistency's performance on LogiQA by +5%; additionally, it boosts performance of Tree-of-Thoughts on ProofWriter dataset by +8%.