Daily Papers

This work uniquely identifies and characterizes four prevalent multimodal model architectural patterns in the contemporary multimodal landscape. Systematically categorizing models by architecture type facilitates monitoring of developments in the multimodal domain. Distinct from recent survey papers that present general information on multimodal architectures, this research conducts a comprehensive exploration of architectural details and identifies four specific architectural types. The types are distinguished by their respective methodologies for integrating multimodal inputs into the deep neural network model. The first two types (Type A and B) deeply fuses multimodal inputs within the internal layers of the model, whereas the following two types (Type C and D) facilitate early fusion at the input stage. Type-A employs standard cross-attention, whereas Type-B utilizes custom-designed layers for modality fusion within the internal layers. On the other hand, Type-C utilizes modality-specific encoders, while Type-D leverages tokenizers to process the modalities at the model's input stage. The identified architecture types aid the monitoring of any-to-any multimodal model development. Notably, Type-C and Type-D are currently favored in the construction of any-to-any multimodal models. Type-C, distinguished by its non-tokenizing multimodal model architecture, is emerging as a viable alternative to Type-D, which utilizes input-tokenizing techniques. To assist in model selection, this work highlights the advantages and disadvantages of each architecture type based on data and compute requirements, architecture complexity, scalability, simplification of adding modalities, training objectives, and any-to-any multimodal generation capability.

Loss spikes often occur during pre-training of large language models. The spikes degrade the performance of large language models and sometimes ruin the pre-training. Since the pre-training needs a vast computational budget, we should avoid such spikes. To investigate the cause of loss spikes, we focus on gradients of internal layers. Through theoretical analyses, we reveal two causes of the exploding gradients, and provide requirements to prevent the explosion. In addition, we propose a method to satisfy the requirements by combining the initialization method and a simple modification to embeddings. We conduct various experiments to verify our theoretical analyses empirically. Experimental results indicate that the combination is effective in preventing spikes during pre-training.

Text-to-music models allow users to generate nearly realistic musical audio with textual commands. However, editing music audios remains challenging due to the conflicting desiderata of performing fine-grained alterations on the audio while maintaining a simple user interface. To address this challenge, we propose Audio Prompt Adapter (or AP-Adapter), a lightweight addition to pretrained text-to-music models. We utilize AudioMAE to extract features from the input audio, and construct attention-based adapters to feedthese features into the internal layers of AudioLDM2, a diffusion-based text-to-music model. With 22M trainable parameters, AP-Adapter empowers users to harness both global (e.g., genre and timbre) and local (e.g., melody) aspects of music, using the original audio and a short text as inputs. Through objective and subjective studies, we evaluate AP-Adapter on three tasks: timbre transfer, genre transfer, and accompaniment generation. Additionally, we demonstrate its effectiveness on out-of-domain audios containing unseen instruments during training.

In Autonomous Driving (AD) transparency and safety are paramount, as mistakes are costly. However, neural networks used in AD systems are generally considered black boxes. As a countermeasure, we have methods of explainable AI (XAI), such as feature relevance estimation and dimensionality reduction. Coarse graining techniques can also help reduce dimensionality and find interpretable global patterns. A specific coarse graining method is Renormalization Groups from statistical physics. It has previously been applied to Restricted Boltzmann Machines (RBMs) to interpret unsupervised learning. We refine this technique by building a transparent backbone model for convolutional variational autoencoders (VAE) that allows mapping latent values to input features and has performance comparable to trained black box VAEs. Moreover, we propose a custom feature map visualization technique to analyze the internal convolutional layers in the VAE to explain internal causes of poor reconstruction that may lead to dangerous traffic scenarios in AD applications. In a second key contribution, we propose explanation and evaluation techniques for the internal dynamics and feature relevance of prediction networks. We test a long short-term memory (LSTM) network in the computer vision domain to evaluate the predictability and in future applications potentially safety of prediction models. We showcase our methods by analyzing a VAE-LSTM world model that predicts pedestrian perception in an urban traffic situation.

Despite their nearly universal adoption for large language models, the internal workings of transformers are not well understood. We aim to better understand the impact of removing or reorganizing information throughout the layers of a pretrained transformer. Such an understanding could both yield better usage of existing models as well as to make architectural improvements to produce new variants. We present a series of empirical studies on frozen models that show that the lower and final layers of pretrained transformers differ from middle layers, but that middle layers have a surprising amount of uniformity. We further show that some classes of problems have robustness to skipping layers, running the layers in an order different from how they were trained, or running the layers in parallel. Our observations suggest that even frozen pretrained models may gracefully trade accuracy for latency by skipping layers or running layers in parallel.

Large language models (LLMs) have demonstrated impressive capabilities in various reasoning tasks, aided by techniques like chain-of-thought (CoT) prompting that elicits verbalized reasoning. However, LLMs often generate text with obvious mistakes and contradictions, raising doubts about their ability to robustly process and utilize generated rationales. In this work, we investigate CoT reasoning in LLMs through the lens of internal representations, focusing on how these representations are influenced by generated rationales. Our preliminary analysis reveals that while generated rationales improve answer accuracy, inconsistencies emerge between the model's internal representations in middle layers and those in final layers, potentially undermining the reliability of their reasoning processes. To address this, we propose internal consistency as a measure of the model's confidence by examining the agreement of latent predictions decoded from intermediate layers. Extensive empirical studies across different models and datasets demonstrate that internal consistency effectively distinguishes between correct and incorrect reasoning paths. Motivated by this, we propose a new approach to calibrate CoT reasoning by up-weighting reasoning paths with high internal consistency, resulting in a significant boost in reasoning performance. Further analysis uncovers distinct patterns in attention and feed-forward modules across layers, providing insights into the emergence of internal inconsistency. In summary, our results demonstrate the potential of using internal representations for self-evaluation of LLMs.

Federated learning (FL) inevitably confronts the challenge of system heterogeneity in practical scenarios. To enhance the capabilities of most model-homogeneous FL methods in handling system heterogeneity, we propose a training scheme that can extend their capabilities to cope with this challenge. In this paper, we commence our study with a detailed exploration of homogeneous and heterogeneous FL settings and discover three key observations: (1) a positive correlation between client performance and layer similarities, (2) higher similarities in the shallow layers in contrast to the deep layers, and (3) the smoother gradients distributions indicate the higher layer similarities. Building upon these observations, we propose InCo Aggregation that leverages internal cross-layer gradients, a mixture of gradients from shallow and deep layers within a server model, to augment the similarity in the deep layers without requiring additional communication between clients. Furthermore, our methods can be tailored to accommodate model-homogeneous FL methods such as FedAvg, FedProx, FedNova, Scaffold, and MOON, to expand their capabilities to handle the system heterogeneity. Copious experimental results validate the effectiveness of InCo Aggregation, spotlighting internal cross-layer gradients as a promising avenue to enhance the performance in heterogeneous FL.

Large Language Models (LLMs) have demonstrated remarkable capabilities in handling long context inputs, but this comes at the cost of increased computational resources and latency. Our research introduces a novel approach for the long context bottleneck to accelerate LLM inference and reduce GPU memory consumption. Our research demonstrates that LLMs can identify relevant tokens in the early layers before generating answers to a query. Leveraging this insight, we propose an algorithm that uses early layers of an LLM as filters to select and compress input tokens, significantly reducing the context length for subsequent processing. Our method, GemFilter, demonstrates substantial improvements in both speed and memory efficiency compared to existing techniques, such as standard attention and SnapKV/H2O. Notably, it achieves a 2.4times speedup and 30\% reduction in GPU memory usage compared to SOTA methods. Evaluation on the Needle in a Haystack task shows that GemFilter significantly outperforms standard attention, SnapKV and demonstrates comparable performance on the LongBench challenge. GemFilter is simple, training-free, and broadly applicable across different LLMs. Crucially, it provides interpretability by allowing humans to inspect the selected input sequence. These findings not only offer practical benefits for LLM deployment, but also enhance our understanding of LLM internal mechanisms, paving the way for further optimizations in LLM design and inference. Our code is available at https://github.com/SalesforceAIResearch/GemFilter.

Large language models (LLMs) face inherent performance bottlenecks under parameter constraints, particularly in processing critical tokens that demand complex reasoning. Empirical analysis reveals challenging tokens induce abrupt gradient spikes across layers, exposing architectural stress points in standard Transformers. Building on this insight, we propose Inner Thinking Transformer (ITT), which reimagines layer computations as implicit thinking steps. ITT dynamically allocates computation through Adaptive Token Routing, iteratively refines representations via Residual Thinking Connections, and distinguishes reasoning phases using Thinking Step Encoding. ITT enables deeper processing of critical tokens without parameter expansion. Evaluations across 162M-466M parameter models show ITT achieves 96.5\% performance of a 466M Transformer using only 162M parameters, reduces training data by 43.2\%, and outperforms Transformer/Loop variants in 11 benchmarks. By enabling elastic computation allocation during inference, ITT balances performance and efficiency through architecture-aware optimization of implicit thinking pathways.

Transformer-based language models (LMs) are at the core of modern NLP, but their internal prediction construction process is opaque and largely not understood. In this work, we make a substantial step towards unveiling this underlying prediction process, by reverse-engineering the operation of the feed-forward network (FFN) layers, one of the building blocks of transformer models. We view the token representation as a changing distribution over the vocabulary, and the output from each FFN layer as an additive update to that distribution. Then, we analyze the FFN updates in the vocabulary space, showing that each update can be decomposed to sub-updates corresponding to single FFN parameter vectors, each promoting concepts that are often human-interpretable. We then leverage these findings for controlling LM predictions, where we reduce the toxicity of GPT2 by almost 50%, and for improving computation efficiency with a simple early exit rule, saving 20% of computation on average.

Democratization of machine learning requires architectures that automatically adapt to new problems. Neural Differential Equations (NDEs) have emerged as a popular modeling framework by removing the need for ML practitioners to choose the number of layers in a recurrent model. While we can control the computational cost by choosing the number of layers in standard architectures, in NDEs the number of neural network evaluations for a forward pass can depend on the number of steps of the adaptive ODE solver. But, can we force the NDE to learn the version with the least steps while not increasing the training cost? Current strategies to overcome slow prediction require high order automatic differentiation, leading to significantly higher training time. We describe a novel regularization method that uses the internal cost heuristics of adaptive differential equation solvers combined with discrete adjoint sensitivities to guide the training process towards learning NDEs that are easier to solve. This approach opens up the blackbox numerical analysis behind the differential equation solver's algorithm and directly uses its local error estimates and stiffness heuristics as cheap and accurate cost estimates. We incorporate our method without any change in the underlying NDE framework and show that our method extends beyond Ordinary Differential Equations to accommodate Neural Stochastic Differential Equations. We demonstrate how our approach can halve the prediction time and, unlike other methods which can increase the training time by an order of magnitude, we demonstrate similar reduction in training times. Together this showcases how the knowledge embedded within state-of-the-art equation solvers can be used to enhance machine learning.

Understanding what defines a good representation in large language models (LLMs) is fundamental to both theoretical understanding and practical applications. In this paper, we investigate the quality of intermediate representations in various LLM architectures, including Transformers and State Space Models (SSMs). We find that intermediate layers often yield more informative representations for downstream tasks than the final layers. To measure the representation quality, we adapt and apply a suite of metrics - such as prompt entropy, curvature, and augmentation-invariance - originally proposed in other contexts. Our empirical study reveals significant architectural differences, how representations evolve throughout training, and how factors like input randomness and prompt length affect each layer. Notably, we observe a bimodal pattern in the entropy of some intermediate layers and consider potential explanations tied to training data. Overall, our results illuminate the internal mechanics of LLMs and guide strategies for architectural optimization and training.

Transformer layers, which use an alternating pattern of multi-head attention and multi-layer perceptron (MLP) layers, provide an effective tool for a variety of machine learning problems. As the transformer layers use residual connections to avoid the problem of vanishing gradients, they can be viewed as the numerical integration of a differential equation. In this extended abstract, we build upon this connection and propose a modification of the internal architecture of a transformer layer. The proposed model places the multi-head attention sublayer and the MLP sublayer parallel to each other. Our experiments show that this simple modification improves the performance of transformer networks in multiple tasks. Moreover, for the image classification task, we show that using neural ODE solvers with a sophisticated integration scheme further improves performance.

We investigate the relationship between the geometry of token embeddings and their role in the next token prediction within transformer models. An important aspect of this connection uses the notion of empirical measure, which encodes the distribution of token point clouds across transformer layers and drives the evolution of token representations in the mean-field interacting picture. We use metrics such as intrinsic dimension, neighborhood overlap, and cosine similarity to observationally probe these empirical measures across layers. To validate our approach, we compare these metrics to a dataset where the tokens are shuffled, which disrupts the syntactic and semantic structure. Our findings reveal a correlation between the geometric properties of token embeddings and the cross-entropy loss of next token predictions, implying that prompts with higher loss values have tokens represented in higher-dimensional spaces.

Training Deep Neural Networks is complicated by the fact that the distribution of each layer's inputs changes during training, as the parameters of the previous layers change. This slows down the training by requiring lower learning rates and careful parameter initialization, and makes it notoriously hard to train models with saturating nonlinearities. We refer to this phenomenon as internal covariate shift, and address the problem by normalizing layer inputs. Our method draws its strength from making normalization a part of the model architecture and performing the normalization for each training mini-batch. Batch Normalization allows us to use much higher learning rates and be less careful about initialization. It also acts as a regularizer, in some cases eliminating the need for Dropout. Applied to a state-of-the-art image classification model, Batch Normalization achieves the same accuracy with 14 times fewer training steps, and beats the original model by a significant margin. Using an ensemble of batch-normalized networks, we improve upon the best published result on ImageNet classification: reaching 4.9% top-5 validation error (and 4.8% test error), exceeding the accuracy of human raters.

Despite their vast capabilities, Large Language Models (LLMs) often struggle with generating reliable outputs, frequently producing high-confidence inaccuracies known as hallucinations. Addressing this challenge, our research introduces InternalInspector, a novel framework designed to enhance confidence estimation in LLMs by leveraging contrastive learning on internal states including attention states, feed-forward states, and activation states of all layers. Unlike existing methods that primarily focus on the final activation state, InternalInspector conducts a comprehensive analysis across all internal states of every layer to accurately identify both correct and incorrect prediction processes. By benchmarking InternalInspector against existing confidence estimation methods across various natural language understanding and generation tasks, including factual question answering, commonsense reasoning, and reading comprehension, InternalInspector achieves significantly higher accuracy in aligning the estimated confidence scores with the correctness of the LLM's predictions and lower calibration error. Furthermore, InternalInspector excels at HaluEval, a hallucination detection benchmark, outperforming other internal-based confidence estimation methods in this task.

Vision-Language adaptation (VL adaptation) transforms Large Language Models (LLMs) into Large Vision-Language Models (LVLMs) for multimodal tasks, but this process often compromises the inherent safety capabilities embedded in the original LLMs. Despite potential harmfulness due to weakened safety measures, in-depth analysis on the effects of VL adaptation on safety remains under-explored. This study examines how VL adaptation influences safety and evaluates the impact of safety fine-tuning methods. Our analysis reveals that safety degradation occurs during VL adaptation, even when the training data is safe. While safety tuning techniques like supervised fine-tuning with safety datasets or reinforcement learning from human feedback mitigate some risks, they still lead to safety degradation and a reduction in helpfulness due to over-rejection issues. Further analysis of internal model weights suggests that VL adaptation may impact certain safety-related layers, potentially lowering overall safety levels. Additionally, our findings demonstrate that the objectives of VL adaptation and safety tuning are divergent, which often results in their simultaneous application being suboptimal. To address this, we suggest the weight merging approach as an optimal solution effectively reducing safety degradation while maintaining helpfulness. These insights help guide the development of more reliable and secure LVLMs for real-world applications.

We investigate the internal structure of language model computations using causal analysis and demonstrate two motifs: (1) a form of adaptive computation where ablations of one attention layer of a language model cause another layer to compensate (which we term the Hydra effect) and (2) a counterbalancing function of late MLP layers that act to downregulate the maximum-likelihood token. Our ablation studies demonstrate that language model layers are typically relatively loosely coupled (ablations to one layer only affect a small number of downstream layers). Surprisingly, these effects occur even in language models trained without any form of dropout. We analyse these effects in the context of factual recall and consider their implications for circuit-level attribution in language models.

An obstacle to artificial general intelligence is set by continual learning of multiple tasks of different nature. Recently, various heuristic tricks, both from machine learning and from neuroscience angles, were proposed, but they lack a unified theory ground. Here, we focus on continual learning in single-layered and multi-layered neural networks of binary weights. A variational Bayesian learning setting is thus proposed, where the neural networks are trained in a field-space, rather than gradient-ill-defined discrete-weight space, and furthermore, weight uncertainty is naturally incorporated, and modulates synaptic resources among tasks. From a physics perspective, we translate the variational continual learning into Franz-Parisi thermodynamic potential framework, where previous task knowledge acts as a prior and a reference as well. We thus interpret the continual learning of the binary perceptron in a teacher-student setting as a Franz-Parisi potential computation. The learning performance can then be analytically studied with mean-field order parameters, whose predictions coincide with numerical experiments using stochastic gradient descent methods. Based on the variational principle and Gaussian field approximation of internal preactivations in hidden layers, we also derive the learning algorithm considering weight uncertainty, which solves the continual learning with binary weights using multi-layered neural networks, and performs better than the currently available metaplasticity algorithm. Our proposed principled frameworks also connect to elastic weight consolidation, weight-uncertainty modulated learning, and neuroscience inspired metaplasticity, providing a theory-grounded method for the real-world multi-task learning with deep networks.

Large language models (LLMs) can solve complex multi-step problems, but little is known about how these computations are implemented internally. Motivated by this, we study how LLMs answer multi-hop queries such as "The spouse of the performer of Imagine is". These queries require two information extraction steps: a latent one for resolving the first hop ("the performer of Imagine") into the bridge entity (John Lennon), and one for resolving the second hop ("the spouse of John Lennon") into the target entity (Yoko Ono). Understanding how the latent step is computed internally is key to understanding the overall computation. By carefully analyzing the internal computations of transformer-based LLMs, we discover that the bridge entity is resolved in the early layers of the model. Then, only after this resolution, the two-hop query is solved in the later layers. Because the second hop commences in later layers, there could be cases where these layers no longer encode the necessary knowledge for correctly predicting the answer. Motivated by this, we propose a novel "back-patching" analysis method whereby a hidden representation from a later layer is patched back to an earlier layer. We find that in up to 57% of previously incorrect cases there exists a back-patch that results in the correct generation of the answer, showing that the later layers indeed sometimes lack the needed functionality. Overall our methods and findings open further opportunities for understanding and improving latent reasoning in transformer-based LLMs.

Large language models (LLMs) can store a significant amount of factual knowledge in their parameters. However, their parametric knowledge may conflict with the information provided in the context -- this phenomenon, known as context-memory knowledge conflicts, can lead to undesirable model behaviour, such as reliance on outdated or incorrect information. Analysing the internal activations of LLMs, we find that they can internally register the signals of knowledge conflict at mid-layers. Such signals allow us to detect whether a knowledge conflict occurs and use inference-time intervention strategies to resolve it. In this work, we propose SpARE, a training-free representation engineering method that uses pre-trained sparse auto-encoders (SAEs) to control the knowledge selection behaviour of LLMs. SpARE identifies the functional features that control the knowledge selection behaviours and applies them to edit the internal activations of LLMs at inference time. Our experimental results show that SpARE can effectively control the usage of either knowledge source to resolve knowledge conflict in open-domain question-answering tasks, surpassing existing representation engineering methods (+10%) as well as contrastive decoding methods (+15%).

Convolutional neural networks (CNNs) have so far been the de-facto model for visual data. Recent work has shown that (Vision) Transformer models (ViT) can achieve comparable or even superior performance on image classification tasks. This raises a central question: how are Vision Transformers solving these tasks? Are they acting like convolutional networks, or learning entirely different visual representations? Analyzing the internal representation structure of ViTs and CNNs on image classification benchmarks, we find striking differences between the two architectures, such as ViT having more uniform representations across all layers. We explore how these differences arise, finding crucial roles played by self-attention, which enables early aggregation of global information, and ViT residual connections, which strongly propagate features from lower to higher layers. We study the ramifications for spatial localization, demonstrating ViTs successfully preserve input spatial information, with noticeable effects from different classification methods. Finally, we study the effect of (pretraining) dataset scale on intermediate features and transfer learning, and conclude with a discussion on connections to new architectures such as the MLP-Mixer.

In this study, we investigate whether non-English-centric LLMs, despite their strong performance, `think' in their respective dominant language: more precisely, `think' refers to how the representations of intermediate layers, when un-embedded into the vocabulary space, exhibit higher probabilities for certain dominant languages during generation. We term such languages as internal latent languages. We examine the latent language of three typical categories of models for Japanese processing: Llama2, an English-centric model; Swallow, an English-centric model with continued pre-training in Japanese; and LLM-jp, a model pre-trained on balanced English and Japanese corpora. Our empirical findings reveal that, unlike Llama2 which relies exclusively on English as the internal latent language, Japanese-specific Swallow and LLM-jp employ both Japanese and English, exhibiting dual internal latent languages. For any given target language, the model preferentially activates the latent language most closely related to it. In addition, we explore how intermediate layers respond to questions involving cultural conflicts between latent internal and target output languages. We further explore how the language identity shifts across layers while keeping consistent semantic meaning reflected in the intermediate layer representations. This study deepens the understanding of non-English-centric large language models, highlighting the intricate dynamics of language representation within their intermediate layers.

Decomposing model activations into interpretable components is a key open problem in mechanistic interpretability. Sparse autoencoders (SAEs) are a popular method for decomposing the internal activations of trained transformers into sparse, interpretable features, and have been applied to MLP layers and the residual stream. In this work we train SAEs on attention layer outputs and show that also here SAEs find a sparse, interpretable decomposition. We demonstrate this on transformers from several model families and up to 2B parameters. We perform a qualitative study of the features computed by attention layers, and find multiple families: long-range context, short-range context and induction features. We qualitatively study the role of every head in GPT-2 Small, and estimate that at least 90% of the heads are polysemantic, i.e. have multiple unrelated roles. Further, we show that Sparse Autoencoders are a useful tool that enable researchers to explain model behavior in greater detail than prior work. For example, we explore the mystery of why models have so many seemingly redundant induction heads, use SAEs to motivate the hypothesis that some are long-prefix whereas others are short-prefix, and confirm this with more rigorous analysis. We use our SAEs to analyze the computation performed by the Indirect Object Identification circuit (Wang et al.), validating that the SAEs find causally meaningful intermediate variables, and deepening our understanding of the semantics of the circuit. We open-source the trained SAEs and a tool for exploring arbitrary prompts through the lens of Attention Output SAEs.

We explore a key architectural aspect of deep convolutional neural networks: the pattern of internal skip connections used to aggregate outputs of earlier layers for consumption by deeper layers. Such aggregation is critical to facilitate training of very deep networks in an end-to-end manner. This is a primary reason for the widespread adoption of residual networks, which aggregate outputs via cumulative summation. While subsequent works investigate alternative aggregation operations (e.g. concatenation), we focus on an orthogonal question: which outputs to aggregate at a particular point in the network. We propose a new internal connection structure which aggregates only a sparse set of previous outputs at any given depth. Our experiments demonstrate this simple design change offers superior performance with fewer parameters and lower computational requirements. Moreover, we show that sparse aggregation allows networks to scale more robustly to 1000+ layers, thereby opening future avenues for training long-running visual processes.

State space models (SSMs), such as Mamba, have emerged as an efficient alternative to transformers for long-context sequence modeling. However, despite their growing adoption, SSMs lack the interpretability tools that have been crucial for understanding and improving attention-based architectures. While recent efforts provide insights into Mamba's internal mechanisms, they do not explicitly decompose token-wise contributions, leaving gaps in understanding how Mamba selectively processes sequences across layers. In this work, we introduce LaTIM, a novel token-level decomposition method for both Mamba-1 and Mamba-2 that enables fine-grained interpretability. We extensively evaluate our method across diverse tasks, including machine translation, copying, and retrieval-based generation, demonstrating its effectiveness in revealing Mamba's token-to-token interaction patterns.

Sparse autoencoders (SAEs) have gained a lot of attention as a promising tool to improve the interpretability of large language models (LLMs) by mapping the complex superposition of polysemantic neurons into monosemantic features and composing a sparse dictionary of words. However, traditional performance metrics like Mean Squared Error and L0 sparsity ignore the evaluation of the semantic representational power of SAEs -- whether they can acquire interpretable monosemantic features while preserving the semantic relationship of words. For instance, it is not obvious whether a learned sparse feature could distinguish different meanings in one word. In this paper, we propose a suite of evaluations for SAEs to analyze the quality of monosemantic features by focusing on polysemous words. Our findings reveal that SAEs developed to improve the MSE-L0 Pareto frontier may confuse interpretability, which does not necessarily enhance the extraction of monosemantic features. The analysis of SAEs with polysemous words can also figure out the internal mechanism of LLMs; deeper layers and the Attention module contribute to distinguishing polysemy in a word. Our semantics focused evaluation offers new insights into the polysemy and the existing SAE objective and contributes to the development of more practical SAEs.

Recently, retrieval augmentation and tool augmentation have demonstrated a remarkable capability to expand the internal memory boundaries of language models (LMs) by providing external context. However, internal memory and external context inevitably clash, leading to knowledge conflicts within LMs. In this paper, we aim to interpret the mechanism of knowledge conflicts through the lens of information flow, and then mitigate conflicts by precise interventions at the pivotal point. We find there are some attention heads with opposite effects in the later layers, where memory heads can recall knowledge from internal memory, and context heads can retrieve knowledge from external context. Moreover, we reveal that the pivotal point at which knowledge conflicts emerge in LMs is the integration of inconsistent information flows by memory heads and context heads. Inspired by the insights, we propose a novel method called Pruning Head via PatH PatcHing (PH3), which can efficiently mitigate knowledge conflicts by pruning conflicting attention heads without updating model parameters. PH3 can flexibly control eight LMs to use internal memory (uparrow 44.0%) or external context (uparrow 38.5%). Moreover, PH3 can also improve the performance of LMs on open-domain QA tasks. We also conduct extensive experiments to demonstrate the cross-model, cross-relation, and cross-format generalization of our method.

Limited computational budgets often prevent transformers from being used in production and from having their high accuracy utilized. A knowledge distillation approach addresses the computational efficiency by self-distilling BERT into a smaller transformer representation having fewer layers and smaller internal embedding. However, the performance of these models drops as we reduce the number of layers, notably in advanced NLP tasks such as span question answering. In addition, a separate model must be trained for each inference scenario with its distinct computational budget. Dynamic-TinyBERT tackles both limitations by partially implementing the Length Adaptive Transformer (LAT) technique onto TinyBERT, achieving x3 speedup over BERT-base with minimal accuracy loss. In this work, we expand the Dynamic-TinyBERT approach to generate a much more highly efficient model. We use MiniLM distillation jointly with the LAT method, and we further enhance the efficiency by applying low-bit quantization. Our quantized length-adaptive MiniLM model (QuaLA-MiniLM) is trained only once, dynamically fits any inference scenario, and achieves an accuracy-efficiency trade-off superior to any other efficient approaches per any computational budget on the SQuAD1.1 dataset (up to x8.8 speedup with <1% accuracy loss). The code to reproduce this work is publicly available on Github.

Limited computational budgets often prevent transformers from being used in production and from having their high accuracy utilized. TinyBERT addresses the computational efficiency by self-distilling BERT into a smaller transformer representation having fewer layers and smaller internal embedding. However, TinyBERT's performance drops when we reduce the number of layers by 50%, and drops even more abruptly when we reduce the number of layers by 75% for advanced NLP tasks such as span question answering. Additionally, a separate model must be trained for each inference scenario with its distinct computational budget. In this work we present Dynamic-TinyBERT, a TinyBERT model that utilizes sequence-length reduction and Hyperparameter Optimization for enhanced inference efficiency per any computational budget. Dynamic-TinyBERT is trained only once, performing on-par with BERT and achieving an accuracy-speedup trade-off superior to any other efficient approaches (up to 3.3x with <1% loss-drop). Upon publication, the code to reproduce our work will be open-sourced.

Generative Adversarial Networks (GANs) have recently achieved impressive results for many real-world applications, and many GAN variants have emerged with improvements in sample quality and training stability. However, they have not been well visualized or understood. How does a GAN represent our visual world internally? What causes the artifacts in GAN results? How do architectural choices affect GAN learning? Answering such questions could enable us to develop new insights and better models. In this work, we present an analytic framework to visualize and understand GANs at the unit-, object-, and scene-level. We first identify a group of interpretable units that are closely related to object concepts using a segmentation-based network dissection method. Then, we quantify the causal effect of interpretable units by measuring the ability of interventions to control objects in the output. We examine the contextual relationship between these units and their surroundings by inserting the discovered object concepts into new images. We show several practical applications enabled by our framework, from comparing internal representations across different layers, models, and datasets, to improving GANs by locating and removing artifact-causing units, to interactively manipulating objects in a scene. We provide open source interpretation tools to help researchers and practitioners better understand their GAN models.

Large Vision-Language Models (LVLMs) can reason effectively over both textual and visual inputs, but they tend to hallucinate syntactically coherent yet visually ungrounded contents. In this paper, we investigate the internal dynamics of hallucination by examining the tokens logits rankings throughout the generation process, revealing three key patterns in how LVLMs process information: (1) gradual visual information loss -- visually grounded tokens gradually become less favored throughout generation, and (2) early excitation -- semantically meaningful tokens achieve peak activation in the layers earlier than the final layer. (3) hidden genuine information -- visually grounded tokens though not being eventually decided still retain relatively high rankings at inference. Based on these insights, we propose VISTA (Visual Information Steering with Token-logit Augmentation), a training-free inference-time intervention framework that reduces hallucination while promoting genuine information. VISTA works by combining two complementary approaches: reinforcing visual information in activation space and leveraging early layer activations to promote semantically meaningful decoding. Compared to existing methods, VISTA requires no external supervision and is applicable to various decoding strategies. Extensive experiments show that VISTA on average reduces hallucination by abount 40% on evaluated open-ended generation task, and it consistently outperforms existing methods on four benchmarks across four architectures under three decoding strategies.

Transformer-based Large Language Models (LLMs) are the state-of-the-art for natural language tasks. Recent work has attempted to decode, by reverse engineering the role of linear layers, the internal mechanisms by which LLMs arrive at their final predictions for text completion tasks. Yet little is known about the specific role of attention heads in producing the final token prediction. We propose Attention Lens, a tool that enables researchers to translate the outputs of attention heads into vocabulary tokens via learned attention-head-specific transformations called lenses. Preliminary findings from our trained lenses indicate that attention heads play highly specialized roles in language models. The code for Attention Lens is available at github.com/msakarvadia/AttentionLens.

Diffusion models have been shown to be capable of generating high-quality images, suggesting that they could contain meaningful internal representations. Unfortunately, the feature maps that encode a diffusion model's internal information are spread not only over layers of the network, but also over diffusion timesteps, making it challenging to extract useful descriptors. We propose Diffusion Hyperfeatures, a framework for consolidating multi-scale and multi-timestep feature maps into per-pixel feature descriptors that can be used for downstream tasks. These descriptors can be extracted for both synthetic and real images using the generation and inversion processes. We evaluate the utility of our Diffusion Hyperfeatures on the task of semantic keypoint correspondence: our method achieves superior performance on the SPair-71k real image benchmark. We also demonstrate that our method is flexible and transferable: our feature aggregation network trained on the inversion features of real image pairs can be used on the generation features of synthetic image pairs with unseen objects and compositions. Our code is available at https://diffusion-hyperfeatures.github.io.

Large scale deep learning model, such as modern language models and diffusion architectures, have revolutionized applications ranging from natural language processing to computer vision. However, their deployment in distributed or decentralized environments raises significant privacy concerns, as sensitive data may be exposed during inference. Traditional techniques like secure multi-party computation, homomorphic encryption, and differential privacy offer partial remedies but often incur substantial computational overhead, latency penalties, or limited compatibility with non-linear network operations. In this work, we introduce Equivariant Encryption (EE), a novel paradigm designed to enable secure, "blind" inference on encrypted data with near zero performance overhead. Unlike fully homomorphic approaches that encrypt the entire computational graph, EE selectively obfuscates critical internal representations within neural network layers while preserving the exact functionality of both linear and a prescribed set of non-linear operations. This targeted encryption ensures that raw inputs, intermediate activations, and outputs remain confidential, even when processed on untrusted infrastructure. We detail the theoretical foundations of EE, compare its performance and integration complexity against conventional privacy preserving techniques, and demonstrate its applicability across a range of architectures, from convolutional networks to large language models. Furthermore, our work provides a comprehensive threat analysis, outlining potential attack vectors and baseline strategies, and benchmarks EE against standard inference pipelines in decentralized settings. The results confirm that EE maintains high fidelity and throughput, effectively bridging the gap between robust data confidentiality and the stringent efficiency requirements of modern, large scale model inference.

Autonomous agents trained using deep reinforcement learning (RL) often lack the ability to successfully generalise to new environments, even when these environments share characteristics with the ones they have encountered during training. In this work, we investigate how the sampling of individual environment instances, or levels, affects the zero-shot generalisation (ZSG) ability of RL agents. We discover that, for deep actor-critic architectures sharing their base layers, prioritising levels according to their value loss minimises the mutual information between the agent's internal representation and the set of training levels in the generated training data. This provides a novel theoretical justification for the regularisation achieved by certain adaptive sampling strategies. We then turn our attention to unsupervised environment design (UED) methods, which assume control over level generation. We find that existing UED methods can significantly shift the training distribution, which translates to low ZSG performance. To prevent both overfitting and distributional shift, we introduce data-regularised environment design (DRED). DRED generates levels using a generative model trained to approximate the ground truth distribution of an initial set of level parameters. Through its grounding, DRED achieves significant improvements in ZSG over adaptive level sampling strategies and UED methods. Our code and experimental data are available at https://github.com/uoe-agents/dred.

Efficient real-world deployments of large language models (LLMs) rely on Key-Value (KV) caching for processing and generating long outputs, reducing the need for repetitive computation. For large contexts, Key-Value caches can take up tens of gigabytes of device memory, as they store vector representations for each token and layer. Recent work has shown that the cached vectors can be compressed through quantization, pruning or merging, but these techniques often compromise quality towards higher compression rates. In this work, we aim to improve Key & Value compression by exploiting two observations: 1) the inherent dependencies between keys and values across different layers, and 2) high-compression mechanisms for internal network states. We propose AQUA-KV, an adaptive quantization for Key-Value caches that relies on compact adapters to exploit existing dependencies between Keys and Values, and aims to "optimally" compress the information that cannot be predicted. AQUA-KV significantly improves compression rates, while maintaining high accuracy on state-of-the-art LLM families. On Llama 3.2 LLMs, we achieve near-lossless inference at 2-2.5 bits per value with under 1% relative error in perplexity and LongBench scores. AQUA-KV is one-shot, simple, and efficient: it can be calibrated on a single GPU within 1-6 hours, even for 70B models.

We find arithmetic ability resides within a limited number of attention heads, with each head specializing in distinct operations. To delve into the reason, we introduce the Comparative Neuron Analysis (CNA) method, which identifies an internal logic chain consisting of four distinct stages from input to prediction: feature enhancing with shallow FFN neurons, feature transferring by shallow attention layers, feature predicting by arithmetic heads, and prediction enhancing among deep FFN neurons. Moreover, we identify the human-interpretable FFN neurons within both feature-enhancing and feature-predicting stages. These findings lead us to investigate the mechanism of LoRA, revealing that it enhances prediction probabilities by amplifying the coefficient scores of FFN neurons related to predictions. Finally, we apply our method in model pruning for arithmetic tasks and model editing for reducing gender bias. Code is on https://github.com/zepingyu0512/arithmetic-mechanism.

Scene text recognition has attracted a great many researches due to its importance to various applications. Existing methods mainly adopt recurrence or convolution based networks. Though have obtained good performance, these methods still suffer from two limitations: slow training speed due to the internal recurrence of RNNs, and high complexity due to stacked convolutional layers for long-term feature extraction. This paper, for the first time, proposes a no-recurrence sequence-to-sequence text recognizer, named NRTR, that dispenses with recurrences and convolutions entirely. NRTR follows the encoder-decoder paradigm, where the encoder uses stacked self-attention to extract image features, and the decoder applies stacked self-attention to recognize texts based on encoder output. NRTR relies solely on self-attention mechanism thus could be trained with more parallelization and less complexity. Considering scene image has large variation in text and background, we further design a modality-transform block to effectively transform 2D input images to 1D sequences, combined with the encoder to extract more discriminative features. NRTR achieves state-of-the-art or highly competitive performance on both regular and irregular benchmarks, while requires only a small fraction of training time compared to the best model from the literature (at least 8 times faster).

We introduce a design strategy for neural network macro-architecture based on self-similarity. Repeated application of a simple expansion rule generates deep networks whose structural layouts are precisely truncated fractals. These networks contain interacting subpaths of different lengths, but do not include any pass-through or residual connections; every internal signal is transformed by a filter and nonlinearity before being seen by subsequent layers. In experiments, fractal networks match the excellent performance of standard residual networks on both CIFAR and ImageNet classification tasks, thereby demonstrating that residual representations may not be fundamental to the success of extremely deep convolutional neural networks. Rather, the key may be the ability to transition, during training, from effectively shallow to deep. We note similarities with student-teacher behavior and develop drop-path, a natural extension of dropout, to regularize co-adaptation of subpaths in fractal architectures. Such regularization allows extraction of high-performance fixed-depth subnetworks. Additionally, fractal networks exhibit an anytime property: shallow subnetworks provide a quick answer, while deeper subnetworks, with higher latency, provide a more accurate answer.

In this paper, the concept of representation learning based on deep neural networks is applied as an alternative to the use of handcrafted features in a method for automatic visual inspection of corroded thermoelectric metallic pipes. A texture convolutional neural network (TCNN) replaces handcrafted features based on Local Phase Quantization (LPQ) and Haralick descriptors (HD) with the advantage of learning an appropriate textural representation and the decision boundaries into a single optimization process. Experimental results have shown that it is possible to reach the accuracy of 99.20% in the task of identifying different levels of corrosion in the internal surface of thermoelectric pipe walls, while using a compact network that requires much less effort in tuning parameters when compared to the handcrafted approach since the TCNN architecture is compact regarding the number of layers and connections. The observed results open up the possibility of using deep neural networks in real-time applications such as the automatic inspection of thermoelectric metal pipes.

Large language models (LLMs) have shown remarkable performances across a wide range of tasks. However, the mechanisms by which these models encode tasks of varying complexities remain poorly understood. In this paper, we explore the hypothesis that LLMs process concepts of varying complexities in different layers, introducing the idea of "Concept Depth" to suggest that more complex concepts are typically acquired in deeper layers. Specifically, we categorize concepts based on their level of abstraction, defining them in the order of increasing complexity within factual, emotional, and inferential tasks. We conduct extensive probing experiments using layer-wise representations across various LLM families (Gemma, LLaMA, QWen) on various datasets spanning the three domains of tasks. Our findings reveal that models could efficiently conduct probing for simpler tasks in shallow layers, and more complex tasks typically necessitate deeper layers for accurate understanding. Additionally, we examine how external factors, such as adding noise to the input and quantizing the model weights, might affect layer-wise representations. Our findings suggest that these factors can impede the development of a conceptual understanding of LLMs until deeper layers are explored. We hope that our proposed concept and experimental insights will enhance the understanding of the mechanisms underlying LLMs. Our codes are available at https://github.com/Luckfort/CD.

While the problem of hallucinations in neural machine translation has long been recognized, so far the progress on its alleviation is very little. Indeed, recently it turned out that without artificially encouraging models to hallucinate, previously existing methods fall short and even the standard sequence log-probability is more informative. It means that characteristics internal to the model can give much more information than we expect, and before using external models and measures, we first need to ask: how far can we go if we use nothing but the translation model itself ? We propose to use a method that evaluates the percentage of the source contribution to a generated translation. Intuitively, hallucinations are translations "detached" from the source, hence they can be identified by low source contribution. This method improves detection accuracy for the most severe hallucinations by a factor of 2 and is able to alleviate hallucinations at test time on par with the previous best approach that relies on external models. Next, if we move away from internal model characteristics and allow external tools, we show that using sentence similarity from cross-lingual embeddings further improves these results.

Recent advancements in large generative models, particularly diffusion-based methods, have significantly enhanced the capabilities of image editing. However, achieving precise control over image composition tasks remains a challenge. Layered representations, which allow for independent editing of image components, are essential for user-driven content creation, yet existing approaches often struggle to decompose image into plausible layers with accurately retained transparent visual effects such as shadows and reflections. We propose LayerDecomp, a generative framework for image layer decomposition which outputs photorealistic clean backgrounds and high-quality transparent foregrounds with faithfully preserved visual effects. To enable effective training, we first introduce a dataset preparation pipeline that automatically scales up simulated multi-layer data with synthesized visual effects. To further enhance real-world applicability, we supplement this simulated dataset with camera-captured images containing natural visual effects. Additionally, we propose a consistency loss which enforces the model to learn accurate representations for the transparent foreground layer when ground-truth annotations are not available. Our method achieves superior quality in layer decomposition, outperforming existing approaches in object removal and spatial editing tasks across several benchmarks and multiple user studies, unlocking various creative possibilities for layer-wise image editing. The project page is https://rayjryang.github.io/LayerDecomp.

Although recent inpainting approaches have demonstrated significant improvements with deep neural networks, they still suffer from artifacts such as blunt structures and abrupt colors when filling in the missing regions. To address these issues, we propose an external-internal inpainting scheme with a monochromic bottleneck that helps image inpainting models remove these artifacts. In the external learning stage, we reconstruct missing structures and details in the monochromic space to reduce the learning dimension. In the internal learning stage, we propose a novel internal color propagation method with progressive learning strategies for consistent color restoration. Extensive experiments demonstrate that our proposed scheme helps image inpainting models produce more structure-preserved and visually compelling results.

Implicit models separate the definition of a layer from the description of its solution process. While implicit layers allow features such as depth to adapt to new scenarios and inputs automatically, this adaptivity makes its computational expense challenging to predict. In this manuscript, we increase the "implicitness" of the DEQ by redefining the method in terms of an infinite time neural ODE, which paradoxically decreases the training cost over a standard neural ODE by 2-4x. Additionally, we address the question: is there a way to simultaneously achieve the robustness of implicit layers while allowing the reduced computational expense of an explicit layer? To solve this, we develop Skip and Skip Reg. DEQ, an implicit-explicit (IMEX) layer that simultaneously trains an explicit prediction followed by an implicit correction. We show that training this explicit predictor is free and even decreases the training time by 1.11-3.19x. Together, this manuscript shows how bridging the dichotomy of implicit and explicit deep learning can combine the advantages of both techniques.

Many deployed learned models are black boxes: given input, returns output. Internal information about the model, such as the architecture, optimisation procedure, or training data, is not disclosed explicitly as it might contain proprietary information or make the system more vulnerable. This work shows that such attributes of neural networks can be exposed from a sequence of queries. This has multiple implications. On the one hand, our work exposes the vulnerability of black-box neural networks to different types of attacks -- we show that the revealed internal information helps generate more effective adversarial examples against the black box model. On the other hand, this technique can be used for better protection of private content from automatic recognition models using adversarial examples. Our paper suggests that it is actually hard to draw a line between white box and black box models.

Children learn powerful internal models of the world around them from a few years of egocentric visual experience. Can such internal models be learned from a child's visual experience with highly generic learning algorithms or do they require strong inductive biases? Recent advances in collecting large-scale, longitudinal, developmentally realistic video datasets and generic self-supervised learning (SSL) algorithms are allowing us to begin to tackle this nature vs. nurture question. However, existing work typically focuses on image-based SSL algorithms and visual capabilities that can be learned from static images (e.g. object recognition), thus ignoring temporal aspects of the world. To close this gap, here we train self-supervised video models on longitudinal, egocentric headcam recordings collected from a child over a two year period in their early development (6-31 months). The resulting models are highly effective at facilitating the learning of action concepts from a small number of labeled examples; they have favorable data size scaling properties; and they display emergent video interpolation capabilities. Video models also learn more robust object representations than image-based models trained with the exact same data. These results suggest that important temporal aspects of a child's internal model of the world may be learnable from their visual experience using highly generic learning algorithms and without strong inductive biases.

Layer compositing is one of the most popular image editing workflows among both amateurs and professionals. Motivated by the success of diffusion models, we explore layer compositing from a layered image generation perspective. Instead of generating an image, we propose to generate background, foreground, layer mask, and the composed image simultaneously. To achieve layered image generation, we train an autoencoder that is able to reconstruct layered images and train diffusion models on the latent representation. One benefit of the proposed problem is to enable better compositing workflows in addition to the high-quality image output. Another benefit is producing higher-quality layer masks compared to masks produced by a separate step of image segmentation. Experimental results show that the proposed method is able to generate high-quality layered images and initiates a benchmark for future work.

Despite rapid adoption and deployment of large language models (LLMs), the internal computations of these models remain opaque and poorly understood. In this work, we seek to understand how high-level human-interpretable features are represented within the internal neuron activations of LLMs. We train k-sparse linear classifiers (probes) on these internal activations to predict the presence of features in the input; by varying the value of k we study the sparsity of learned representations and how this varies with model scale. With k=1, we localize individual neurons which are highly relevant for a particular feature, and perform a number of case studies to illustrate general properties of LLMs. In particular, we show that early layers make use of sparse combinations of neurons to represent many features in superposition, that middle layers have seemingly dedicated neurons to represent higher-level contextual features, and that increasing scale causes representational sparsity to increase on average, but there are multiple types of scaling dynamics. In all, we probe for over 100 unique features comprising 10 different categories in 7 different models spanning 70 million to 6.9 billion parameters.

The interpretation of deep learning models is a challenge due to their size, complexity, and often opaque internal state. In addition, many systems, such as image classifiers, operate on low-level features rather than high-level concepts. To address these challenges, we introduce Concept Activation Vectors (CAVs), which provide an interpretation of a neural net's internal state in terms of human-friendly concepts. The key idea is to view the high-dimensional internal state of a neural net as an aid, not an obstacle. We show how to use CAVs as part of a technique, Testing with CAVs (TCAV), that uses directional derivatives to quantify the degree to which a user-defined concept is important to a classification result--for example, how sensitive a prediction of "zebra" is to the presence of stripes. Using the domain of image classification as a testing ground, we describe how CAVs may be used to explore hypotheses and generate insights for a standard image classification network as well as a medical application.

We analyse perception and memory, using mathematical models for knowledge graphs and tensors, to gain insights into the corresponding functionalities of the human mind. Our discussion is based on the concept of propositional sentences consisting of subject-predicate-object (SPO) triples for expressing elementary facts. SPO sentences are the basis for most natural languages but might also be important for explicit perception and declarative memories, as well as intra-brain communication and the ability to argue and reason. A set of SPO sentences can be described as a knowledge graph, which can be transformed into an adjacency tensor. We introduce tensor models, where concepts have dual representations as indices and associated embeddings, two constructs we believe are essential for the understanding of implicit and explicit perception and memory in the brain. We argue that a biological realization of perception and memory imposes constraints on information processing. In particular, we propose that explicit perception and declarative memories require a semantic decoder, which, in a simple realization, is based on four layers: First, a sensory memory layer, as a buffer for sensory input, second, an index layer representing concepts, third, a memoryless representation layer for the broadcasting of information ---the "blackboard", or the "canvas" of the brain--- and fourth, a working memory layer as a processing center and data buffer. We discuss the operations of the four layers and relate them to the global workspace theory. In a Bayesian brain interpretation, semantic memory defines the prior for observable triple statements. We propose that ---in evolution and during development--- semantic memory, episodic memory, and natural language evolved as emergent properties in agents' process to gain a deeper understanding of sensory information.

We report the presence of a simple neural mechanism that represents an input-output function as a vector within autoregressive transformer language models (LMs). Using causal mediation analysis on a diverse range of in-context-learning (ICL) tasks, we find that a small number attention heads transport a compact representation of the demonstrated task, which we call a function vector (FV). FVs are robust to changes in context, i.e., they trigger execution of the task on inputs such as zero-shot and natural text settings that do not resemble the ICL contexts from which they are collected. We test FVs across a range of tasks, models, and layers and find strong causal effects across settings in middle layers. We investigate the internal structure of FVs and find while that they often contain information that encodes the output space of the function, this information alone is not sufficient to reconstruct an FV. Finally, we test semantic vector composition in FVs, and find that to some extent they can be summed to create vectors that trigger new complex tasks. Taken together, our findings suggest that LLMs contain internal abstractions of general-purpose functions that can be invoked in a variety of contexts.

Deep Learning (DL) in neuroimaging has become increasingly relevant for detecting neurological conditions and neurodegenerative disorders. One of the most predominant biomarkers in neuroimaging is represented by brain age, which has been shown to be a good indicator for different conditions, such as Alzheimer's Disease. Using brain age for weakly supervised pre-training of DL models in transfer learning settings has also recently shown promising results, especially when dealing with data scarcity of different conditions. On the other hand, anatomical information of brain MRIs (e.g. cortical thickness) can provide important information for learning good representations that can be transferred to many downstream tasks. In this work, we propose AnatCL, an anatomical foundation model for brain MRIs that i.) leverages anatomical information in a weakly contrastive learning approach, and ii.) achieves state-of-the-art performances across many different downstream tasks. To validate our approach we consider 12 different downstream tasks for the diagnosis of different conditions such as Alzheimer's Disease, autism spectrum disorder, and schizophrenia. Furthermore, we also target the prediction of 10 different clinical assessment scores using structural MRI data. Our findings show that incorporating anatomical information during pre-training leads to more robust and generalizable representations. Pre-trained models can be found at: https://github.com/EIDOSLAB/AnatCL.

Recently, how to achieve precise image editing has attracted increasing attention, especially given the remarkable success of text-to-image generation models. To unify various spatial-aware image editing abilities into one framework, we adopt the concept of layers from the design domain to manipulate objects flexibly with various operations. The key insight is to transform the spatial-aware image editing task into a combination of two sub-tasks: multi-layered latent decomposition and multi-layered latent fusion. First, we segment the latent representations of the source images into multiple layers, which include several object layers and one incomplete background layer that necessitates reliable inpainting. To avoid extra tuning, we further explore the inner inpainting ability within the self-attention mechanism. We introduce a key-masking self-attention scheme that can propagate the surrounding context information into the masked region while mitigating its impact on the regions outside the mask. Second, we propose an instruction-guided latent fusion that pastes the multi-layered latent representations onto a canvas latent. We also introduce an artifact suppression scheme in the latent space to enhance the inpainting quality. Due to the inherent modular advantages of such multi-layered representations, we can achieve accurate image editing, and we demonstrate that our approach consistently surpasses the latest spatial editing methods, including Self-Guidance and DiffEditor. Last, we show that our approach is a unified framework that supports various accurate image editing tasks on more than six different editing tasks.

Not all learnable parameters (e.g., weights) contribute equally to a neural network's decision function. In fact, entire layers' parameters can sometimes be reset to random values with little to no impact on the model's decisions. We revisit earlier studies that examined how architecture and task complexity influence this phenomenon and ask: is this phenomenon also affected by how we train the model? We conducted experimental evaluations on a diverse set of ImageNet-1k classification models to explore this, keeping the architecture and training data constant but varying the training pipeline. Our findings reveal that the training method strongly influences which layers become critical to the decision function for a given task. For example, improved training regimes and self-supervised training increase the importance of early layers while significantly under-utilizing deeper layers. In contrast, methods such as adversarial training display an opposite trend. Our preliminary results extend previous findings, offering a more nuanced understanding of the inner mechanics of neural networks. Code: https://github.com/paulgavrikov/layer_criticality

We reformulate the problem of supervised learning as learning to learn with two nested loops (i.e. learning problems). The inner loop learns on each individual instance with self-supervision before final prediction. The outer loop learns the self-supervised task used by the inner loop, such that its final prediction improves. Our inner loop turns out to be equivalent to linear attention when the inner-loop learner is only a linear model, and to self-attention when it is a kernel estimator. For practical comparison with linear or self-attention layers, we replace each of them in a transformer with an inner loop, so our outer loop is equivalent to training the architecture. When each inner-loop learner is a neural network, our approach vastly outperforms transformers with linear attention on ImageNet from 224 x 224 raw pixels in both accuracy and FLOPs, while (regular) transformers cannot run.

This article explores the adaptive relationship between Encoder Layers and Decoder Layers using the SOTA model Helsinki-NLP/opus-mt-de-en, which translates German to English. The specific method involves introducing a bias-free fully connected layer between the Encoder and Decoder, with different initializations of the layer's weights, and observing the outcomes of fine-tuning versus retraining. Four experiments were conducted in total. The results suggest that directly modifying the pre-trained model structure for fine-tuning yields suboptimal performance. However, upon observing the outcomes of the experiments with retraining, this structural adjustment shows significant potential.

Despite superior reasoning prowess demonstrated by Large Language Models (LLMs) with Chain-of-Thought (CoT) prompting, a lack of understanding prevails around the internal mechanisms of the models that facilitate CoT generation. This work investigates the neural sub-structures within LLMs that manifest CoT reasoning from a mechanistic point of view. From an analysis of LLaMA-2 7B applied to multistep reasoning over fictional ontologies, we demonstrate that LLMs deploy multiple parallel pathways of answer generation for step-by-step reasoning. These parallel pathways provide sequential answers from the input question context as well as the generated CoT. We observe a striking functional rift in the middle layers of the LLM. Token representations in the initial half remain strongly biased towards the pretraining prior, with the in-context taking over abruptly in the later half. This internal phase shift manifests in different functional components: attention heads that write the answer token predominantly appear in the later half, attention heads that move information along ontological relationships appear exclusively in the initial half, and so on. To the best of our knowledge, this is the first attempt towards mechanistic investigation of CoT reasoning in LLMs.

Layers have become indispensable tools for professional artists, allowing them to build a hierarchical structure that enables independent control over individual visual elements. In this paper, we propose LayeringDiff, a novel pipeline for the synthesis of layered images, which begins by generating a composite image using an off-the-shelf image generative model, followed by disassembling the image into its constituent foreground and background layers. By extracting layers from a composite image, rather than generating them from scratch, LayeringDiff bypasses the need for large-scale training to develop generative capabilities for individual layers. Furthermore, by utilizing a pretrained off-the-shelf generative model, our method can produce diverse contents and object scales in synthesized layers. For effective layer decomposition, we adapt a large-scale pretrained generative prior to estimate foreground and background layers. We also propose high-frequency alignment modules to refine the fine-details of the estimated layers. Our comprehensive experiments demonstrate that our approach effectively synthesizes layered images and supports various practical applications.

Although it is known that transformer language models (LMs) pass features from early layers to later layers, it is not well understood how this information is represented and routed by the model. By analyzing particular mechanism LMs use to accomplish this, we find that it is also used to recall items from a list, and show that this mechanism can explain an otherwise arbitrary-seeming sensitivity of the model to the order of items in the prompt. Specifically, we find that models write into low-rank subspaces of the residual stream to represent features which are then read out by specific later layers, forming low-rank communication channels between layers. By decomposing attention head weight matrices with the Singular Value Decomposition (SVD), we find that previously described interactions between heads separated by one or more layers can be predicted via analysis of their weight matrices. We show that it is possible to manipulate the internal model representations as well as edit model weights based on the mechanism we discover in order to significantly improve performance on our synthetic Laundry List task, which requires recall from a list, often improving task accuracy by over 20%. Our analysis reveals a surprisingly intricate interpretable structure learned from language model pretraining, and helps us understand why sophisticated LMs sometimes fail in simple domains, facilitating future analysis of more complex behaviors.

Deep neural networks (DNNs) have demonstrated state-of-the-art results on many pattern recognition tasks, especially vision classification problems. Understanding the inner workings of such computational brains is both fascinating basic science that is interesting in its own right - similar to why we study the human brain - and will enable researchers to further improve DNNs. One path to understanding how a neural network functions internally is to study what each of its neurons has learned to detect. One such method is called activation maximization (AM), which synthesizes an input (e.g. an image) that highly activates a neuron. Here we dramatically improve the qualitative state of the art of activation maximization by harnessing a powerful, learned prior: a deep generator network (DGN). The algorithm (1) generates qualitatively state-of-the-art synthetic images that look almost real, (2) reveals the features learned by each neuron in an interpretable way, (3) generalizes well to new datasets and somewhat well to different network architectures without requiring the prior to be relearned, and (4) can be considered as a high-quality generative method (in this case, by generating novel, creative, interesting, recognizable images).

Despite their great success, there is still no comprehensive theoretical understanding of learning with Deep Neural Networks (DNNs) or their inner organization. Previous work proposed to analyze DNNs in the Information Plane; i.e., the plane of the Mutual Information values that each layer preserves on the input and output variables. They suggested that the goal of the network is to optimize the Information Bottleneck (IB) tradeoff between compression and prediction, successively, for each layer. In this work we follow up on this idea and demonstrate the effectiveness of the Information-Plane visualization of DNNs. Our main results are: (i) most of the training epochs in standard DL are spent on {\emph compression} of the input to efficient representation and not on fitting the training labels. (ii) The representation compression phase begins when the training errors becomes small and the Stochastic Gradient Decent (SGD) epochs change from a fast drift to smaller training error into a stochastic relaxation, or random diffusion, constrained by the training error value. (iii) The converged layers lie on or very close to the Information Bottleneck (IB) theoretical bound, and the maps from the input to any hidden layer and from this hidden layer to the output satisfy the IB self-consistent equations. This generalization through noise mechanism is unique to Deep Neural Networks and absent in one layer networks. (iv) The training time is dramatically reduced when adding more hidden layers. Thus the main advantage of the hidden layers is computational. This can be explained by the reduced relaxation time, as this it scales super-linearly (exponentially for simple diffusion) with the information compression from the previous layer.

Layer-wise distillation is a powerful tool to compress large models (i.e. teacher models) into small ones (i.e., student models). The student distills knowledge from the teacher by mimicking the hidden representations of the teacher at every intermediate layer. However, layer-wise distillation is difficult. Since the student has a smaller model capacity than the teacher, it is often under-fitted. Furthermore, the hidden representations of the teacher contain redundant information that the student does not necessarily need for the target task's learning. To address these challenges, we propose a novel Task-aware layEr-wise Distillation (TED). TED designs task-aware filters to align the hidden representations of the student and the teacher at each layer. The filters select the knowledge that is useful for the target task from the hidden representations. As such, TED reduces the knowledge gap between the two models and helps the student to fit better on the target task. We evaluate TED in two scenarios: continual pre-training and fine-tuning. TED demonstrates significant and consistent improvements over existing distillation methods in both scenarios. Code is available at https://github.com/cliang1453/task-aware-distillation.

Deep encoder-decoder based CNNs have advanced image inpainting methods for hole filling. While existing methods recover structures and textures step-by-step in the hole regions, they typically use two encoder-decoders for separate recovery. The CNN features of each encoder are learned to capture either missing structures or textures without considering them as a whole. The insufficient utilization of these encoder features limit the performance of recovering both structures and textures. In this paper, we propose a mutual encoder-decoder CNN for joint recovery of both. We use CNN features from the deep and shallow layers of the encoder to represent structures and textures of an input image, respectively. The deep layer features are sent to a structure branch and the shallow layer features are sent to a texture branch. In each branch, we fill holes in multiple scales of the CNN features. The filled CNN features from both branches are concatenated and then equalized. During feature equalization, we reweigh channel attentions first and propose a bilateral propagation activation function to enable spatial equalization. To this end, the filled CNN features of structure and texture mutually benefit each other to represent image content at all feature levels. We use the equalized feature to supplement decoder features for output image generation through skip connections. Experiments on the benchmark datasets show the proposed method is effective to recover structures and textures and performs favorably against state-of-the-art approaches.

Internal features from large-scale pre-trained diffusion models have recently been established as powerful semantic descriptors for a wide range of downstream tasks. Works that use these features generally need to add noise to images before passing them through the model to obtain the semantic features, as the models do not offer the most useful features when given images with little to no noise. We show that this noise has a critical impact on the usefulness of these features that cannot be remedied by ensembling with different random noises. We address this issue by introducing a lightweight, unsupervised fine-tuning method that enables diffusion backbones to provide high-quality, noise-free semantic features. We show that these features readily outperform previous diffusion features by a wide margin in a wide variety of extraction setups and downstream tasks, offering better performance than even ensemble-based methods at a fraction of the cost.

Monocular depth estimation is fundamental for 3D scene understanding and downstream applications. However, even under the supervised setup, it is still challenging and ill-posed due to the lack of full geometric constraints. Although a scene can consist of millions of pixels, there are fewer high-level patterns. We propose iDisc to learn those patterns with internal discretized representations. The method implicitly partitions the scene into a set of high-level patterns. In particular, our new module, Internal Discretization (ID), implements a continuous-discrete-continuous bottleneck to learn those concepts without supervision. In contrast to state-of-the-art methods, the proposed model does not enforce any explicit constraints or priors on the depth output. The whole network with the ID module can be trained end-to-end, thanks to the bottleneck module based on attention. Our method sets the new state of the art with significant improvements on NYU-Depth v2 and KITTI, outperforming all published methods on the official KITTI benchmark. iDisc can also achieve state-of-the-art results on surface normal estimation. Further, we explore the model generalization capability via zero-shot testing. We observe the compelling need to promote diversification in the outdoor scenario. Hence, we introduce splits of two autonomous driving datasets, DDAD and Argoverse. Code is available at http://vis.xyz/pub/idisc .

Neural Module Networks, originally proposed for the task of visual question answering, are a class of neural network architectures that involve human-specified neural modules, each designed for a specific form of reasoning. In current formulations of such networks only the parameters of the neural modules and/or the order of their execution is learned. In this work, we further expand this approach and also learn the underlying internal structure of modules in terms of the ordering and combination of simple and elementary arithmetic operators. Our results show that one is indeed able to simultaneously learn both internal module structure and module sequencing without extra supervisory signals for module execution sequencing. With this approach, we report performance comparable to models using hand-designed modules.

We present LayerDiffusion, an approach enabling large-scale pretrained latent diffusion models to generate transparent images. The method allows generation of single transparent images or of multiple transparent layers. The method learns a "latent transparency" that encodes alpha channel transparency into the latent manifold of a pretrained latent diffusion model. It preserves the production-ready quality of the large diffusion model by regulating the added transparency as a latent offset with minimal changes to the original latent distribution of the pretrained model. In this way, any latent diffusion model can be converted into a transparent image generator by finetuning it with the adjusted latent space. We train the model with 1M transparent image layer pairs collected using a human-in-the-loop collection scheme. We show that latent transparency can be applied to different open source image generators, or be adapted to various conditional control systems to achieve applications like foreground/background-conditioned layer generation, joint layer generation, structural control of layer contents, etc. A user study finds that in most cases (97%) users prefer our natively generated transparent content over previous ad-hoc solutions such as generating and then matting. Users also report the quality of our generated transparent images is comparable to real commercial transparent assets like Adobe Stock.

Latent diffusion models (LDMs) exhibit an impressive ability to produce realistic images, yet the inner workings of these models remain mysterious. Even when trained purely on images without explicit depth information, they typically output coherent pictures of 3D scenes. In this work, we investigate a basic interpretability question: does an LDM create and use an internal representation of simple scene geometry? Using linear probes, we find evidence that the internal activations of the LDM encode linear representations of both 3D depth data and a salient-object / background distinction. These representations appear surprisingly early in the denoising process-well before a human can easily make sense of the noisy images. Intervention experiments further indicate these representations play a causal role in image synthesis, and may be used for simple high-level editing of an LDM's output. Project page: https://yc015.github.io/scene-representation-diffusion-model/