Daily Papers

The Beta Pictoris system is characterized by a dusty debris disk, in addition to the presence of two already known planets. This makes it a particularly interesting case for studying the formation and evolution of planetary systems at a stage where giant planets have already formed, most of the protoplanetary gas has dissipated, and terrestrial planets could emerge. Our goal here is to explore the possibility of additional planets orbiting beyond the outermost known one, beta Pic b. More specifically, we aim to assess whether additional planets in the system could explain the discrepancy between the predicted cutoff of the disk inner cavity at sim28 au with only two planets, and the observed one at sim50 au. We perform an exhaustive dynamical modeling of the debris disk and the carving of its inner edge, by introducing one or two additional planets beyond beta Pic b, coplanar with the disk. Guided by theoretical predictions for the parameter space - mass, semi-major axis, eccentricity - allowed for additional planets, we further carry out a set of N-body simulations, using the symplectic integrator RMVS3. Our simulations indicate that an additional planet with a low eccentricity of 0.05, a mass between 0.15 and 1 M_{Jup}, and a semi-major axis between 30 and 36 au, would be consistent with the observations of an inner debris disk edge at 50 au. We have also explored the hypotheses of a higher eccentricity and the presence of two additional lower mass planets instead of one, which could also account for these observations. While we have found that one or even two additional planets could explain the observed location of the disk inner edge, these hypothetical planets remain in most cases below the current observational limits of high contrast imaging. Future observational campaigns with improved sensitivity will help lowering these limits and perhaps detect that planet.

Sim-to-real transfer remains a significant challenge in robotics due to the discrepancies between simulated and real-world dynamics. Traditional methods like Domain Randomization often fail to capture fine-grained dynamics, limiting their effectiveness for precise control tasks. In this work, we propose a novel approach that dynamically adjusts simulation environment parameters online using in-context learning. By leveraging past interaction histories as context, our method adapts the simulation environment dynamics to real-world dynamics without requiring gradient updates, resulting in faster and more accurate alignment between simulated and real-world performance. We validate our approach across two tasks: object scooping and table air hockey. In the sim-to-sim evaluations, our method significantly outperforms the baselines on environment parameter estimation by 80% and 42% in the object scooping and table air hockey setups, respectively. Furthermore, our method achieves at least 70% success rate in sim-to-real transfer on object scooping across three different objects. By incorporating historical interaction data, our approach delivers efficient and smooth system identification, advancing the deployment of robots in dynamic real-world scenarios. Demos are available on our project page: https://sim2real-capture.github.io/

Comprehensive and constructive evaluation protocols play an important role in the development of sophisticated text-to-video (T2V) generation models. Existing evaluation protocols primarily focus on temporal consistency and content continuity, yet largely ignore the dynamics of video content. Dynamics are an essential dimension for measuring the visual vividness and the honesty of video content to text prompts. In this study, we propose an effective evaluation protocol, termed DEVIL, which centers on the dynamics dimension to evaluate T2V models. For this purpose, we establish a new benchmark comprising text prompts that fully reflect multiple dynamics grades, and define a set of dynamics scores corresponding to various temporal granularities to comprehensively evaluate the dynamics of each generated video. Based on the new benchmark and the dynamics scores, we assess T2V models with the design of three metrics: dynamics range, dynamics controllability, and dynamics-based quality. Experiments show that DEVIL achieves a Pearson correlation exceeding 90% with human ratings, demonstrating its potential to advance T2V generation models. Code is available at https://github.com/MingXiangL/DEVIL.

Instruction tuning is a burgeoning method to elicit the general intelligence of Large Language Models (LLMs). However, the creation of instruction data is still largely heuristic, leading to significant variation in quality and distribution across existing datasets. Experimental conclusions drawn from these datasets are also inconsistent, with some studies emphasizing the importance of scaling instruction numbers, while others argue that a limited number of samples suffice. To better understand data construction guidelines, we deepen our focus from the overall model performance to the growth of each underlying ability, such as creative writing, code generation, and logical reasoning. We systematically investigate the effects of data volume, parameter size, and data construction methods on the development of various abilities, using hundreds of model checkpoints (7b to 33b) fully instruction-tuned on a new collection of over 40k human-curated instruction data. This proposed dataset is stringently quality-controlled and categorized into ten distinct LLM abilities. Our study reveals three primary findings: (i) Despite data volume and parameter scale directly impacting models' overall performance, some abilities are more responsive to their increases and can be effectively trained using limited data, while some are highly resistant to these changes. (ii) Human-curated data strongly outperforms synthetic data from GPT-4 in efficiency and can constantly enhance model performance with volume increases, but is unachievable with synthetic data. (iii) Instruction data brings powerful cross-ability generalization, with evaluation results on out-of-domain data mirroring the first two observations. Furthermore, we demonstrate how these findings can guide more efficient data constructions, leading to practical performance improvements on public benchmarks.

Learning a precise dynamics model can be crucial for offline reinforcement learning, which, unfortunately, has been found to be quite challenging. Dynamics models that are learned by fitting historical transitions often struggle to generalize to unseen transitions. In this study, we identify a hidden but pivotal factor termed dynamics reward that remains consistent across transitions, offering a pathway to better generalization. Therefore, we propose the idea of reward-consistent dynamics models: any trajectory generated by the dynamics model should maximize the dynamics reward derived from the data. We implement this idea as the MOREC (Model-based Offline reinforcement learning with Reward Consistency) method, which can be seamlessly integrated into previous offline model-based reinforcement learning (MBRL) methods. MOREC learns a generalizable dynamics reward function from offline data, which is subsequently employed as a transition filter in any offline MBRL method: when generating transitions, the dynamics model generates a batch of transitions and selects the one with the highest dynamics reward value. On a synthetic task, we visualize that MOREC has a strong generalization ability and can surprisingly recover some distant unseen transitions. On 21 offline tasks in D4RL and NeoRL benchmarks, MOREC improves the previous state-of-the-art performance by a significant margin, i.e., 4.6% on D4RL tasks and 25.9% on NeoRL tasks. Notably, MOREC is the first method that can achieve above 95% online RL performance in 6 out of 12 D4RL tasks and 3 out of 9 NeoRL tasks.

Dynamics prediction, which is the problem of predicting future states of scene objects based on current and prior states, is drawing increasing attention as an instance of learning physics. To solve this problem, Region Proposal Convolutional Interaction Network (RPCIN), a vision-based model, was proposed and achieved state-of-the-art performance in long-term prediction. RPCIN only takes raw images and simple object descriptions, such as the bounding box and segmentation mask of each object, as input. However, despite its success, the model's capability can be compromised under conditions of environment misalignment. In this paper, we investigate two challenging conditions for environment misalignment: Cross-Domain and Cross-Context by proposing four datasets that are designed for these challenges: SimB-Border, SimB-Split, BlenB-Border, and BlenB-Split. The datasets cover two domains and two contexts. Using RPCIN as a probe, experiments conducted on the combinations of the proposed datasets reveal potential weaknesses of the vision-based long-term dynamics prediction model. Furthermore, we propose a promising direction to mitigate the Cross-Domain challenge and provide concrete evidence supporting such a direction, which provides dramatic alleviation of the challenge on the proposed datasets.

The debate around misinformation and its potentially detrimental effects on public opinion is complex and multifaceted, to the extent that even the relevant academic research has not found unanimity on the prevalence and consumption of misinformation compared with mainstream content. The methodological framework presented here emphasises the importance of considering data representative of the complexity of the phenomenon and metrics that control for possible scale effects. By combining statistical, econometric and machine learning models, we shed light on the real impact of misinformation about a subject of general interest and social relevance, such as vaccines, on both the information available to citizens and their news diet. Our results show the prominent role achieved by misinformation sources in the news ecosystem, but also - and above all - the inability of mainstream media to drive the public debate over time on issues that are particularly sensitive and emotional. Taking properly account for the temporal dynamics of public debate seems crucial to prevent the latter from moving into uncontrolled spaces where false narratives are more easily conveyed and entrenched.

In this paper, we consider how the development of targeted ransomware has affected the dynamics of ransomware negotiations to better understand how to respond to ransomware attacks. We construct a model of ransomware negotiations as an asymmetric non-cooperative two-player game. In particular, our model considers the investments that a malicious actor must make in order to conduct a successful targeted ransomware attack. We demonstrate how imperfect information is a crucial feature for replicating observed real-world behaviour. Furthermore, we present optimal strategies for both the malicious actor and the target, and demonstrate how imperfect information results in a non-trivial optimal strategy for the malicious actor.

The increasing demand for immersive AR/VR applications and spatial intelligence has heightened the need to generate high-quality scene-level and 360{\deg} panoramic video. However, most video diffusion models are constrained by limited resolution and aspect ratio, which restricts their applicability to scene-level dynamic content synthesis. In this work, we propose the DynamicScaler, addressing these challenges by enabling spatially scalable and panoramic dynamic scene synthesis that preserves coherence across panoramic scenes of arbitrary size. Specifically, we introduce a Offset Shifting Denoiser, facilitating efficient, synchronous, and coherent denoising panoramic dynamic scenes via a diffusion model with fixed resolution through a seamless rotating Window, which ensures seamless boundary transitions and consistency across the entire panoramic space, accommodating varying resolutions and aspect ratios. Additionally, we employ a Global Motion Guidance mechanism to ensure both local detail fidelity and global motion continuity. Extensive experiments demonstrate our method achieves superior content and motion quality in panoramic scene-level video generation, offering a training-free, efficient, and scalable solution for immersive dynamic scene creation with constant VRAM consumption regardless of the output video resolution. Our project page is available at https://dynamic-scaler.pages.dev/.

We consider the problem of reconstructing a dynamic scene observed from a stereo camera. Most existing methods for depth from stereo treat different stereo frames independently, leading to temporally inconsistent depth predictions. Temporal consistency is especially important for immersive AR or VR scenarios, where flickering greatly diminishes the user experience. We propose DynamicStereo, a novel transformer-based architecture to estimate disparity for stereo videos. The network learns to pool information from neighboring frames to improve the temporal consistency of its predictions. Our architecture is designed to process stereo videos efficiently through divided attention layers. We also introduce Dynamic Replica, a new benchmark dataset containing synthetic videos of people and animals in scanned environments, which provides complementary training and evaluation data for dynamic stereo closer to real applications than existing datasets. Training with this dataset further improves the quality of predictions of our proposed DynamicStereo as well as prior methods. Finally, it acts as a benchmark for consistent stereo methods.

Videos of robots interacting with objects encode rich information about the objects' dynamics. However, existing video prediction approaches typically do not explicitly account for the 3D information from videos, such as robot actions and objects' 3D states, limiting their use in real-world robotic applications. In this work, we introduce a framework to learn object dynamics directly from multi-view RGB videos by explicitly considering the robot's action trajectories and their effects on scene dynamics. We utilize the 3D Gaussian representation of 3D Gaussian Splatting (3DGS) to train a particle-based dynamics model using Graph Neural Networks. This model operates on sparse control particles downsampled from the densely tracked 3D Gaussian reconstructions. By learning the neural dynamics model on offline robot interaction data, our method can predict object motions under varying initial configurations and unseen robot actions. The 3D transformations of Gaussians can be interpolated from the motions of control particles, enabling the rendering of predicted future object states and achieving action-conditioned video prediction. The dynamics model can also be applied to model-based planning frameworks for object manipulation tasks. We conduct experiments on various kinds of deformable materials, including ropes, clothes, and stuffed animals, demonstrating our framework's ability to model complex shapes and dynamics. Our project page is available at https://gs-dynamics.github.io.

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of molecular trajectories as a paradigm for learning flexible multi-task surrogate models of MD from data. By conditioning on appropriately chosen frames of the trajectory, we show such generative models can be adapted to diverse tasks such as forward simulation, transition path sampling, and trajectory upsampling. By alternatively conditioning on part of the molecular system and inpainting the rest, we also demonstrate the first steps towards dynamics-conditioned molecular design. We validate the full set of these capabilities on tetrapeptide simulations and show that our model can produce reasonable ensembles of protein monomers. Altogether, our work illustrates how generative modeling can unlock value from MD data towards diverse downstream tasks that are not straightforward to address with existing methods or even MD itself. Code is available at https://github.com/bjing2016/mdgen.

Text-to-video (T2V) synthesis has gained increasing attention in the community, in which the recently emerged diffusion models (DMs) have promisingly shown stronger performance than the past approaches. While existing state-of-the-art DMs are competent to achieve high-resolution video generation, they may largely suffer from key limitations (e.g., action occurrence disorders, crude video motions) with respect to the intricate temporal dynamics modeling, one of the crux of video synthesis. In this work, we investigate strengthening the awareness of video dynamics for DMs, for high-quality T2V generation. Inspired by human intuition, we design an innovative dynamic scene manager (dubbed as Dysen) module, which includes (step-1) extracting from input text the key actions with proper time-order arrangement, (step-2) transforming the action schedules into the dynamic scene graph (DSG) representations, and (step-3) enriching the scenes in the DSG with sufficient and reasonable details. Taking advantage of the existing powerful LLMs (e.g., ChatGPT) via in-context learning, Dysen realizes (nearly) human-level temporal dynamics understanding. Finally, the resulting video DSG with rich action scene details is encoded as fine-grained spatio-temporal features, integrated into the backbone T2V DM for video generating. Experiments on popular T2V datasets suggest that our framework consistently outperforms prior arts with significant margins, especially in the scenario with complex actions. Project page at https://haofei.vip/Dysen-VDM

The dynamics of biomolecules are crucial for our understanding of their functioning in living systems. However, current 3D imaging techniques, such as cryogenic electron microscopy (cryo-EM), require freezing the sample, which limits the observation of their conformational changes in real time. The innovative liquid-phase electron microscopy (liquid-phase EM) technique allows molecules to be placed in the native liquid environment, providing a unique opportunity to observe their dynamics. In this paper, we propose TEMPOR, a Temporal Electron MicroscoPy Object Reconstruction algorithm for liquid-phase EM that leverages an implicit neural representation (INR) and a dynamical variational auto-encoder (DVAE) to recover time series of molecular structures. We demonstrate its advantages in recovering different motion dynamics from two simulated datasets, 7bcq and Cas9. To our knowledge, our work is the first attempt to directly recover 3D structures of a temporally-varying particle from liquid-phase EM movies. It provides a promising new approach for studying molecules' 3D dynamics in structural biology.

As artificial intelligence models have exploded in scale and capability, understanding of their internal mechanisms remains a critical challenge. Inspired by the success of dynamical systems approaches in neuroscience, here we propose a novel framework for studying computations in deep learning systems. We focus on the residual stream (RS) in transformer models, conceptualizing it as a dynamical system evolving across layers. We find that activations of individual RS units exhibit strong continuity across layers, despite the RS being a non-privileged basis. Activations in the RS accelerate and grow denser over layers, while individual units trace unstable periodic orbits. In reduced-dimensional spaces, the RS follows a curved trajectory with attractor-like dynamics in the lower layers. These insights bridge dynamical systems theory and mechanistic interpretability, establishing a foundation for a "neuroscience of AI" that combines theoretical rigor with large-scale data analysis to advance our understanding of modern neural networks.

We investigated the temporal distribution of goals in soccer using event-level data from 3,433 matches across 21 leagues and competitions. Contrary to the prevailing notion of randomness, we found that the probability of a goal being scored is higher as matches progress, and we observed fewer-than-expected goals in the early minutes of each half. Further analysis of the time between subsequent goals shows an exponential decay, indicating that most goals naturally cluster closer together in time. By splitting this distribution by the team that scores the next goal, we observe bursty goal-scoring dynamics, wherein the same team is more likely to score again shortly after its previous goal. These findings highlight the importance of match context (whether driven by fatigue, tactical adaptations, or psychological momentum) in shaping when teams are able to score. Moreover, the results open avenues for extending data-driven methods for identifying high-impact moments in a match and refining strategic decision-making in soccer's evolving analytical landscape.

We propose a novel framework for scene decomposition and static background reconstruction from everyday videos. By integrating the trained motion masks and modeling the static scene as Gaussian splats with dynamics-aware optimization, our method achieves more accurate background reconstruction results than previous works. Our proposed method is termed DAS3R, an abbreviation for Dynamics-Aware Gaussian Splatting for Static Scene Reconstruction. Compared to existing methods, DAS3R is more robust in complex motion scenarios, capable of handling videos where dynamic objects occupy a significant portion of the scene, and does not require camera pose inputs or point cloud data from SLAM-based methods. We compared DAS3R against recent distractor-free approaches on the DAVIS and Sintel datasets; DAS3R demonstrates enhanced performance and robustness with a margin of more than 2 dB in PSNR. The project's webpage can be accessed via https://kai422.github.io/DAS3R/

In an ongoing effort to understand planet formation the link between the chemistry of the protoplanetary disk and the properties of resulting planets have long been a subject of interest. These connections have generally been made between mature planets and young protoplanetary disks through the carbon-to-oxygen (C/O) ratio. In a rare number of systems, young protoplanets have been found within their natal protoplanetary disks. These systems offer a unique opportunity to directly study the delivery of gas from the protoplanetary disk to the planet. In this work we post-process 3D numerical simulations of an embedded Jupiter-massed planet in its protoplanetary disk to explore the chemical evolution of gas as it flows from the disk to the planet. The relevant dust to this chemical evolution is assumed to be small, co-moving grains with a reduced dust-to-gas ratio indicative of the upper atmosphere of a protoplanetary disk. We find that as the gas enters deep into the planet's gravitational well, it warms significantly (up to sim 800 K), releasing all of the volatile content from the ice phase. This change in phase can influence our understanding of the delivery of volatile species to the atmospheres of giant planets. The primary carbon, oxygen, and sulfur carrying ices: CO_2, H_2O, and H_2S are released into the gas phase and along with the warm gas temperatures near the embedded planets lead to the production of unique species like CS, SO, and SO_2 compared to the protoplanetary disk. We compute the column densities of SO, SO_2, CS, and H_2CS in our model and find that their values are consistent with previous observational studies.

Many studies explore how people 'come into' misinformation exposure. But much less is known about how people 'come out of' misinformation exposure. Do people organically sever ties to misinformation spreaders? And what predicts doing so? Over six months, we tracked the frequency and predictors of ~1M followers unfollowing ~5K health misinformation spreaders on Twitter. We found that misinformation ties are persistent. Monthly unfollowing rates are just 0.52%. Users are also 31% more likely to unfollow non-misinformation spreaders than they are to unfollow misinformation spreaders. Although generally infrequent, the factors most associated with unfollowing misinformation spreaders are (1) redundancy and (2) ideology. First, users initially following many spreaders, or who follow spreaders that tweet often, are most likely to unfollow later. Second, liberals are more likely to unfollow than conservatives. Overall, we observe strong persistence of misinformation ties. The fact that users rarely unfollow misinformation spreaders suggests a need for external nudges and the importance of preventing exposure from arising in the first place.

Cognitive dynamics are pivotal to advance human understanding of the world. Recent advancements in large language models (LLMs) reveal their potential for cognitive simulation. However, these LLM-based cognitive studies primarily focus on static modeling, overlooking the dynamic nature of cognition. To bridge this gap, we propose the concept of the cognitive dynamics of LLMs and present a corresponding task with the inspiration of longitudinal studies. Towards the task, we develop CogBench, a novel benchmark to assess the cognitive dynamics of LLMs and validate it through participant surveys. We also design two evaluation metrics for CogBench, including Authenticity and Rationality. Recognizing the inherent static nature of LLMs, we introduce CogGPT for the task, which features an innovative iterative cognitive mechanism aimed at enhancing lifelong cognitive dynamics. Empirical results demonstrate the superiority of CogGPT over existing methods, particularly in its ability to facilitate role-specific cognitive dynamics under continuous information flows.

The accurate modeling of dynamics in interactive environments is critical for successful long-range prediction. Such a capability could advance Reinforcement Learning (RL) and Planning algorithms, but achieving it is challenging. Inaccuracies in model estimates can compound, resulting in increased errors over long horizons. We approach this problem from the lens of Koopman theory, where the nonlinear dynamics of the environment can be linearized in a high-dimensional latent space. This allows us to efficiently parallelize the sequential problem of long-range prediction using convolution while accounting for the agent's action at every time step. Our approach also enables stability analysis and better control over gradients through time. Taken together, these advantages result in significant improvement over the existing approaches, both in the efficiency and the accuracy of modeling dynamics over extended horizons. We also show that this model can be easily incorporated into dynamics modeling for model-based planning and model-free RL and report promising experimental results.

In recent years, domains such as natural language processing and image recognition have popularized the paradigm of using large datasets to pretrain representations that can be effectively transferred to downstream tasks. In this work we evaluate how such a paradigm should be done in imitation learning, where both pretraining and finetuning data are trajectories collected by experts interacting with an unknown environment. Namely, we consider a setting where the pretraining corpus consists of multitask demonstrations and the task for each demonstration is set by an unobserved latent context variable. The goal is to use the pretraining corpus to learn a low dimensional representation of the high dimensional (e.g., visual) observation space which can be transferred to a novel context for finetuning on a limited dataset of demonstrations. Among a variety of possible pretraining objectives, we argue that inverse dynamics modeling -- i.e., predicting an action given the observations appearing before and after it in the demonstration -- is well-suited to this setting. We provide empirical evidence of this claim through evaluations on a variety of simulated visuomotor manipulation problems. While previous work has attempted various theoretical explanations regarding the benefit of inverse dynamics modeling, we find that these arguments are insufficient to explain the empirical advantages often observed in our settings, and so we derive a novel analysis using a simple but general environment model.

Molecular dynamics (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where equations of motion are integrated with timesteps on the order of femtoseconds (1fs=10^{-15}s). MD is often used to compute equilibrium properties, which requires sampling from an equilibrium distribution such as the Boltzmann distribution. However, many important processes, such as binding and folding, occur over timescales of milliseconds or beyond, and cannot be efficiently sampled with conventional MD. Furthermore, new MD simulations need to be performed for each molecular system studied. We present Timewarp, an enhanced sampling method which uses a normalising flow as a proposal distribution in a Markov chain Monte Carlo method targeting the Boltzmann distribution. The flow is trained offline on MD trajectories and learns to make large steps in time, simulating the molecular dynamics of 10^{5} - 10^{6}:fs. Crucially, Timewarp is transferable between molecular systems: once trained, we show that it generalises to unseen small peptides (2-4 amino acids) at all-atom resolution, exploring their metastable states and providing wall-clock acceleration of sampling compared to standard MD. Our method constitutes an important step towards general, transferable algorithms for accelerating MD.

Without relevant human priors, neural networks may learn uninterpretable features. We propose Dynamics of Attention for Focus Transition (DAFT) as a human prior for machine reasoning. DAFT is a novel method that regularizes attention-based reasoning by modelling it as a continuous dynamical system using neural ordinary differential equations. As a proof of concept, we augment a state-of-the-art visual reasoning model with DAFT. Our experiments reveal that applying DAFT yields similar performance to the original model while using fewer reasoning steps, showing that it implicitly learns to skip unnecessary steps. We also propose a new metric, Total Length of Transition (TLT), which represents the effective reasoning step size by quantifying how much a given model's focus drifts while reasoning about a question. We show that adding DAFT results in lower TLT, demonstrating that our method indeed obeys the human prior towards shorter reasoning paths in addition to producing more interpretable attention maps. Our code is available at https://github.com/kakao/DAFT.

We present an approach to modeling an image-space prior on scene dynamics. Our prior is learned from a collection of motion trajectories extracted from real video sequences containing natural, oscillating motion such as trees, flowers, candles, and clothes blowing in the wind. Given a single image, our trained model uses a frequency-coordinated diffusion sampling process to predict a per-pixel long-term motion representation in the Fourier domain, which we call a neural stochastic motion texture. This representation can be converted into dense motion trajectories that span an entire video. Along with an image-based rendering module, these trajectories can be used for a number of downstream applications, such as turning still images into seamlessly looping dynamic videos, or allowing users to realistically interact with objects in real pictures.

We introduce UniReal, a unified framework designed to address various image generation and editing tasks. Existing solutions often vary by tasks, yet share fundamental principles: preserving consistency between inputs and outputs while capturing visual variations. Inspired by recent video generation models that effectively balance consistency and variation across frames, we propose a unifying approach that treats image-level tasks as discontinuous video generation. Specifically, we treat varying numbers of input and output images as frames, enabling seamless support for tasks such as image generation, editing, customization, composition, etc. Although designed for image-level tasks, we leverage videos as a scalable source for universal supervision. UniReal learns world dynamics from large-scale videos, demonstrating advanced capability in handling shadows, reflections, pose variation, and object interaction, while also exhibiting emergent capability for novel applications.

Creating 4D fields of Gaussian Splatting from images or videos is a challenging task due to its under-constrained nature. While the optimization can draw photometric reference from the input videos or be regulated by generative models, directly supervising Gaussian motions remains underexplored. In this paper, we introduce a novel concept, Gaussian flow, which connects the dynamics of 3D Gaussians and pixel velocities between consecutive frames. The Gaussian flow can be efficiently obtained by splatting Gaussian dynamics into the image space. This differentiable process enables direct dynamic supervision from optical flow. Our method significantly benefits 4D dynamic content generation and 4D novel view synthesis with Gaussian Splatting, especially for contents with rich motions that are hard to be handled by existing methods. The common color drifting issue that happens in 4D generation is also resolved with improved Guassian dynamics. Superior visual quality on extensive experiments demonstrates our method's effectiveness. Quantitative and qualitative evaluations show that our method achieves state-of-the-art results on both tasks of 4D generation and 4D novel view synthesis. Project page: https://zerg-overmind.github.io/GaussianFlow.github.io/

Imitation learning has proven to be a powerful tool for training complex visuomotor policies. However, current methods often require hundreds to thousands of expert demonstrations to handle high-dimensional visual observations. A key reason for this poor data efficiency is that visual representations are predominantly either pretrained on out-of-domain data or trained directly through a behavior cloning objective. In this work, we present DynaMo, a new in-domain, self-supervised method for learning visual representations. Given a set of expert demonstrations, we jointly learn a latent inverse dynamics model and a forward dynamics model over a sequence of image embeddings, predicting the next frame in latent space, without augmentations, contrastive sampling, or access to ground truth actions. Importantly, DynaMo does not require any out-of-domain data such as Internet datasets or cross-embodied datasets. On a suite of six simulated and real environments, we show that representations learned with DynaMo significantly improve downstream imitation learning performance over prior self-supervised learning objectives, and pretrained representations. Gains from using DynaMo hold across policy classes such as Behavior Transformer, Diffusion Policy, MLP, and nearest neighbors. Finally, we ablate over key components of DynaMo and measure its impact on downstream policy performance. Robot videos are best viewed at https://dynamo-ssl.github.io

Proteins are dynamic molecular machines whose biological functions, spanning enzymatic catalysis, signal transduction, and structural adaptation, are intrinsically linked to their motions. Designing proteins with targeted dynamic properties, however, remains a challenge due to the complex, degenerate relationships between sequence, structure, and molecular motion. Here, we introduce VibeGen, a generative AI framework that enables end-to-end de novo protein design conditioned on normal mode vibrations. VibeGen employs an agentic dual-model architecture, comprising a protein designer that generates sequence candidates based on specified vibrational modes and a protein predictor that evaluates their dynamic accuracy. This approach synergizes diversity, accuracy, and novelty during the design process. Via full-atom molecular simulations as direct validation, we demonstrate that the designed proteins accurately reproduce the prescribed normal mode amplitudes across the backbone while adopting various stable, functionally relevant structures. Notably, generated sequences are de novo, exhibiting no significant similarity to natural proteins, thereby expanding the accessible protein space beyond evolutionary constraints. Our work integrates protein dynamics into generative protein design, and establishes a direct, bidirectional link between sequence and vibrational behavior, unlocking new pathways for engineering biomolecules with tailored dynamical and functional properties. This framework holds broad implications for the rational design of flexible enzymes, dynamic scaffolds, and biomaterials, paving the way toward dynamics-informed AI-driven protein engineering.

While the Transformer architecture has achieved remarkable success across various domains, a thorough theoretical foundation explaining its optimization dynamics is yet to be fully developed. In this study, we aim to bridge this understanding gap by answering the following two core questions: (1) Which types of Transformer architectures allow Gradient Descent (GD) to achieve guaranteed convergence? and (2) Under what initial conditions and architectural specifics does the Transformer achieve rapid convergence during training? By analyzing the loss landscape of a single Transformer layer using Softmax and Gaussian attention kernels, our work provides concrete answers to these questions. Our findings demonstrate that, with appropriate weight initialization, GD can train a Transformer model (with either kernel type) to achieve a global optimal solution, especially when the input embedding dimension is large. Nonetheless, certain scenarios highlight potential pitfalls: training a Transformer using the Softmax attention kernel may sometimes lead to suboptimal local solutions. In contrast, the Gaussian attention kernel exhibits a much favorable behavior. Our empirical study further validate the theoretical findings.

Peer review is fundamental to the integrity and advancement of scientific publication. Traditional methods of peer review analyses often rely on exploration and statistics of existing peer review data, which do not adequately address the multivariate nature of the process, account for the latent variables, and are further constrained by privacy concerns due to the sensitive nature of the data. We introduce AgentReview, the first large language model (LLM) based peer review simulation framework, which effectively disentangles the impacts of multiple latent factors and addresses the privacy issue. Our study reveals significant insights, including a notable 37.1% variation in paper decisions due to reviewers' biases, supported by sociological theories such as the social influence theory, altruism fatigue, and authority bias. We believe that this study could offer valuable insights to improve the design of peer review mechanisms.

We present VideoOrion, a Video Large Language Model (Video-LLM) that explicitly captures the key semantic information in videos--the spatial-temporal dynamics of objects throughout the videos. VideoOrion employs expert vision models to extract object dynamics through a detect-segment-track pipeline, encoding them into a set of object tokens by aggregating spatial-temporal object features. Our method addresses the persistent challenge in Video-LLMs of efficiently compressing high-dimensional video data into semantic tokens that are comprehensible to LLMs. Compared to prior methods which resort to downsampling the original video or aggregating visual tokens using resamplers, leading to information loss and entangled semantics, VideoOrion not only offers a more natural and efficient way to derive compact, disentangled semantic representations but also enables explicit object modeling of video content with minimal computational cost. Moreover, the introduced object tokens naturally allow VideoOrion to accomplish video-based referring tasks. Experimental results show that VideoOrion can learn to make good use of the object tokens, and achieves competitive results on both general video question answering and video-based referring benchmarks.

Selective state space models (SSM), such as Mamba, have gained prominence for their effectiveness in modeling sequential data. Despite their outstanding empirical performance, a comprehensive theoretical understanding of deep selective SSM remains elusive, hindering their further development and adoption for applications that need high fidelity. In this paper, we investigate the dynamical properties of tokens in a pre-trained Mamba model. In particular, we derive the dynamical system governing the continuous-time limit of the Mamba model and characterize the asymptotic behavior of its solutions. In the one-dimensional case, we prove that only one of the following two scenarios happens: either all tokens converge to zero, or all tokens diverge to infinity. We provide criteria based on model parameters to determine when each scenario occurs. For the convergent scenario, we empirically verify that this scenario negatively impacts the model's performance. For the divergent scenario, we prove that different tokens will diverge to infinity at different rates, thereby contributing unequally to the updates during model training. Based on these investigations, we propose two refinements for the model: excluding the convergent scenario and reordering tokens based on their importance scores, both aimed at improving practical performance. Our experimental results validate these refinements, offering insights into enhancing Mamba's effectiveness in real-world applications.

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.

Diffusion models have significantly improved the performance of image editing. Existing methods realize various approaches to achieve high-quality image editing, including but not limited to text control, dragging operation, and mask-and-inpainting. Among these, instruction-based editing stands out for its convenience and effectiveness in following human instructions across diverse scenarios. However, it still focuses on simple editing operations like adding, replacing, or deleting, and falls short of understanding aspects of world dynamics that convey the realistic dynamic nature in the physical world. Therefore, this work, EditWorld, introduces a new editing task, namely world-instructed image editing, which defines and categorizes the instructions grounded by various world scenarios. We curate a new image editing dataset with world instructions using a set of large pretrained models (e.g., GPT-3.5, Video-LLava and SDXL). To enable sufficient simulation of world dynamics for image editing, our EditWorld trains model in the curated dataset, and improves instruction-following ability with designed post-edit strategy. Extensive experiments demonstrate our method significantly outperforms existing editing methods in this new task. Our dataset and code will be available at https://github.com/YangLing0818/EditWorld

As consumer Virtual Reality (VR) and Mixed Reality (MR) technologies gain momentum, there's a growing focus on the development of engagements with 3D virtual content. Unfortunately, traditional techniques for content creation, editing, and interaction within these virtual spaces are fraught with difficulties. They tend to be not only engineering-intensive but also require extensive expertise, which adds to the frustration and inefficiency in virtual object manipulation. Our proposed VR-GS system represents a leap forward in human-centered 3D content interaction, offering a seamless and intuitive user experience. By developing a physical dynamics-aware interactive Gaussian Splatting in a Virtual Reality setting, and constructing a highly efficient two-level embedding strategy alongside deformable body simulations, VR-GS ensures real-time execution with highly realistic dynamic responses. The components of our Virtual Reality system are designed for high efficiency and effectiveness, starting from detailed scene reconstruction and object segmentation, advancing through multi-view image in-painting, and extending to interactive physics-based editing. The system also incorporates real-time deformation embedding and dynamic shadow casting, ensuring a comprehensive and engaging virtual experience.Our project page is available at: https://yingjiang96.github.io/VR-GS/.

We investigate the use of transformer sequence models as dynamics models (TDMs) for control. In a number of experiments in the DeepMind control suite, we find that first, TDMs perform well in a single-environment learning setting when compared to baseline models. Second, TDMs exhibit strong generalization capabilities to unseen environments, both in a few-shot setting, where a generalist model is fine-tuned with small amounts of data from the target environment, and in a zero-shot setting, where a generalist model is applied to an unseen environment without any further training. We further demonstrate that generalizing system dynamics can work much better than generalizing optimal behavior directly as a policy. This makes TDMs a promising ingredient for a foundation model of control.

Spectral bias is an important observation of neural network training, stating that the network will learn a low frequency representation of the target function before converging to higher frequency components. This property is interesting due to its link to good generalization in over-parameterized networks. However, in low dimensional settings, a severe spectral bias occurs that obstructs convergence to high frequency components entirely. In order to overcome this limitation, one can encode the inputs using a high frequency sinusoidal encoding. Previous works attempted to explain this phenomenon using Neural Tangent Kernel (NTK) and Fourier analysis. However, NTK does not capture real network dynamics, and Fourier analysis only offers a global perspective on the network properties that induce this bias. In this paper, we provide a novel approach towards understanding spectral bias by directly studying ReLU MLP training dynamics. Specifically, we focus on the connection between the computations of ReLU networks (activation regions), and the speed of gradient descent convergence. We study these dynamics in relation to the spatial information of the signal to understand how they influence spectral bias. We then use this formulation to study the severity of spectral bias in low dimensional settings, and how positional encoding overcomes this.

Learning effective reinforcement learning (RL) policies to solve real-world complex tasks can be quite challenging without a high-fidelity simulation environment. In most cases, we are only given imperfect simulators with simplified dynamics, which inevitably lead to severe sim-to-real gaps in RL policy learning. The recently emerged field of offline RL provides another possibility to learn policies directly from pre-collected historical data. However, to achieve reasonable performance, existing offline RL algorithms need impractically large offline data with sufficient state-action space coverage for training. This brings up a new question: is it possible to combine learning from limited real data in offline RL and unrestricted exploration through imperfect simulators in online RL to address the drawbacks of both approaches? In this study, we propose the Dynamics-Aware Hybrid Offline-and-Online Reinforcement Learning (H2O) framework to provide an affirmative answer to this question. H2O introduces a dynamics-aware policy evaluation scheme, which adaptively penalizes the Q function learning on simulated state-action pairs with large dynamics gaps, while also simultaneously allowing learning from a fixed real-world dataset. Through extensive simulation and real-world tasks, as well as theoretical analysis, we demonstrate the superior performance of H2O against other cross-domain online and offline RL algorithms. H2O provides a brand new hybrid offline-and-online RL paradigm, which can potentially shed light on future RL algorithm design for solving practical real-world tasks.

It is well known that the reversibility of Stokes flow makes it difficult for small microorganisms to swim. Inertial effects break this reversibility, allowing new mechanisms of propulsion and feeding. Therefore it is important to understand the effects of unsteady and fluid inertia on the dynamics of microorganisms in flow. In this work, we show how to translate known inertial effects for non-motile organisms to motile ones, from passive to active particles. The method relies on a principle used earlier by Legendre and Magnaudet (1997) to deduce inertial corrections to the lift force on a bubble from the inertial drag on a solid sphere, using the fact that small inertial effects are determined by the far field of the disturbance flow. The method allows for example to compute the inertial effect of unsteady fluid accelerations on motile organisms, and the inertial forces such organisms experience in steady shear flow. We explain why the method fails to describe the effect of convective fluid inertia.

We capitalize on large amounts of unlabeled video in order to learn a model of scene dynamics for both video recognition tasks (e.g. action classification) and video generation tasks (e.g. future prediction). We propose a generative adversarial network for video with a spatio-temporal convolutional architecture that untangles the scene's foreground from the background. Experiments suggest this model can generate tiny videos up to a second at full frame rate better than simple baselines, and we show its utility at predicting plausible futures of static images. Moreover, experiments and visualizations show the model internally learns useful features for recognizing actions with minimal supervision, suggesting scene dynamics are a promising signal for representation learning. We believe generative video models can impact many applications in video understanding and simulation.

Modern large language models (LLMs) employ various forms of logical inference, both implicitly and explicitly, when addressing reasoning tasks. Understanding how to optimally leverage these inference paradigms is critical for advancing LLMs' reasoning capabilities. This paper adopts an exploratory approach by introducing a controlled evaluation environment for analogical reasoning -- a fundamental cognitive task -- that is systematically parameterized across three dimensions: modality (textual, visual, symbolic), difficulty (easy, medium, hard), and task format (multiple-choice or free-text generation). We analyze the comparative dynamics of inductive, abductive, and deductive inference pipelines across these dimensions, and demonstrate that our findings generalize to broader in-context learning tasks. Additionally, we investigate advanced paradigms such as hypothesis selection, verification, and refinement, revealing their potential to scale up logical inference in LLM reasoning. This exploratory study provides a foundation for future research in enhancing LLM reasoning through systematic logical inference strategies.

Understanding training dynamics and feature evolution is crucial for the mechanistic interpretability of large language models (LLMs). Although sparse autoencoders (SAEs) have been used to identify features within LLMs, a clear picture of how these features evolve during training remains elusive. In this study, we: (1) introduce SAE-Track, a novel method to efficiently obtain a continual series of SAEs; (2) mechanistically investigate feature formation and develop a progress measure for it ; and (3) analyze and visualize feature drift during training. Our work provides new insights into the dynamics of features in LLMs, enhancing our understanding of training mechanisms and feature evolution.

Current efforts to learn scalable policies in robotic manipulation primarily fall into two categories: one focuses on "action," which involves behavior cloning from extensive collections of robotic data, while the other emphasizes "vision," enhancing model generalization by pre-training representations or generative models, also referred to as world models, using large-scale visual datasets. This paper presents an end-to-end paradigm that predicts actions using inverse dynamics models conditioned on the robot's forecasted visual states, named Predictive Inverse Dynamics Models (PIDM). By closing the loop between vision and action, the end-to-end PIDM can be a better scalable action learner. In practice, we use Transformers to process both visual states and actions, naming the model Seer. It is initially pre-trained on large-scale robotic datasets, such as DROID, and can be adapted to realworld scenarios with a little fine-tuning data. Thanks to large-scale, end-to-end training and the synergy between vision and action, Seer significantly outperforms previous methods across both simulation and real-world experiments. It achieves improvements of 13% on the LIBERO-LONG benchmark, 21% on CALVIN ABC-D, and 43% in real-world tasks. Notably, Seer sets a new state-of-the-art on CALVIN ABC-D benchmark, achieving an average length of 4.28, and exhibits superior generalization for novel objects, lighting conditions, and environments under high-intensity disturbances on real-world scenarios. Code and models are publicly available at https://github.com/OpenRobotLab/Seer/.

Generating realistic and interactive dynamics of traffic participants according to specific instruction is critical for street scene simulation. However, there is currently a lack of a comprehensive method that generates realistic dynamics of different types of participants including vehicles and pedestrians, with different kinds of interactions between them. In this paper, we introduce ChatDyn, the first system capable of generating interactive, controllable and realistic participant dynamics in street scenes based on language instructions. To achieve precise control through complex language, ChatDyn employs a multi-LLM-agent role-playing approach, which utilizes natural language inputs to plan the trajectories and behaviors for different traffic participants. To generate realistic fine-grained dynamics based on the planning, ChatDyn designs two novel executors: the PedExecutor, a unified multi-task executor that generates realistic pedestrian dynamics under different task plannings; and the VehExecutor, a physical transition-based policy that generates physically plausible vehicle dynamics. Extensive experiments show that ChatDyn can generate realistic driving scene dynamics with multiple vehicles and pedestrians, and significantly outperforms previous methods on subtasks. Code and model will be available at https://vfishc.github.io/chatdyn.

This paper proposes a novel problem: vision-based perception to learn and predict the collective dynamics of multi-agent systems, specifically focusing on interaction strength and convergence time. Multi-agent systems are defined as collections of more than ten interacting agents that exhibit complex group behaviors. Unlike prior studies that assume knowledge of agent positions, we focus on deep learning models to directly predict collective dynamics from visual data, captured as frames or events. Due to the lack of relevant datasets, we create a simulated dataset using a state-of-the-art flocking simulator, coupled with a vision-to-event conversion framework. We empirically demonstrate the effectiveness of event-based representation over traditional frame-based methods in predicting these collective behaviors. Based on our analysis, we present event-based vision for Multi-Agent dynamic Prediction (evMAP), a deep learning architecture designed for real-time, accurate understanding of interaction strength and collective behavior emergence in multi-agent systems.

Earth Observation (EO) data are increasingly used in policy analysis by enabling granular estimation of treatment effects. However, a challenge in EO-based causal inference lies in balancing the trade-off between capturing fine-grained individual heterogeneity and broader contextual information. This paper introduces Multi-scale Concatenation, a family of composable procedures that transform arbitrary single-scale CATE estimation algorithms into multi-scale algorithms. We benchmark the performance of Multi-scale Concatenation on a CATE estimation pipeline combining Vision Transformer (ViT) models fine-tuned on satellite images to encode images of different scales with Causal Forests to obtain the final CATE estimate. We first perform simulation studies, showing how a multi-scale approach captures multi-level dynamics that single-scale ViT models fail to capture. We then apply the multi-scale method to two randomized controlled trials (RCTs) conducted in Peru and Uganda using Landsat satellite imagery. In the RCT analysis, the Rank Average Treatment Effect Ratio (RATE Ratio) measure is employed to assess performance without ground truth individual treatment effects. Results indicate that Multi-scale Concatenation improves the performance of deep learning models in EO-based CATE estimation without the complexity of designing new multi-scale architectures for a specific use case.

This study investigates the application of deep residual networks for predicting the dynamics of interacting three-dimensional rigid bodies. We present a framework combining a 3D physics simulator implemented in C++ with a deep learning model constructed using PyTorch. The simulator generates training data encompassing linear and angular motion, elastic collisions, fluid friction, gravitational effects, and damping. Our deep residual network, consisting of an input layer, multiple residual blocks, and an output layer, is designed to handle the complexities of 3D dynamics. We evaluate the network's performance using a datasetof 10,000 simulated scenarios, each involving 3-5 interacting rigid bodies. The model achieves a mean squared error of 0.015 for position predictions and 0.022 for orientation predictions, representing a 25% improvement over baseline methods. Our results demonstrate the network's ability to capture intricate physical interactions, with particular success in predicting elastic collisions and rotational dynamics. This work significantly contributes to physics-informed machine learning by showcasing the immense potential of deep residual networks in modeling complex 3D physical systems. We discuss our approach's limitations and propose future directions for improving generalization to more diverse object shapes and materials.

The emergence of in-context learning (ICL) is potentially attributed to two major abilities: task recognition (TR) for recognizing the task from demonstrations and utilizing pre-trained priors, and task learning (TL) for learning from demonstrations. However, relationships between the two abilities and how such relationships affect the emergence of ICL is unclear. In this paper, we take the first step by examining the pre-training dynamics of the emergence of ICL. With carefully designed metrics, we find that these two abilities are, in fact, competitive during pre-training. Moreover, we observe a strong negative correlation between the competition and ICL performance. Further analysis of common pre-training factors (i.e., model size, dataset size, and data curriculum) demonstrates possible ways to manage the competition. Based on these insights, we propose a simple yet effective method to better integrate these two abilities for ICL at inference time. Through adaptive ensemble learning, the performance of ICL can be significantly boosted, enabling two small models to outperform a larger one with more than twice the parameters. The code is available at https://github.com/RUCAIBox/Competitive-ICL.

We consider using deep neural networks to solve time-dependent partial differential equations (PDEs), where multi-scale processing is crucial for modeling complex, time-evolving dynamics. While the U-Net architecture with skip connections is commonly used by prior studies to enable multi-scale processing, our analysis shows that the need for features to evolve across layers results in temporally misaligned features in skip connections, which limits the model's performance. To address this limitation, we propose SineNet, consisting of multiple sequentially connected U-shaped network blocks, referred to as waves. In SineNet, high-resolution features are evolved progressively through multiple stages, thereby reducing the amount of misalignment within each stage. We furthermore analyze the role of skip connections in enabling both parallel and sequential processing of multi-scale information. Our method is rigorously tested on multiple PDE datasets, including the Navier-Stokes equations and shallow water equations, showcasing the advantages of our proposed approach over conventional U-Nets with a comparable parameter budget. We further demonstrate that increasing the number of waves in SineNet while maintaining the same number of parameters leads to a monotonically improved performance. The results highlight the effectiveness of SineNet and the potential of our approach in advancing the state-of-the-art in neural PDE solver design. Our code is available as part of AIRS (https://github.com/divelab/AIRS).

Aligning large language models (LLMs) with human intentions has become a critical task for safely deploying models in real-world systems. While existing alignment approaches have seen empirical success, theoretically understanding how these methods affect model behavior remains an open question. Our work provides an initial attempt to theoretically analyze the learning dynamics of human preference alignment. We formally show how the distribution of preference datasets influences the rate of model updates and provide rigorous guarantees on the training accuracy. Our theory also reveals an intricate phenomenon where the optimization is prone to prioritizing certain behaviors with higher preference distinguishability. We empirically validate our findings on contemporary LLMs and alignment tasks, reinforcing our theoretical insights and shedding light on considerations for future alignment approaches. Disclaimer: This paper contains potentially offensive text; reader discretion is advised.

A detailed measurement is made of the metallicity distributions, kinematics and dynamics of the thin and thick disks, across a large disk volume (5.0 leq R leq 15.0 kpc and |Z| leq3.0 kpc), by using the LAMOST-APOGEE red clump stars. The metallicity distributions results show that the radial metallicity gradient Delta[Fe/H]/DeltaR of the thin disk weakens with |Z| from -0.06 dex kpc^{-1} at around |Z| < 0.25 kpc to -0.02 dex kpc^{-1} at around |Z| > 2.75 kpc, while the thick disk displays a global weak positive Delta[Fe/H]/DeltaR, generally weaker than 0.01 dex kpc^{-1}. The vertical metallicity gradient Delta[Fe/H]/Delta|Z| weakened steadily from -0.36 dex kpc^{-1} at R sim 5.5 kpc to -0.05 dex kpc^{-1} at around R > 11.5 kpc for the thin disk, while the thick disk presents an almost constant value (nearly -0.06 sim -0.08 dex kpc^{-1}) for all the R bins. These results indicate the contribution of the radial migration to the disk evolution, and the obvious north-south asymmetry in [Fe/H] may be linked to the disk warp and/or the disk perturbation events. The oscillations of the corrected Delta[Fe/H]/Delta|Z| with R are likely because of the resonances with the Galactic Bar. Our detailed measurements of DeltaV_{phi}/Delta[Fe/H] indicate an "inside-out" and "upside-down" star formation scenario for the thick disk. The results of eccentricity distributions and [alpha/Fe]--velocity dispersion relations are likely to suggest that the thick disk stars require an obvious contribution from other heating mechanisms such as merger and accretion, or born in the chaotic mergers of gas-rich systems and/or turbulent interstellar medium.

Preference-based reinforcement learning (PbRL) aligns a robot behavior with human preferences via a reward function learned from binary feedback over agent behaviors. We show that dynamics-aware reward functions improve the sample efficiency of PbRL by an order of magnitude. In our experiments we iterate between: (1) learning a dynamics-aware state-action representation (z^{sa}) via a self-supervised temporal consistency task, and (2) bootstrapping the preference-based reward function from (z^{sa}), which results in faster policy learning and better final policy performance. For example, on quadruped-walk, walker-walk, and cheetah-run, with 50 preference labels we achieve the same performance as existing approaches with 500 preference labels, and we recover 83\% and 66\% of ground truth reward policy performance versus only 38\% and 21\%. The performance gains demonstrate the benefits of explicitly learning a dynamics-aware reward model. Repo: https://github.com/apple/ml-reed.

Motion trajectories offer reliable references for physics-based motion learning but suffer from sparsity, particularly in regions that lack sufficient data coverage. To address this challenge, we introduce a self-supervised, structured representation and generation method that extracts spatial-temporal relationships in periodic or quasi-periodic motions. The motion dynamics in a continuously parameterized latent space enable our method to enhance the interpolation and generalization capabilities of motion learning algorithms. The motion learning controller, informed by the motion parameterization, operates online tracking of a wide range of motions, including targets unseen during training. With a fallback mechanism, the controller dynamically adapts its tracking strategy and automatically resorts to safe action execution when a potentially risky target is proposed. By leveraging the identified spatial-temporal structure, our work opens new possibilities for future advancements in general motion representation and learning algorithms.

Although much research has been done on proposing new models or loss functions to improve the generalisation of artificial neural networks (ANNs), less attention has been directed to the impact of the training data on generalisation. In this work, we start from approximating the interaction between samples, i.e. how learning one sample would modify the model's prediction on other samples. Through analysing the terms involved in weight updates in supervised learning, we find that labels influence the interaction between samples. Therefore, we propose the labelled pseudo Neural Tangent Kernel (lpNTK) which takes label information into consideration when measuring the interactions between samples. We first prove that lpNTK asymptotically converges to the empirical neural tangent kernel in terms of the Frobenius norm under certain assumptions. Secondly, we illustrate how lpNTK helps to understand learning phenomena identified in previous work, specifically the learning difficulty of samples and forgetting events during learning. Moreover, we also show that using lpNTK to identify and remove poisoning training samples does not hurt the generalisation performance of ANNs.

We propose a new method called the N-particle underdamped Langevin algorithm for optimizing a special class of non-linear functionals defined over the space of probability measures. Examples of problems with this formulation include training mean-field neural networks, maximum mean discrepancy minimization and kernel Stein discrepancy minimization. Our algorithm is based on a novel spacetime discretization of the mean-field underdamped Langevin dynamics, for which we provide a new, fast mixing guarantee. In addition, we demonstrate that our algorithm converges globally in total variation distance, bridging the theoretical gap between the dynamics and its practical implementation.

Recently, many mesh-based graph neural network (GNN) models have been proposed for modeling complex high-dimensional physical systems. Remarkable achievements have been made in significantly reducing the solving time compared to traditional numerical solvers. These methods are typically designed to i) reduce the computational cost in solving physical dynamics and/or ii) propose techniques to enhance the solution accuracy in fluid and rigid body dynamics. However, it remains under-explored whether they are effective in addressing the challenges of flexible body dynamics, where instantaneous collisions occur within a very short timeframe. In this paper, we present Hierarchical Contact Mesh Transformer (HCMT), which uses hierarchical mesh structures and can learn long-range dependencies (occurred by collisions) among spatially distant positions of a body -- two close positions in a higher-level mesh correspond to two distant positions in a lower-level mesh. HCMT enables long-range interactions, and the hierarchical mesh structure quickly propagates collision effects to faraway positions. To this end, it consists of a contact mesh Transformer and a hierarchical mesh Transformer (CMT and HMT, respectively). Lastly, we propose a flexible body dynamics dataset, consisting of trajectories that reflect experimental settings frequently used in the display industry for product designs. We also compare the performance of several baselines using well-known benchmark datasets. Our results show that HCMT provides significant performance improvements over existing methods. Our code is available at https://github.com/yuyudeep/hcmt.

The ability to understand physical dynamics is critical for agents to act in the world. Here, we use Counterfactual World Modeling (CWM) to extract vision structures for dynamics understanding. CWM uses a temporally-factored masking policy for masked prediction of video data without annotations. This policy enables highly effective "counterfactual prompting" of the predictor, allowing a spectrum of visual structures to be extracted from a single pre-trained predictor without finetuning on annotated datasets. We demonstrate that these structures are useful for physical dynamics understanding, allowing CWM to achieve the state-of-the-art performance on the Physion benchmark.

In this paper, we extend mean-field Langevin dynamics to minimax optimization over probability distributions for the first time with symmetric and provably convergent updates. We propose mean-field Langevin averaged gradient (MFL-AG), a single-loop algorithm that implements gradient descent ascent in the distribution spaces with a novel weighted averaging, and establish average-iterate convergence to the mixed Nash equilibrium. We also study both time and particle discretization regimes and prove a new uniform-in-time propagation of chaos result which accounts for the dependency of the particle interactions on all previous distributions. Furthermore, we propose mean-field Langevin anchored best response (MFL-ABR), a symmetric double-loop algorithm based on best response dynamics with linear last-iterate convergence. Finally, we study applications to zero-sum Markov games and conduct simulations demonstrating long-term optimality.

Recently, data augmentation (DA) has emerged as a method for leveraging domain knowledge to inexpensively generate additional data in reinforcement learning (RL) tasks, often yielding substantial improvements in data efficiency. While prior work has demonstrated the utility of incorporating augmented data directly into model-free RL updates, it is not well-understood when a particular DA strategy will improve data efficiency. In this paper, we seek to identify general aspects of DA responsible for observed learning improvements. Our study focuses on sparse-reward tasks with dynamics-invariant data augmentation functions, serving as an initial step towards a more general understanding of DA and its integration into RL training. Experimentally, we isolate three relevant aspects of DA: state-action coverage, reward density, and the number of augmented transitions generated per update (the augmented replay ratio). From our experiments, we draw two conclusions: (1) increasing state-action coverage often has a much greater impact on data efficiency than increasing reward density, and (2) decreasing the augmented replay ratio substantially improves data efficiency. In fact, certain tasks in our empirical study are solvable only when the replay ratio is sufficiently low.

Large language models (LLMs) trained on huge corpora of text datasets demonstrate intriguing capabilities, achieving state-of-the-art performance on tasks they were not explicitly trained for. The precise nature of LLM capabilities is often mysterious, and different prompts can elicit different capabilities through in-context learning. We propose a framework that enables us to analyze in-context learning dynamics to understand latent concepts underlying LLMs' behavioral patterns. This provides a more nuanced understanding than success-or-failure evaluation benchmarks, but does not require observing internal activations as a mechanistic interpretation of circuits would. Inspired by the cognitive science of human randomness perception, we use random binary sequences as context and study dynamics of in-context learning by manipulating properties of context data, such as sequence length. In the latest GPT-3.5+ models, we find emergent abilities to generate seemingly random numbers and learn basic formal languages, with striking in-context learning dynamics where model outputs transition sharply from seemingly random behaviors to deterministic repetition.

Transformer based language models exhibit intelligent behaviors such as understanding natural language, recognizing patterns, acquiring knowledge, reasoning, planning, reflecting and using tools. This paper explores how their underlying mechanics give rise to intelligent behaviors. Towards that end, we propose framing Transformer dynamics as movement through embedding space. Examining Transformers through this perspective reveals key insights, establishing a Theory of Transformers: 1) Intelligent behaviours map to paths in Embedding Space which, the Transformer random-walks through during inferencing. 2) LM training learns a probability distribution over all possible paths. `Intelligence' is learnt by assigning higher probabilities to paths representing intelligent behaviors. No learning can take place in-context; context only narrows the subset of paths sampled during decoding. 5) The Transformer is a self-mapping composition function, folding a context sequence into a context-vector such that it's proximity to a token-vector reflects its co-occurrence and conditioned probability. Thus, the physical arrangement of vectors in Embedding Space determines path probabilities. 6) Context vectors are composed by aggregating features of the sequence's tokens via a process we call the encoding walk. Attention contributes a - potentially redundant - association-bias to this process. 7) This process is comprised of two principal operation types: filtering (data independent) and aggregation (data dependent). This generalization unifies Transformers with other sequence models. Building upon this foundation, we formalize a popular semantic interpretation of embeddings into a ``concept-space theory'' and find some evidence of it's validity.

We present new JWST-NIRSpec IFS data for the luminous infrared galaxy NGC7469: a nearby (70.6Mpc) active galaxy with a Sy 1.5 nucleus that drives a highly ionized gas outflow and a prominent nuclear star-forming ring. Using the superb sensitivity and high spatial resolution of the JWST instrument NIRSpec-IFS, we investigate the role of the Seyfert nucleus in the excitation and dynamics of the circumnuclear gas. Our analysis focuses on the [Fe ii], H2, and hydrogen recombination lines that trace the radiation/shocked-excited molecular and ionized ISM around the AGN. We investigate the gas excitation through H2/Br{\gamma} and [Fe ii]/Paeta emission line ratios and find that photoionization by the AGN dominates within the central 300 pc of the galaxy and together with a small region show ing signatures of shock-heated gas; these shock-heated regions are likely associated with a compact radio jet. In addition, the velocity field and velocity dispersion maps reveal complex gas kinematics. Rotation is the dominant feature, but we also identify non-circular motions consistent with gas inflows as traced by the velocity residuals and the spiral pattern in the Pa{\alpha} velocity dispersion map. The inflow is consistent with the mass outflow rate and two orders of magnitude higher than the AGN accretion rate. The compact nuclear radio jet has enough power to drive the highly ionized outflow. This scenario suggests that the inflow and outflow are in a self-regulating feeding-feedback process, with a contribution from the radio jet helping to drive the outflow.

Humans talk in free-form while negotiating the expressed meanings or common ground. Despite the impressive conversational abilities of the large generative language models, they do not consider the individual differences in contextual understanding in a shared situated environment. In this work, we propose MindDial, a novel conversational framework that can generate situated free-form responses to negotiate common ground. We design an explicit mind module that can track three-level beliefs -- the speaker's belief, the speaker's prediction of the listener's belief, and the common belief based on the gap between the first two. Then the speaking act classification head will decide to continue to talk, end this turn, or take task-related action. We augment a common ground alignment dataset MutualFriend with belief dynamics annotation, of which the goal is to find a single mutual friend based on the free chat between two agents. Experiments show that our model with mental state modeling can resemble human responses when aligning common ground meanwhile mimic the natural human conversation flow. The ablation study further validates the third-level common belief can aggregate information of the first and second-order beliefs and align common ground more efficiently.

Adversarial poisoning attacks pose huge threats to various machine learning applications. Especially, the recent accumulative poisoning attacks show that it is possible to achieve irreparable harm on models via a sequence of imperceptible attacks followed by a trigger batch. Due to the limited data-level discrepancy in real-time data streaming, current defensive methods are indiscriminate in handling the poison and clean samples. In this paper, we dive into the perspective of model dynamics and propose a novel information measure, namely, Memorization Discrepancy, to explore the defense via the model-level information. By implicitly transferring the changes in the data manipulation to that in the model outputs, Memorization Discrepancy can discover the imperceptible poison samples based on their distinct dynamics from the clean samples. We thoroughly explore its properties and propose Discrepancy-aware Sample Correction (DSC) to defend against accumulative poisoning attacks. Extensive experiments comprehensively characterized Memorization Discrepancy and verified its effectiveness. The code is publicly available at: https://github.com/tmlr-group/Memorization-Discrepancy.

While diffusion models can successfully generate data and make predictions, they are predominantly designed for static images. We propose an approach for efficiently training diffusion models for probabilistic spatiotemporal forecasting, where generating stable and accurate rollout forecasts remains challenging, Our method, DYffusion, leverages the temporal dynamics in the data, directly coupling it with the diffusion steps in the model. We train a stochastic, time-conditioned interpolator and a forecaster network that mimic the forward and reverse processes of standard diffusion models, respectively. DYffusion naturally facilitates multi-step and long-range forecasting, allowing for highly flexible, continuous-time sampling trajectories and the ability to trade-off performance with accelerated sampling at inference time. In addition, the dynamics-informed diffusion process in DYffusion imposes a strong inductive bias and significantly improves computational efficiency compared to traditional Gaussian noise-based diffusion models. Our approach performs competitively on probabilistic forecasting of complex dynamics in sea surface temperatures, Navier-Stokes flows, and spring mesh systems.

Dropout is a widely utilized regularization technique in the training of neural networks, nevertheless, its underlying mechanism and its impact on achieving good generalization abilities remain poorly understood. In this work, we derive the stochastic modified equations for analyzing the dynamics of dropout, where its discrete iteration process is approximated by a class of stochastic differential equations. In order to investigate the underlying mechanism by which dropout facilitates the identification of flatter minima, we study the noise structure of the derived stochastic modified equation for dropout. By drawing upon the structural resemblance between the Hessian and covariance through several intuitive approximations, we empirically demonstrate the universal presence of the inverse variance-flatness relation and the Hessian-variance relation, throughout the training process of dropout. These theoretical and empirical findings make a substantial contribution to our understanding of the inherent tendency of dropout to locate flatter minima.

Many learning algorithms used as normative models in neuroscience or as candidate approaches for learning on neuromorphic chips learn by contrasting one set of network states with another. These Contrastive Learning (CL) algorithms are traditionally implemented with rigid, temporally non-local, and periodic learning dynamics that could limit the range of physical systems capable of harnessing CL. In this study, we build on recent work exploring how CL might be implemented by biological or neurmorphic systems and show that this form of learning can be made temporally local, and can still function even if many of the dynamical requirements of standard training procedures are relaxed. Thanks to a set of general theorems corroborated by numerical experiments across several CL models, our results provide theoretical foundations for the study and development of CL methods for biological and neuromorphic neural networks.

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.

Understanding and interpreting dynamics of functional materials in situ is a grand challenge in physics and materials science due to the difficulty of experimentally probing materials at varied length and time scales. X-ray photon correlation spectroscopy (XPCS) is uniquely well-suited for characterizing materials dynamics over wide-ranging time scales, however spatial and temporal heterogeneity in material behavior can make interpretation of experimental XPCS data difficult. In this work we have developed an unsupervised deep learning (DL) framework for automated classification and interpretation of relaxation dynamics from experimental data without requiring any prior physical knowledge of the system behavior. We demonstrate how this method can be used to rapidly explore large datasets to identify samples of interest, and we apply this approach to directly correlate bulk properties of a model system to microscopic dynamics. Importantly, this DL framework is material and process agnostic, marking a concrete step towards autonomous materials discovery.

Existing imitation learning works mainly assume that the demonstrator who collects demonstrations shares the same dynamics as the imitator. However, the assumption limits the usage of imitation learning, especially when collecting demonstrations for the imitator is difficult. In this paper, we study out-of-dynamics imitation learning (OOD-IL), which relaxes the assumption to that the demonstrator and the imitator have the same state spaces but could have different action spaces and dynamics. OOD-IL enables imitation learning to utilize demonstrations from a wide range of demonstrators but introduces a new challenge: some demonstrations cannot be achieved by the imitator due to the different dynamics. Prior works try to filter out such demonstrations by feasibility measurements, but ignore the fact that the demonstrations exhibit a multimodal distribution since the different demonstrators may take different policies in different dynamics. We develop a better transferability measurement to tackle this newly-emerged challenge. We firstly design a novel sequence-based contrastive clustering algorithm to cluster demonstrations from the same mode to avoid the mutual interference of demonstrations from different modes, and then learn the transferability of each demonstration with an adversarial-learning based algorithm in each cluster. Experiment results on several MuJoCo environments, a driving environment, and a simulated robot environment show that the proposed transferability measurement more accurately finds and down-weights non-transferable demonstrations and outperforms prior works on the final imitation learning performance. We show the videos of our experiment results on our website.

Active learning (AL) aims to select the most useful data samples from an unlabeled data pool and annotate them to expand the labeled dataset under a limited budget. Especially, uncertainty-based methods choose the most uncertain samples, which are known to be effective in improving model performance. However, AL literature often overlooks training dynamics (TD), defined as the ever-changing model behavior during optimization via stochastic gradient descent, even though other areas of literature have empirically shown that TD provides important clues for measuring the sample uncertainty. In this paper, we propose a novel AL method, Training Dynamics for Active Learning (TiDAL), which leverages the TD to quantify uncertainties of unlabeled data. Since tracking the TD of all the large-scale unlabeled data is impractical, TiDAL utilizes an additional prediction module that learns the TD of labeled data. To further justify the design of TiDAL, we provide theoretical and empirical evidence to argue the usefulness of leveraging TD for AL. Experimental results show that our TiDAL achieves better or comparable performance on both balanced and imbalanced benchmark datasets compared to state-of-the-art AL methods, which estimate data uncertainty using only static information after model training.

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.

Model-based reinforcement learning (RL) often achieves higher sample efficiency in practice than model-free RL by learning a dynamics model to generate samples for policy learning. Previous works learn a dynamics model that fits under the empirical state-action visitation distribution for all historical policies, i.e., the sample replay buffer. However, in this paper, we observe that fitting the dynamics model under the distribution for all historical policies does not necessarily benefit model prediction for the current policy since the policy in use is constantly evolving over time. The evolving policy during training will cause state-action visitation distribution shifts. We theoretically analyze how this distribution shift over historical policies affects the model learning and model rollouts. We then propose a novel dynamics model learning method, named Policy-adapted Dynamics Model Learning (PDML). PDML dynamically adjusts the historical policy mixture distribution to ensure the learned model can continually adapt to the state-action visitation distribution of the evolving policy. Experiments on a range of continuous control environments in MuJoCo show that PDML achieves significant improvement in sample efficiency and higher asymptotic performance combined with the state-of-the-art model-based RL methods.

Optimization and generalization are two essential aspects of statistical machine learning. In this paper, we propose a framework to connect optimization with generalization by analyzing the generalization error based on the optimization trajectory under the gradient flow algorithm. The key ingredient of this framework is the Uniform-LGI, a property that is generally satisfied when training machine learning models. Leveraging the Uniform-LGI, we first derive convergence rates for gradient flow algorithm, then we give generalization bounds for a large class of machine learning models. We further apply our framework to three distinct machine learning models: linear regression, kernel regression, and two-layer neural networks. Through our approach, we obtain generalization estimates that match or extend previous results.

Effective control and prediction of dynamical systems often require appropriate handling of continuous-time and discrete, event-triggered processes. Stochastic hybrid systems (SHSs), common across engineering domains, provide a formalism for dynamical systems subject to discrete, possibly stochastic, state jumps and multi-modal continuous-time flows. Despite the versatility and importance of SHSs across applications, a general procedure for the explicit learning of both discrete events and multi-mode continuous dynamics remains an open problem. This work introduces Neural Hybrid Automata (NHAs), a recipe for learning SHS dynamics without a priori knowledge on the number of modes and inter-modal transition dynamics. NHAs provide a systematic inference method based on normalizing flows, neural differential equations and self-supervision. We showcase NHAs on several tasks, including mode recovery and flow learning in systems with stochastic transitions, and end-to-end learning of hierarchical robot controllers.

Current deep learning models for dynamics forecasting struggle with generalization. They can only forecast in a specific domain and fail when applied to systems with different parameters, external forces, or boundary conditions. We propose a model-based meta-learning method called DyAd which can generalize across heterogeneous domains by partitioning them into different tasks. DyAd has two parts: an encoder which infers the time-invariant hidden features of the task with weak supervision, and a forecaster which learns the shared dynamics of the entire domain. The encoder adapts and controls the forecaster during inference using adaptive instance normalization and adaptive padding. Theoretically, we prove that the generalization error of such procedure is related to the task relatedness in the source domain, as well as the domain differences between source and target. Experimentally, we demonstrate that our model outperforms state-of-the-art approaches on both turbulent flow and real-world ocean data forecasting tasks.

While contrastive approaches of self-supervised learning (SSL) learn representations by minimizing the distance between two augmented views of the same data point (positive pairs) and maximizing views from different data points (negative pairs), recent non-contrastive SSL (e.g., BYOL and SimSiam) show remarkable performance {\it without} negative pairs, with an extra learnable predictor and a stop-gradient operation. A fundamental question arises: why do these methods not collapse into trivial representations? We answer this question via a simple theoretical study and propose a novel approach, DirectPred, that directly sets the linear predictor based on the statistics of its inputs, without gradient training. On ImageNet, it performs comparably with more complex two-layer non-linear predictors that employ BatchNorm and outperforms a linear predictor by 2.5% in 300-epoch training (and 5% in 60-epoch). DirectPred is motivated by our theoretical study of the nonlinear learning dynamics of non-contrastive SSL in simple linear networks. Our study yields conceptual insights into how non-contrastive SSL methods learn, how they avoid representational collapse, and how multiple factors, like predictor networks, stop-gradients, exponential moving averages, and weight decay all come into play. Our simple theory recapitulates the results of real-world ablation studies in both STL-10 and ImageNet. Code is released https://github.com/facebookresearch/luckmatters/tree/master/ssl.

Stochastic gradient MCMC methods, such as stochastic gradient Langevin dynamics (SGLD), employ fast but noisy gradient estimates to enable large-scale posterior sampling. Although we can easily extend SGLD to distributed settings, it suffers from two issues when applied to federated non-IID data. First, the variance of these estimates increases significantly. Second, delaying communication causes the Markov chains to diverge from the true posterior even for very simple models. To alleviate both these problems, we propose conducive gradients, a simple mechanism that combines local likelihood approximations to correct gradient updates. Notably, conducive gradients are easy to compute, and since we only calculate the approximations once, they incur negligible overhead. We apply conducive gradients to distributed stochastic gradient Langevin dynamics (DSGLD) and call the resulting method federated stochastic gradient Langevin dynamics (FSGLD). We demonstrate that our approach can handle delayed communication rounds, converging to the target posterior in cases where DSGLD fails. We also show that FSGLD outperforms DSGLD for non-IID federated data with experiments on metric learning and neural networks.

We investigate the performance of features that can capture nonlinear recurrence dynamics embedded in the speech signal for the task of Speech Emotion Recognition (SER). Reconstruction of the phase space of each speech frame and the computation of its respective Recurrence Plot (RP) reveals complex structures which can be measured by performing Recurrence Quantification Analysis (RQA). These measures are aggregated by using statistical functionals over segment and utterance periods. We report SER results for the proposed feature set on three databases using different classification methods. When fusing the proposed features with traditional feature sets, we show an improvement in unweighted accuracy of up to 5.7% and 10.7% on Speaker-Dependent (SD) and Speaker-Independent (SI) SER tasks, respectively, over the baseline. Following a segment-based approach we demonstrate state-of-the-art performance on IEMOCAP using a Bidirectional Recurrent Neural Network.

A promising class of generative models maps points from a simple distribution to a complex distribution through an invertible neural network. Likelihood-based training of these models requires restricting their architectures to allow cheap computation of Jacobian determinants. Alternatively, the Jacobian trace can be used if the transformation is specified by an ordinary differential equation. In this paper, we use Hutchinson's trace estimator to give a scalable unbiased estimate of the log-density. The result is a continuous-time invertible generative model with unbiased density estimation and one-pass sampling, while allowing unrestricted neural network architectures. We demonstrate our approach on high-dimensional density estimation, image generation, and variational inference, achieving the state-of-the-art among exact likelihood methods with efficient sampling.

Transformer architecture has shown impressive performance in multiple research domains and has become the backbone of many neural network models. However, there is limited understanding on how it works. In particular, with a simple predictive loss, how the representation emerges from the gradient training dynamics remains a mystery. In this paper, for 1-layer transformer with one self-attention layer plus one decoder layer, we analyze its SGD training dynamics for the task of next token prediction in a mathematically rigorous manner. We open the black box of the dynamic process of how the self-attention layer combines input tokens, and reveal the nature of underlying inductive bias. More specifically, with the assumption (a) no positional encoding, (b) long input sequence, and (c) the decoder layer learns faster than the self-attention layer, we prove that self-attention acts as a discriminative scanning algorithm: starting from uniform attention, it gradually attends more to distinct key tokens for a specific next token to be predicted, and pays less attention to common key tokens that occur across different next tokens. Among distinct tokens, it progressively drops attention weights, following the order of low to high co-occurrence between the key and the query token in the training set. Interestingly, this procedure does not lead to winner-takes-all, but decelerates due to a phase transition that is controllable by the learning rates of the two layers, leaving (almost) fixed token combination. We verify this \emph{scan and snap} dynamics on synthetic and real-world data (WikiText).

Chaotic dynamical systems (DS) are ubiquitous in nature and society. Often we are interested in reconstructing such systems from observed time series for prediction or mechanistic insight, where by reconstruction we mean learning geometrical and invariant temporal properties of the system in question (like attractors). However, training reconstruction algorithms like recurrent neural networks (RNNs) on such systems by gradient-descent based techniques faces severe challenges. This is mainly due to exploding gradients caused by the exponential divergence of trajectories in chaotic systems. Moreover, for (scientific) interpretability we wish to have as low dimensional reconstructions as possible, preferably in a model which is mathematically tractable. Here we report that a surprisingly simple modification of teacher forcing leads to provably strictly all-time bounded gradients in training on chaotic systems, and, when paired with a simple architectural rearrangement of a tractable RNN design, piecewise-linear RNNs (PLRNNs), allows for faithful reconstruction in spaces of at most the dimensionality of the observed system. We show on several DS that with these amendments we can reconstruct DS better than current SOTA algorithms, in much lower dimensions. Performance differences were particularly compelling on real world data with which most other methods severely struggled. This work thus led to a simple yet powerful DS reconstruction algorithm which is highly interpretable at the same time.

Fourier Neural Operators (FNOs) have proven to be an efficient and effective method for resolution-independent operator learning in a broad variety of application areas across scientific machine learning. A key reason for their success is their ability to accurately model long-range dependencies in spatio-temporal data by learning global convolutions in a computationally efficient manner. To this end, FNOs rely on the discrete Fourier transform (DFT), however, DFTs cause visual and spectral artifacts as well as pronounced dissipation when learning operators in spherical coordinates since they incorrectly assume a flat geometry. To overcome this limitation, we generalize FNOs on the sphere, introducing Spherical FNOs (SFNOs) for learning operators on spherical geometries. We apply SFNOs to forecasting atmospheric dynamics, and demonstrate stable auto\-regressive rollouts for a year of simulated time (1,460 steps), while retaining physically plausible dynamics. The SFNO has important implications for machine learning-based simulation of climate dynamics that could eventually help accelerate our response to climate change.

TD-learning is a foundation reinforcement learning (RL) algorithm for value prediction. Critical to the accuracy of value predictions is the quality of state representations. In this work, we consider the question: how does end-to-end TD-learning impact the representation over time? Complementary to prior work, we provide a set of analysis that sheds further light on the representation dynamics under TD-learning. We first show that when the environments are reversible, end-to-end TD-learning strictly decreases the value approximation error over time. Under further assumptions on the environments, we can connect the representation dynamics with spectral decomposition over the transition matrix. This latter finding establishes fitting multiple value functions from randomly generated rewards as a useful auxiliary task for representation learning, as we empirically validate on both tabular and Atari game suites.

Finding the mixed Nash equilibria (MNE) of a two-player zero sum continuous game is an important and challenging problem in machine learning. A canonical algorithm to finding the MNE is the noisy gradient descent ascent method which in the infinite particle limit gives rise to the {\em Mean-Field Gradient Descent Ascent} (GDA) dynamics on the space of probability measures. In this paper, we first study the convergence of a two-scale Mean-Field GDA dynamics for finding the MNE of the entropy-regularized objective. More precisely we show that for each finite temperature (or regularization parameter), the two-scale Mean-Field GDA with a suitable {\em finite} scale ratio converges exponentially to the unique MNE without assuming the convexity or concavity of the interaction potential. The key ingredient of our proof lies in the construction of new Lyapunov functions that dissipate exponentially along the Mean-Field GDA. We further study the simulated annealing of the Mean-Field GDA dynamics. We show that with a temperature schedule that decays logarithmically in time the annealed Mean-Field GDA converges to the MNE of the original unregularized objective.

Data imbalance is a common problem in machine learning that can have a critical effect on the performance of a model. Various solutions exist but their impact on the convergence of the learning dynamics is not understood. Here, we elucidate the significant negative impact of data imbalance on learning, showing that the learning curves for minority and majority classes follow sub-optimal trajectories when training with a gradient-based optimizer. This slowdown is related to the imbalance ratio and can be traced back to a competition between the optimization of different classes. Our main contribution is the analysis of the convergence of full-batch (GD) and stochastic gradient descent (SGD), and of variants that renormalize the contribution of each per-class gradient. We find that GD is not guaranteed to decrease the loss for each class but that this problem can be addressed by performing a per-class normalization of the gradient. With SGD, class imbalance has an additional effect on the direction of the gradients: the minority class suffers from a higher directional noise, which reduces the effectiveness of the per-class gradient normalization. Our findings not only allow us to understand the potential and limitations of strategies involving the per-class gradients, but also the reason for the effectiveness of previously used solutions for class imbalance such as oversampling.

In many video restoration/translation tasks, image processing operations are na\"ively extended to the video domain by processing each frame independently, disregarding the temporal connection of the video frames. This disregard for the temporal connection often leads to severe temporal inconsistencies. State-Of-The-Art (SOTA) techniques that address these inconsistencies rely on the availability of unprocessed videos to implicitly siphon and utilize consistent video dynamics to restore the temporal consistency of frame-wise processed videos which often jeopardizes the translation effect. We propose a general framework for this task that learns to infer and utilize consistent motion dynamics from inconsistent videos to mitigate the temporal flicker while preserving the perceptual quality for both the temporally neighboring and relatively distant frames without requiring the raw videos at test time. The proposed framework produces SOTA results on two benchmark datasets, DAVIS and videvo.net, processed by numerous image processing applications. The code and the trained models are available at https://github.com/MKashifAli/TARONVD.

We propose a federated averaging Langevin algorithm (FA-LD) for uncertainty quantification and mean predictions with distributed clients. In particular, we generalize beyond normal posterior distributions and consider a general class of models. We develop theoretical guarantees for FA-LD for strongly log-concave distributions with non-i.i.d data and study how the injected noise and the stochastic-gradient noise, the heterogeneity of data, and the varying learning rates affect the convergence. Such an analysis sheds light on the optimal choice of local updates to minimize communication costs. Important to our approach is that the communication efficiency does not deteriorate with the injected noise in the Langevin algorithms. In addition, we examine in our FA-LD algorithm both independent and correlated noise used over different clients. We observe there is a trade-off between the pairs among communication, accuracy, and data privacy. As local devices may become inactive in federated networks, we also show convergence results based on different averaging schemes where only partial device updates are available. In such a case, we discover an additional bias that does not decay to zero.

Deep neural networks have become increasingly of interest in dynamical system prediction, but out-of-distribution generalization and long-term stability still remains challenging. In this work, we treat the domain parameters of dynamical systems as factors of variation of the data generating process. By leveraging ideas from supervised disentanglement and causal factorization, we aim to separate the domain parameters from the dynamics in the latent space of generative models. In our experiments we model dynamics both in phase space and in video sequences and conduct rigorous OOD evaluations. Results indicate that disentangled VAEs adapt better to domain parameters spaces that were not present in the training data. At the same time, disentanglement can improve the long-term and out-of-distribution predictions of state-of-the-art models in video sequences.

With the global refugee crisis at a historic high, there is a growing need to assess the impact of refugee settlements on their hosting countries and surrounding environments. Because fires are an important land management practice in smallholder agriculture in sub-Saharan Africa, burned area (BA) mappings can help provide information about the impacts of land management practices on local environments. However, a lack of BA ground-truth data in much of sub-Saharan Africa limits the use of highly scalable deep learning (DL) techniques for such BA mappings. In this work, we propose a scalable transfer learning approach to study BA dynamics in areas with little to no ground-truth data such as the West Nile region in Northern Uganda. We train a deep learning model on BA ground-truth data in Portugal and propose the application of that model on refugee-hosting districts in West Nile between 2015 and 2020. By comparing the district-level BA dynamic with the wider West Nile region, we aim to add understanding of the land management impacts of refugee settlements on their surrounding environments.

Research on human spoken language has shown that speech plays an important role in identifying speaker personality traits. In this work, we propose an approach for identifying speaker personality traits using overlap dynamics in multiparty spoken dialogues. We first define a set of novel features representing the overlap dynamics of each speaker. We then investigate the impact of speaker personality traits on these features using ANOVA tests. We find that features of overlap dynamics significantly vary for speakers with different levels of both Extraversion and Conscientiousness. Finally, we find that classifiers using only overlap dynamics features outperform random guessing in identifying Extraversion and Agreeableness, and that the improvements are statistically significant.

We present an unsupervised representation learning approach that compactly encodes the motion dependencies in videos. Given a pair of images from a video clip, our framework learns to predict the long-term 3D motions. To reduce the complexity of the learning framework, we propose to describe the motion as a sequence of atomic 3D flows computed with RGB-D modality. We use a Recurrent Neural Network based Encoder-Decoder framework to predict these sequences of flows. We argue that in order for the decoder to reconstruct these sequences, the encoder must learn a robust video representation that captures long-term motion dependencies and spatial-temporal relations. We demonstrate the effectiveness of our learned temporal representations on activity classification across multiple modalities and datasets such as NTU RGB+D and MSR Daily Activity 3D. Our framework is generic to any input modality, i.e., RGB, Depth, and RGB-D videos.