Daily Papers

This paper presents a new open-source high-fidelity dataset for Machine Learning (ML) containing 355 geometric variants of the Windsor body, to help the development and testing of ML surrogate models for external automotive aerodynamics. Each Computational Fluid Dynamics (CFD) simulation was run with a GPU-native high-fidelity Wall-Modeled Large-Eddy Simulations (WMLES) using a Cartesian immersed-boundary method using more than 280M cells to ensure the greatest possible accuracy. The dataset contains geometry variants that exhibits a wide range of flow characteristics that are representative of those observed on road-cars. The dataset itself contains the 3D time-averaged volume & boundary data as well as the geometry and force & moment coefficients. This paper discusses the validation of the underlying CFD methods as well as contents and structure of the dataset. To the authors knowledge, this represents the first, large-scale high-fidelity CFD dataset for the Windsor body with a permissive open-source license (CC-BY-SA).

Surrogate models are necessary to optimize meaningful quantities in physical dynamics as their recursive numerical resolutions are often prohibitively expensive. It is mainly the case for fluid dynamics and the resolution of Navier-Stokes equations. However, despite the fast-growing field of data-driven models for physical systems, reference datasets representing real-world phenomena are lacking. In this work, we develop AirfRANS, a dataset for studying the two-dimensional incompressible steady-state Reynolds-Averaged Navier-Stokes equations over airfoils at a subsonic regime and for different angles of attacks. We also introduce metrics on the stress forces at the surface of geometries and visualization of boundary layers to assess the capabilities of models to accurately predict the meaningful information of the problem. Finally, we propose deep learning baselines on four machine learning tasks to study AirfRANS under different constraints for generalization considerations: big and scarce data regime, Reynolds number, and angle of attack extrapolation.

The development of Machine Learning (ML) methods for Computational Fluid Dynamics (CFD) is currently limited by the lack of openly available training data. This paper presents a new open-source dataset comprising of high fidelity, scale-resolving CFD simulations of 500 geometric variations of the Ahmed Car Body - a simplified car-like shape that exhibits many of the flow topologies that are present on bluff bodies such as road vehicles. The dataset contains simulation results that exhibit a broad set of fundamental flow physics such as geometry and pressure-induced flow separation as well as 3D vortical structures. Each variation of the Ahmed car body were run using a high-fidelity, time-accurate, hybrid Reynolds-Averaged Navier-Stokes (RANS) - Large-Eddy Simulation (LES) turbulence modelling approach using the open-source CFD code OpenFOAM. The dataset contains boundary, volume, geometry, and time-averaged forces/moments in widely used open-source formats. In addition, the OpenFOAM case setup is provided so that others can reproduce or extend the dataset. This represents to the authors knowledge, the first open-source large-scale dataset using high-fidelity CFD methods for the widely used Ahmed car body that is available to freely download with a permissive license (CC-BY-SA).

Drug-protein binding and dissociation dynamics are fundamental to understanding molecular interactions in biological systems. While many tools for drug-protein interaction studies have emerged, especially artificial intelligence (AI)-based generative models, predictive tools on binding/dissociation kinetics and dynamics are still limited. We propose a novel research paradigm that combines molecular dynamics (MD) simulations, enhanced sampling, and AI generative models to address this issue. We propose an enhanced sampling strategy to efficiently implement the drug-protein dissociation process in MD simulations and estimate the free energy surface (FES). We constructed a program pipeline of MD simulations based on this sampling strategy, thus generating a dataset including 26,612 drug-protein dissociation trajectories containing about 13 million frames. We named this dissociation dynamics dataset DD-13M and used it to train a deep equivariant generative model UnbindingFlow, which can generate collision-free dissociation trajectories. The DD-13M database and UnbindingFlow model represent a significant advancement in computational structural biology, and we anticipate its broad applicability in machine learning studies of drug-protein interactions. Our ongoing efforts focus on expanding this methodology to encompass a broader spectrum of drug-protein complexes and exploring novel applications in pathway prediction.

Historical weather records from Europe indicate that the Earth experienced substantial climate variability, which caused, for instance, the Little Ice Age and the global crisis in the period between the 14th and 19th centuries. However, it is still unclear how global this climate variability was because of the scarce meteorological data availability in other regions including East Asia, especially around the 17th century. In this context, Seungjeongwon Ilgi, a daily record of the Royal Secretariat of the Joseon Dynasty of Korea, is a precious source of historical meteorological records for the Korean Peninsula, as it covers 288 years of weather observations made during 1623-1910. We used the digital database of Seungjeongwon Ilgi to construct a machine-readable weather condition dataset. To this end, we extracted valid weather information from the original weather description text and compiled them into predefined weather categories. Additionally, we attempted to improve the usability of the dataset by converting the reported dates in the traditional calendar system to those in the Gregorian calendar. Finally, we outlined the promising implications of this dataset for meteorological and climatological studies, while describing the limitations of the dataset. Overall, future studies focusing on the climate and weather of the past could use this meteorological database for investigating long-term climate variability. Our datasets are publicly available at 10.5281/zenodo.8142701.

Machine Learning (ML) has the potential to revolutionise the field of automotive aerodynamics, enabling split-second flow predictions early in the design process. However, the lack of open-source training data for realistic road cars, using high-fidelity CFD methods, represents a barrier to their development. To address this, a high-fidelity open-source (CC-BY-SA) public dataset for automotive aerodynamics has been generated, based on 500 parametrically morphed variants of the widely-used DrivAer notchback generic vehicle. Mesh generation and scale-resolving CFD was executed using consistent and validated automatic workflows representative of the industrial state-of-the-art. Geometries and rich aerodynamic data are published in open-source formats. To our knowledge, this is the first large, public-domain dataset for complex automotive configurations generated using high-fidelity CFD.

The Multi-platform Aggregated Dataset of Online Communities (MADOC) is a comprehensive dataset that facilitates computational social science research by providing FAIR-compliant standardized access to cross-platform analysis of online social dynamics. MADOC aggregates and standardizes data from Bluesky, Koo, Reddit, and Voat (2012-2024), containing 18.9 million posts, 236 million comments, and 23.1 million unique users. The dataset enables comparative studies of toxic behavior evolution across platforms through standardized interaction records and sentiment analysis. By providing UUID-anonymized user histories and temporal alignment of banned communities' activity patterns, MADOC supports research on content moderation impacts and platform migration trends. Distributed via Zenodo with persistent identifiers and Python/R toolkits, the dataset adheres to FAIR principles while addressing post-API-era research challenges through ethical aggregation of public social media archives.

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.

Understanding protein dynamics is critical for elucidating their biological functions. The increasing availability of molecular dynamics (MD) data enables the training of deep generative models to efficiently explore the conformational space of proteins. However, existing approaches either fail to explicitly capture the temporal dependencies between conformations or do not support direct generation of time-independent samples. To address these limitations, we introduce ConfRover, an autoregressive model that simultaneously learns protein conformation and dynamics from MD trajectories, supporting both time-dependent and time-independent sampling. At the core of our model is a modular architecture comprising: (i) an encoding layer, adapted from protein folding models, that embeds protein-specific information and conformation at each time frame into a latent space; (ii) a temporal module, a sequence model that captures conformational dynamics across frames; and (iii) an SE(3) diffusion model as the structure decoder, generating conformations in continuous space. Experiments on ATLAS, a large-scale protein MD dataset of diverse structures, demonstrate the effectiveness of our model in learning conformational dynamics and supporting a wide range of downstream tasks. ConfRover is the first model to sample both protein conformations and trajectories within a single framework, offering a novel and flexible approach for learning from protein MD data.

Protein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and the expanded availability of experimental 3D protein structures have accelerated structure prediction, the dynamic nature of protein structures has received limited attention. This study introduces an innovative 4D diffusion model incorporating molecular dynamics (MD) simulation data to learn dynamic protein structures. Our approach is distinguished by the following components: (1) a unified diffusion model capable of generating dynamic protein structures, including both the backbone and side chains, utilizing atomic grouping and side-chain dihedral angle predictions; (2) a reference network that enhances structural consistency by integrating the latent embeddings of the initial 3D protein structures; and (3) a motion alignment module aimed at improving temporal structural coherence across multiple time steps. To our knowledge, this is the first diffusion-based model aimed at predicting protein trajectories across multiple time steps simultaneously. Validation on benchmark datasets demonstrates that our model exhibits high accuracy in predicting dynamic 3D structures of proteins containing up to 256 amino acids over 32 time steps, effectively capturing both local flexibility in stable states and significant conformational changes.

We study the problem of offline pre-training and online fine-tuning for reinforcement learning from high-dimensional observations in the context of realistic robot tasks. Recent offline model-free approaches successfully use online fine-tuning to either improve the performance of the agent over the data collection policy or adapt to novel tasks. At the same time, model-based RL algorithms have achieved significant progress in sample efficiency and the complexity of the tasks they can solve, yet remain under-utilized in the fine-tuning setting. In this work, we argue that existing model-based offline RL methods are not suitable for offline-to-online fine-tuning in high-dimensional domains due to issues with distribution shifts, off-dynamics data, and non-stationary rewards. We propose an on-policy model-based method that can efficiently reuse prior data through model-based value expansion and policy regularization, while preventing model exploitation by controlling epistemic uncertainty. We find that our approach successfully solves tasks from the MetaWorld benchmark, as well as the Franka Kitchen robot manipulation environment completely from images. To the best of our knowledge, MOTO is the first method to solve this environment from pixels.

The proliferation of Large Language Models (LLMs) has s fueled a shift in robot learning from automation towards general embodied Artificial Intelligence (AI). Adopting foundation models together with traditional learning methods to robot learning has increasingly gained recent interest research community and showed potential for real-life application. However, there are few literatures comprehensively reviewing the relatively new technologies combined with robotics. The purpose of this review is to systematically assess the state-of-the-art foundation model techniques in the robot learning and to identify future potential areas. Specifically, we first summarized the technical evolution of robot learning and identified the necessary preliminary preparations for foundation models including the simulators, datasets, foundation model framework. In addition, we focused on the following four mainstream areas of robot learning including manipulation, navigation, planning, and reasoning and demonstrated how the foundation model techniques can be adopted in the above scenarios. Furthermore, critical issues which are neglected in the current literatures including robot hardware and software decoupling, dynamic data, generalization performance with the presence of human, etc. were discussed. This review highlights the state-of-the-art progress of foundation models in robot learning and future research should focus on multimodal interaction especially dynamics data, exclusive foundation models for robots, and AI alignment, etc.

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.

Recently, data-driven simulators based on graph neural networks have gained attention in modeling physical systems on unstructured meshes. However, they struggle with long-range dependencies in fluid flows, particularly in refined mesh regions. This challenge, known as the 'over-squashing' problem, hinders information propagation. While existing graph rewiring methods address this issue to some extent, they only consider graph topology, overlooking the underlying physical phenomena. We propose Physics-Informed Ollivier-Ricci Flow (PIORF), a novel rewiring method that combines physical correlations with graph topology. PIORF uses Ollivier-Ricci curvature (ORC) to identify bottleneck regions and connects these areas with nodes in high-velocity gradient nodes, enabling long-range interactions and mitigating over-squashing. Our approach is computationally efficient in rewiring edges and can scale to larger simulations. Experimental results on 3 fluid dynamics benchmark datasets show that PIORF consistently outperforms baseline models and existing rewiring methods, achieving up to 26.2 improvement.

In the present research, we delve into the intricate realm of electroencephalogram (EEG) data analysis, focusing on sequence-to-sequence prediction of data across 32 EEG channels. The study harmoniously fuses the principles of applied chaos theory and dynamical systems theory to engender a novel feature set, enriching the representational capacity of our deep learning model. The endeavour's cornerstone is a transformer-based sequence-to-sequence architecture, calibrated meticulously to capture the non-linear and high-dimensional temporal dependencies inherent in EEG sequences. Through judicious architecture design, parameter initialisation strategies, and optimisation techniques, we have navigated the intricate balance between computational expediency and predictive performance. Our model stands as a vanguard in EEG data sequence prediction, demonstrating remarkable generalisability and robustness. The findings not only extend our understanding of EEG data dynamics but also unveil a potent analytical framework that can be adapted to diverse temporal sequence prediction tasks in neuroscience and beyond.

The aim of this study is to develop surrogate models for quick, accurate prediction of thrust forces generated through flapping fin propulsion for given operating conditions and fin geometries. Different network architectures and configurations are explored to model the training data separately for the lead fin and rear fin of a tandem fin setup. We progressively improve the data representation of the input parameter space for model predictions. The models are tested on three unseen fin geometries and the predictions validated with computational fluid dynamics (CFD) data. Finally, the orders of magnitude gains in computational performance of these surrogate models, compared to experimental and CFD runs, vs their tradeoff with accuracy is discussed within the context of this tandem fin configuration.

In the domain of medical imaging, many supervised learning based methods for segmentation face several challenges such as high variability in annotations from multiple experts, paucity of labelled data and class imbalanced datasets. These issues may result in segmentations that lack the requisite precision for clinical analysis and can be misleadingly overconfident without associated uncertainty quantification. We propose the PULASki for biomedical image segmentation that accurately captures variability in expert annotations, even in small datasets. Our approach makes use of an improved loss function based on statistical distances in a conditional variational autoencoder structure (Probabilistic UNet), which improves learning of the conditional decoder compared to the standard cross-entropy particularly in class imbalanced problems. We analyse our method for two structurally different segmentation tasks (intracranial vessel and multiple sclerosis (MS) lesion) and compare our results to four well-established baselines in terms of quantitative metrics and qualitative output. Empirical results demonstrate the PULASKi method outperforms all baselines at the 5\% significance level. The generated segmentations are shown to be much more anatomically plausible than in the 2D case, particularly for the vessel task. Our method can also be applied to a wide range of multi-label segmentation tasks and and is useful for downstream tasks such as hemodynamic modelling (computational fluid dynamics and data assimilation), clinical decision making, and treatment planning.

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have inspired numerous enhancements, including multigrid approaches and K-hop aggregation (using neighbours of distance K), yet they often introduce significant complexity and suffer from limited in-depth investigations. In response to these challenges, we propose a novel Graph Transformer architecture that leverages the adjacency matrix as an attention mask. The proposed approach incorporates innovative augmentations, including Dilated Sliding Windows and Global Attention, to extend receptive fields without sacrificing computational efficiency. Through extensive experimentation, we evaluate model size, adjacency matrix augmentations, positional encoding and K-hop configurations using challenging 3D computational fluid dynamics (CFD) datasets. We also train over 60 models to find a scaling law between training FLOPs and parameters. The introduced models demonstrate remarkable scalability, performing on meshes with up to 300k nodes and 3 million edges. Notably, the smallest model achieves parity with MeshGraphNet while being 7times faster and 6times smaller. The largest model surpasses the previous state-of-the-art by 38.8\% on average and outperforms MeshGraphNet by 52\% on the all-rollout RMSE, while having a similar training speed. Code and datasets are available at https://github.com/DonsetPG/graph-physics.

Hypergraphs are widely being employed to represent complex higher-order relations in real-world applications. Most existing research on hypergraph learning focuses on node-level or edge-level tasks. A practically relevant and more challenging task, edge-dependent node classification (ENC), is still under-explored. In ENC, a node can have different labels across different hyperedges, which requires the modeling of node features unique to each hyperedge. The state-of-the-art ENC solution, WHATsNet, only outputs single node and edge representations, leading to the limitations of entangled edge-specific features and non-adaptive representation sizes when applied to ENC. Additionally, WHATsNet suffers from the common oversmoothing issue in most HGNNs. To address these limitations, we propose CoNHD, a novel HGNN architecture specifically designed to model edge-specific features for ENC. Instead of learning separate representations for nodes and edges, CoNHD reformulates within-edge and within-node interactions as a hypergraph diffusion process over node-edge co-representations. We develop a neural implementation of the proposed diffusion process, leveraging equivariant networks as diffusion operators to effectively learn the diffusion dynamics from data. Extensive experiments demonstrate that CoNHD achieves the best performance across all benchmark ENC datasets and several downstream tasks without sacrificing efficiency. Our implementation is available at https://github.com/zhengyijia/CoNHD.

Scaling robot learning requires vast and diverse datasets. Yet the prevailing data collection paradigm-human teleoperation-remains costly and constrained by manual effort and physical robot access. We introduce Real2Render2Real (R2R2R), a novel approach for generating robot training data without relying on object dynamics simulation or teleoperation of robot hardware. The input is a smartphone-captured scan of one or more objects and a single video of a human demonstration. R2R2R renders thousands of high visual fidelity robot-agnostic demonstrations by reconstructing detailed 3D object geometry and appearance, and tracking 6-DoF object motion. R2R2R uses 3D Gaussian Splatting (3DGS) to enable flexible asset generation and trajectory synthesis for both rigid and articulated objects, converting these representations to meshes to maintain compatibility with scalable rendering engines like IsaacLab but with collision modeling off. Robot demonstration data generated by R2R2R integrates directly with models that operate on robot proprioceptive states and image observations, such as vision-language-action models (VLA) and imitation learning policies. Physical experiments suggest that models trained on R2R2R data from a single human demonstration can match the performance of models trained on 150 human teleoperation demonstrations. Project page: https://real2render2real.com

Large datasets have become commonplace in NLP research. However, the increased emphasis on data quantity has made it challenging to assess the quality of data. We introduce Data Maps---a model-based tool to characterize and diagnose datasets. We leverage a largely ignored source of information: the behavior of the model on individual instances during training (training dynamics) for building data maps. This yields two intuitive measures for each example---the model's confidence in the true class, and the variability of this confidence across epochs---obtained in a single run of training. Experiments across four datasets show that these model-dependent measures reveal three distinct regions in the data map, each with pronounced characteristics. First, our data maps show the presence of "ambiguous" regions with respect to the model, which contribute the most towards out-of-distribution generalization. Second, the most populous regions in the data are "easy to learn" for the model, and play an important role in model optimization. Finally, data maps uncover a region with instances that the model finds "hard to learn"; these often correspond to labeling errors. Our results indicate that a shift in focus from quantity to quality of data could lead to robust models and improved out-of-distribution generalization.

We introduce PACOH-RL, a novel model-based Meta-Reinforcement Learning (Meta-RL) algorithm designed to efficiently adapt control policies to changing dynamics. PACOH-RL meta-learns priors for the dynamics model, allowing swift adaptation to new dynamics with minimal interaction data. Existing Meta-RL methods require abundant meta-learning data, limiting their applicability in settings such as robotics, where data is costly to obtain. To address this, PACOH-RL incorporates regularization and epistemic uncertainty quantification in both the meta-learning and task adaptation stages. When facing new dynamics, we use these uncertainty estimates to effectively guide exploration and data collection. Overall, this enables positive transfer, even when access to data from prior tasks or dynamic settings is severely limited. Our experiment results demonstrate that PACOH-RL outperforms model-based RL and model-based Meta-RL baselines in adapting to new dynamic conditions. Finally, on a real robotic car, we showcase the potential for efficient RL policy adaptation in diverse, data-scarce conditions.

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.

Data augmentation is essential to achieve state-of-the-art performance in many deep learning applications. However, the most effective augmentation techniques become computationally prohibitive for even medium-sized datasets. To address this, we propose a rigorous technique to select subsets of data points that when augmented, closely capture the training dynamics of full data augmentation. We first show that data augmentation, modeled as additive perturbations, improves learning and generalization by relatively enlarging and perturbing the smaller singular values of the network Jacobian, while preserving its prominent directions. This prevents overfitting and enhances learning the harder to learn information. Then, we propose a framework to iteratively extract small subsets of training data that when augmented, closely capture the alignment of the fully augmented Jacobian with labels/residuals. We prove that stochastic gradient descent applied to the augmented subsets found by our approach has similar training dynamics to that of fully augmented data. Our experiments demonstrate that our method achieves 6.3x speedup on CIFAR10 and 2.2x speedup on SVHN, and outperforms the baselines by up to 10% across various subset sizes. Similarly, on TinyImageNet and ImageNet, our method beats the baselines by up to 8%, while achieving up to 3.3x speedup across various subset sizes. Finally, training on and augmenting 50% subsets using our method on a version of CIFAR10 corrupted with label noise even outperforms using the full dataset. Our code is available at: https://github.com/tianyu139/data-efficient-augmentation

This paper introduces WeatherFormer, a transformer encoder-based model designed to learn robust weather features from minimal observations. It addresses the challenge of modeling complex weather dynamics from small datasets, a bottleneck for many prediction tasks in agriculture, epidemiology, and climate science. WeatherFormer was pretrained on a large pretraining dataset comprised of 39 years of satellite measurements across the Americas. With a novel pretraining task and fine-tuning, WeatherFormer achieves state-of-the-art performance in county-level soybean yield prediction and influenza forecasting. Technical innovations include a unique spatiotemporal encoding that captures geographical, annual, and seasonal variations, adapting the transformer architecture to continuous weather data, and a pretraining strategy to learn representations that are robust to missing weather features. This paper for the first time demonstrates the effectiveness of pretraining large transformer encoder models for weather-dependent applications across multiple domains.

Many natural dynamic processes -- such as in vivo cellular differentiation or disease progression -- can only be observed through the lens of static sample snapshots. While challenging, reconstructing their temporal evolution to decipher underlying dynamic properties is of major interest to scientific research. Existing approaches enable data transport along a temporal axis but are poorly scalable in high dimension and require restrictive assumptions to be met. To address these issues, we propose \textbf{Multi-Marginal temporal Schr\"odinger Bridge Matching} (MMtSBM) for video generation from unpaired data, extending the theoretical guarantees and empirical efficiency of Diffusion Schr\"odinger Bridge Matching (arXiv:archive/2303.16852) by deriving the Iterative Markovian Fitting algorithm to multiple marginals in a novel factorized fashion. Experiments show that MMtSBM retains theoretical properties on toy examples, achieves state-of-the-art performance on real world datasets such as transcriptomic trajectory inference in 100 dimensions, and for the first time recovers couplings and dynamics in very high dimensional image settings. Our work establishes multi-marginal Schr\"odinger bridges as a practical and principled approach for recovering hidden dynamics from static data.

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.

Inverse dynamics (ID), which aims at reproducing the driven torques from human kinematic observations, has been a critical tool for gait analysis. However, it is hindered from wider application to general motion due to its limited scalability. Conventional optimization-based ID requires expensive laboratory setups, restricting its availability. To alleviate this problem, we propose to exploit the recently progressive human motion imitation algorithms to learn human inverse dynamics in a data-driven manner. The key insight is that the human ID knowledge is implicitly possessed by motion imitators, though not directly applicable. In light of this, we devise an efficient data collection pipeline with state-of-the-art motion imitation algorithms and physics simulators, resulting in a large-scale human inverse dynamics benchmark as Imitated Dynamics (ImDy). ImDy contains over 150 hours of motion with joint torque and full-body ground reaction force data. With ImDy, we train a data-driven human inverse dynamics solver ImDyS(olver) in a fully supervised manner, which conducts ID and ground reaction force estimation simultaneously. Experiments on ImDy and real-world data demonstrate the impressive competency of ImDyS in human inverse dynamics and ground reaction force estimation. Moreover, the potential of ImDy(-S) as a fundamental motion analysis tool is exhibited with downstream applications. The project page is https://foruck.github.io/ImDy/.

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.

Modern enterprises generate vast streams of time series metrics when monitoring complex systems, known as observability data. Unlike conventional time series from domains such as weather, observability data are zero-inflated, highly stochastic, and exhibit minimal temporal structure. Despite their importance, observability datasets are underrepresented in public benchmarks due to proprietary restrictions. Existing datasets are often anonymized and normalized, removing scale information and limiting their use for tasks beyond forecasting, such as anomaly detection, root-cause analysis, and multi-modal reasoning. To address this gap, we introduce TelecomTS, a large-scale observability dataset derived from a 5G telecommunications network. TelecomTS features heterogeneous, de-anonymized covariates with explicit scale information and supports a suite of downstream tasks, including anomaly detection, root-cause analysis, and a question-answering benchmark requiring multi-modal reasoning. Benchmarking state-of-the-art time series, language, and reasoning models reveals that existing approaches struggle with the abrupt, noisy, and high-variance dynamics of observability data. Our experiments also underscore the importance of preserving covariates' absolute scale, emphasizing the need for foundation time series models that natively leverage scale information for practical observability applications.

Dynamic Mode Decomposition (DMD) is an equation-free method that aims at reconstructing the best linear fit from temporal datasets. In this paper, we show that DMD does not provide accurate approximation for datasets describing oscillatory dynamics, like spiral waves and relaxation oscillations, or spatio-temporal Turing instability. Inspired from the classical "divide and conquer" approach, we propose a piecewise version of DMD (pDMD) to overcome this problem. The main idea is to split the original dataset in N submatrices and then apply the exact (randomized) DMD method in each subset of the obtained partition. We describe the pDMD algorithm in detail and we introduce some error indicators to evaluate its performance when N is increased. Numerical experiments show that very accurate reconstructions are obtained by pDMD for datasets arising from time snapshots of some reaction-diffusion PDE systems, like the FitzHugh-Nagumo model, the lambda-omega system and the DIB morpho-chemical system for battery modeling.

Modelling the complex spatiotemporal patterns of large-scale brain dynamics is crucial for neuroscience, but traditional methods fail to capture the rich structure in modalities such as magnetoencephalography (MEG). Recent advances in deep learning have enabled significant progress in other domains, such as language and vision, by using foundation models at scale. Here, we introduce MEG-GPT, a transformer based foundation model that uses time-attention and next time-point prediction. To facilitate this, we also introduce a novel data-driven tokeniser for continuous MEG data, which preserves the high temporal resolution of continuous MEG signals without lossy transformations. We trained MEG-GPT on tokenised brain region time-courses extracted from a large-scale MEG dataset (N=612, eyes-closed rest, Cam-CAN data), and show that the learnt model can generate data with realistic spatio-spectral properties, including transient events and population variability. Critically, it performs well in downstream decoding tasks, improving downstream supervised prediction task, showing improved zero-shot generalisation across sessions (improving accuracy from 0.54 to 0.59) and subjects (improving accuracy from 0.41 to 0.49) compared to a baseline methods. Furthermore, we show the model can be efficiently fine-tuned on a smaller labelled dataset to boost performance in cross-subject decoding scenarios. This work establishes a powerful foundation model for electrophysiological data, paving the way for applications in computational neuroscience and neural decoding.

Conventional federated learning (FL) frameworks follow a server-driven model where the server determines session initiation and client participation, which faces challenges in accommodating clients' asynchronous needs for model updates. We introduce Client-Driven Federated Learning (CDFL), a novel FL framework that puts clients at the driving role. In CDFL, each client independently and asynchronously updates its model by uploading the locally trained model to the server and receiving a customized model tailored to its local task. The server maintains a repository of cluster models, iteratively refining them using received client models. Our framework accommodates complex dynamics in clients' data distributions, characterized by time-varying mixtures of cluster distributions, enabling rapid adaptation to new tasks with superior performance. In contrast to traditional clustered FL protocols that send multiple cluster models to a client to perform distribution estimation, we propose a paradigm that offloads the estimation task to the server and only sends a single model to a client, and novel strategies to improve estimation accuracy. We provide a theoretical analysis of CDFL's convergence. Extensive experiments across various datasets and system settings highlight CDFL's substantial advantages in model performance and computation efficiency over baselines.

In many real-world multi-agent cooperative tasks, due to high cost and risk, agents cannot continuously interact with the environment and collect experiences during learning, but have to learn from offline datasets. However, the transition dynamics in the dataset of each agent can be much different from the ones induced by the learned policies of other agents in execution, creating large errors in value estimates. Consequently, agents learn uncoordinated low-performing policies. In this paper, we propose a framework for offline decentralized multi-agent reinforcement learning, which exploits value deviation and transition normalization to deliberately modify the transition probabilities. Value deviation optimistically increases the transition probabilities of high-value next states, and transition normalization normalizes the transition probabilities of next states. They together enable agents to learn high-performing and coordinated policies. Theoretically, we prove the convergence of Q-learning under the altered non-stationary transition dynamics. Empirically, we show that the framework can be easily built on many existing offline reinforcement learning algorithms and achieve substantial improvement in a variety of multi-agent tasks.

The pre-trained multi-lingual XLSR model generalizes well for language identification after fine-tuning on unseen languages. However, the performance significantly degrades when the languages are not very distinct from each other, for example, in the case of dialects. Low resource dialect classification remains a challenging problem to solve. We present a new data augmentation method that leverages model training dynamics of individual data points to improve sampling for latent mixup. The method works well in low-resource settings where generalization is paramount. Our datamaps-based mixup technique, which we call Map-Mix improves weighted F1 scores by 2% compared to the random mixup baseline and results in a significantly well-calibrated model. The code for our method is open sourced on https://github.com/skit-ai/Map-Mix.

We present a VAE architecture for encoding and generating high dimensional sequential data, such as video or audio. Our deep generative model learns a latent representation of the data which is split into a static and dynamic part, allowing us to approximately disentangle latent time-dependent features (dynamics) from features which are preserved over time (content). This architecture gives us partial control over generating content and dynamics by conditioning on either one of these sets of features. In our experiments on artificially generated cartoon video clips and voice recordings, we show that we can convert the content of a given sequence into another one by such content swapping. For audio, this allows us to convert a male speaker into a female speaker and vice versa, while for video we can separately manipulate shapes and dynamics. Furthermore, we give empirical evidence for the hypothesis that stochastic RNNs as latent state models are more efficient at compressing and generating long sequences than deterministic ones, which may be relevant for applications in video compression.

Density of the reachable states can help understand the risk of safety-critical systems, especially in situations when worst-case reachability is too conservative. Recent work provides a data-driven approach to compute the density distribution of autonomous systems' forward reachable states online. In this paper, we study the use of such approach in combination with model predictive control for verifiable safe path planning under uncertainties. We first use the learned density distribution to compute the risk of collision online. If such risk exceeds the acceptable threshold, our method will plan for a new path around the previous trajectory, with the risk of collision below the threshold. Our method is well-suited to handle systems with uncertainties and complicated dynamics as our data-driven approach does not need an analytical form of the systems' dynamics and can estimate forward state density with an arbitrary initial distribution of uncertainties. We design two challenging scenarios (autonomous driving and hovercraft control) for safe motion planning in environments with obstacles under system uncertainties. We first show that our density estimation approach can reach a similar accuracy as the Monte-Carlo-based method while using only 0.01X training samples. By leveraging the estimated risk, our algorithm achieves the highest success rate in goal reaching when enforcing the safety rate above 0.99.

This study presents an innovative approach for predicting cryptocurrency time series, specifically focusing on Bitcoin, Ethereum, and Litecoin. The methodology integrates the use of technical indicators, a Performer neural network, and BiLSTM (Bidirectional Long Short-Term Memory) to capture temporal dynamics and extract significant features from raw cryptocurrency data. The application of technical indicators, such facilitates the extraction of intricate patterns, momentum, volatility, and trends. The Performer neural network, employing Fast Attention Via positive Orthogonal Random features (FAVOR+), has demonstrated superior computational efficiency and scalability compared to the traditional Multi-head attention mechanism in Transformer models. Additionally, the integration of BiLSTM in the feedforward network enhances the model's capacity to capture temporal dynamics in the data, processing it in both forward and backward directions. This is particularly advantageous for time series data where past and future data points can influence the current state. The proposed method has been applied to the hourly and daily timeframes of the major cryptocurrencies and its performance has been benchmarked against other methods documented in the literature. The results underscore the potential of the proposed method to outperform existing models, marking a significant progression in the field of cryptocurrency price prediction.

In this paper, we present the VideoLLaMA 2, a set of Video Large Language Models (Video-LLMs) designed to enhance spatial-temporal modeling and audio understanding in video and audio-oriented tasks. Building upon its predecessor, VideoLLaMA 2 incorporates a tailor-made Spatial-Temporal Convolution (STC) connector, which effectively captures the intricate spatial and temporal dynamics of video data. Additionally, we integrate an Audio Branch into the model through joint training, thereby enriching the multimodal understanding capabilities of the model by seamlessly incorporating audio cues. Comprehensive evaluations on multiple-choice video question answering (MC-VQA), open-ended video question answering (OE-VQA), and video captioning (VC) tasks demonstrate that VideoLLaMA 2 consistently achieves competitive results among open-source models and even gets close to some proprietary models on several benchmarks. Furthermore, VideoLLaMA 2 exhibits reasonable improvements in audio-only and audio-video question-answering (AQA & OE-AVQA) benchmarks over existing models. These advancements underline VideoLLaMA 2's superior performance in multimodal comprehension, setting a new standard for intelligent video analysis systems. All models are public to facilitate further research.

We introduce the WorldScore benchmark, the first unified benchmark for world generation. We decompose world generation into a sequence of next-scene generation tasks with explicit camera trajectory-based layout specifications, enabling unified evaluation of diverse approaches from 3D and 4D scene generation to video generation models. The WorldScore benchmark encompasses a curated dataset of 3,000 test examples that span diverse worlds: static and dynamic, indoor and outdoor, photorealistic and stylized. The WorldScore metrics evaluate generated worlds through three key aspects: controllability, quality, and dynamics. Through extensive evaluation of 19 representative models, including both open-source and closed-source ones, we reveal key insights and challenges for each category of models. Our dataset, evaluation code, and leaderboard can be found at https://haoyi-duan.github.io/WorldScore/

Deep learning-based methods have been widely researched in the areas of language and vision, demonstrating their capacity to understand long sequences of data and their usefulness in numerous helio-physics applications. Foundation models (FMs), which are pre-trained on a large-scale datasets, form the basis for a variety of downstream tasks. These models, especially those based on transformers in vision and language, show exceptional potential for adapting to a wide range of downstream applications. In this paper, we provide our perspective on the criteria for designing an FM for heliophysics and associated challenges and applications using the Solar Dynamics Observatory (SDO) dataset. We believe that this is the first study to design an FM in the domain of heliophysics.

We present DrivAerNet++, the largest and most comprehensive multimodal dataset for aerodynamic car design. DrivAerNet++ comprises 8,000 diverse car designs modeled with high-fidelity computational fluid dynamics (CFD) simulations. The dataset includes diverse car configurations such as fastback, notchback, and estateback, with different underbody and wheel designs to represent both internal combustion engines and electric vehicles. Each entry in the dataset features detailed 3D meshes, parametric models, aerodynamic coefficients, and extensive flow and surface field data, along with segmented parts for car classification and point cloud data. This dataset supports a wide array of machine learning applications including data-driven design optimization, generative modeling, surrogate model training, CFD simulation acceleration, and geometric classification. With more than 39 TB of publicly available engineering data, DrivAerNet++ fills a significant gap in available resources, providing high-quality, diverse data to enhance model training, promote generalization, and accelerate automotive design processes. Along with rigorous dataset validation, we also provide ML benchmarking results on the task of aerodynamic drag prediction, showcasing the breadth of applications supported by our dataset. This dataset is set to significantly impact automotive design and broader engineering disciplines by fostering innovation and improving the fidelity of aerodynamic evaluations.

Traditional social media platforms, once envisioned as digital town squares, face growing criticism over corporate control, content moderation, and privacy concerns. Events such as Twitter's acquisition(now X) and major policy changes have driven users toward alternative platforms like Mastodon and Threads. However, this diversification has led to user dispersion and fragmented discussions across isolated social media platforms. To address these issues, federation protocols like ActivityPub have been adopted, with Mastodon leading efforts to build decentralized yet interconnected networks. In March 2024, Threads joined this federation by introducing its Fediverse Sharing service, which enables interactions such as posts, replies, and likes between Threads and Mastodon users as if on a unified platform. Building on this development, we introduce FediverseSharing, the first dataset capturing interactions between 20,000+ Threads users and 20,000+ Mastodon users over a ten-month period. This dataset serves as a foundation for studying cross-platform interactions and the impact of federation as previously two separate platforms integrate.

Understanding human social behaviour is crucial in computer vision and robotics. Micro-level observations like individual actions fall short, necessitating a comprehensive approach that considers individual behaviour, intra-group dynamics, and social group levels for a thorough understanding. To address dataset limitations, this paper introduces JRDB-Social, an extension of JRDB. Designed to fill gaps in human understanding across diverse indoor and outdoor social contexts, JRDB-Social provides annotations at three levels: individual attributes, intra-group interactions, and social group context. This dataset aims to enhance our grasp of human social dynamics for robotic applications. Utilizing the recent cutting-edge multi-modal large language models, we evaluated our benchmark to explore their capacity to decipher social human behaviour.

We present TartanDrive, a large scale dataset for learning dynamics models for off-road driving. We collected a dataset of roughly 200,000 off-road driving interactions on a modified Yamaha Viking ATV with seven unique sensing modalities in diverse terrains. To the authors' knowledge, this is the largest real-world multi-modal off-road driving dataset, both in terms of number of interactions and sensing modalities. We also benchmark several state-of-the-art methods for model-based reinforcement learning from high-dimensional observations on this dataset. We find that extending these models to multi-modality leads to significant performance on off-road dynamics prediction, especially in more challenging terrains. We also identify some shortcomings with current neural network architectures for the off-road driving task. Our dataset is available at https://github.com/castacks/tartan_drive.

In order for large language models to be useful across the globe, they are fine-tuned to follow instructions on multilingual data. Despite the ubiquity of such post-training, a clear understanding of the dynamics that enable cross-lingual transfer remains elusive. This study examines cross-lingual transfer (CLT) dynamics in realistic post-training settings. We study two model families of up to 35B parameters in size trained on carefully controlled mixtures of multilingual data on three generative tasks with varying levels of complexity (summarization, instruction following, and mathematical reasoning) in both single-task and multi-task instruction tuning settings. Overall, we find that the dynamics of cross-lingual transfer and multilingual performance cannot be explained by isolated variables, varying depending on the combination of post-training settings. Finally, we identify the conditions that lead to effective cross-lingual transfer in practice.

Modern machine learning research relies on relatively few carefully curated datasets. Even in these datasets, and typically in `untidy' or raw data, practitioners are faced with significant issues of data quality and diversity which can be prohibitively labor intensive to address. Existing methods for dealing with these challenges tend to make strong assumptions about the particular issues at play, and often require a priori knowledge or metadata such as domain labels. Our work is orthogonal to these methods: we instead focus on providing a unified and efficient framework for Metadata Archaeology -- uncovering and inferring metadata of examples in a dataset. We curate different subsets of data that might exist in a dataset (e.g. mislabeled, atypical, or out-of-distribution examples) using simple transformations, and leverage differences in learning dynamics between these probe suites to infer metadata of interest. Our method is on par with far more sophisticated mitigation methods across different tasks: identifying and correcting mislabeled examples, classifying minority-group samples, prioritizing points relevant for training and enabling scalable human auditing of relevant examples.

A long-standing goal in AI is to build agents that can solve a variety of tasks across different environments, including previously unseen ones. Two dominant approaches tackle this challenge: (i) reinforcement learning (RL), which learns policies through trial and error, and (ii) optimal control, which plans actions using a learned or known dynamics model. However, their relative strengths and weaknesses remain underexplored in the setting where agents must learn from offline trajectories without reward annotations. In this work, we systematically analyze the performance of different RL and control-based methods under datasets of varying quality. On the RL side, we consider goal-conditioned and zero-shot approaches. On the control side, we train a latent dynamics model using the Joint Embedding Predictive Architecture (JEPA) and use it for planning. We study how dataset properties-such as data diversity, trajectory quality, and environment variability-affect the performance of these approaches. Our results show that model-free RL excels when abundant, high-quality data is available, while model-based planning excels in generalization to novel environment layouts, trajectory stitching, and data-efficiency. Notably, planning with a latent dynamics model emerges as a promising approach for zero-shot generalization from suboptimal data.

Complex, temporally evolving phenomena, from climate to brain activity, are governed by dynamical systems (DS). DS reconstruction (DSR) seeks to infer generative surrogate models of these from observed data, reproducing their long-term behavior. Existing DSR approaches require purpose-training for any new system observed, lacking the zero-shot and in-context inference capabilities known from LLMs. Here we introduce DynaMix, a novel multivariate ALRNN-based mixture-of-experts architecture pre-trained for DSR, the first DSR model able to generalize zero-shot to out-of-domain DS. Just from a provided context signal, without any re-training, DynaMix faithfully forecasts the long-term evolution of novel DS where existing time series (TS) foundation models, like Chronos, fail -- at a fraction of the number of parameters and orders of magnitude faster inference times. DynaMix outperforms TS foundation models in terms of long-term statistics, and often also short-term forecasts, even on real-world time series, like traffic or weather data, typically used for training and evaluating TS models, but not at all part of DynaMix' training corpus. We illustrate some of the failure modes of TS models for DSR problems, and conclude that models built on DS principles may bear a huge potential also for advancing the TS prediction field.

Facial expression captioning has found widespread application across various domains. Recently, the emergence of video Multimodal Large Language Models (MLLMs) has shown promise in general video understanding tasks. However, describing facial expressions within videos poses two major challenges for these models: (1) the lack of adequate datasets and benchmarks, and (2) the limited visual token capacity of video MLLMs. To address these issues, this paper introduces a new instruction-following dataset tailored for dynamic facial expression caption. The dataset comprises 5,033 high-quality video clips annotated manually, containing over 700,000 tokens. Its purpose is to improve the capability of video MLLMs to discern subtle facial nuances. Furthermore, we propose FaceTrack-MM, which leverages a limited number of tokens to encode the main character's face. This model demonstrates superior performance in tracking faces and focusing on the facial expressions of the main characters, even in intricate multi-person scenarios. Additionally, we introduce a novel evaluation metric combining event extraction, relation classification, and the longest common subsequence (LCS) algorithm to assess the content consistency and temporal sequence consistency of generated text. Moreover, we present FEC-Bench, a benchmark designed to assess the performance of existing video MLLMs in this specific task. All data and source code will be made publicly available.

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.

Molecular dynamics (MD) simulations play a crucial role in scientific research. Yet their computational cost often limits the timescales and system sizes that can be explored. Most data-driven efforts have been focused on reducing the computational cost of accurate interatomic forces required for solving the equations of motion. Despite their success, however, these machine learning interatomic potentials (MLIPs) are still bound to small time-steps. In this work, we introduce TrajCast, a transferable and data-efficient framework based on autoregressive equivariant message passing networks that directly updates atomic positions and velocities lifting the constraints imposed by traditional numerical integration. We benchmark our framework across various systems, including a small molecule, crystalline material, and bulk liquid, demonstrating excellent agreement with reference MD simulations for structural, dynamical, and energetic properties. Depending on the system, TrajCast allows for forecast intervals up to 30times larger than traditional MD time-steps, generating over 15 ns of trajectory data per day for a solid with more than 4,000 atoms. By enabling efficient large-scale simulations over extended timescales, TrajCast can accelerate materials discovery and explore physical phenomena beyond the reach of traditional simulations and experiments. An open-source implementation of TrajCast is accessible under https://github.com/IBM/trajcast.

Toxicity in digital media poses significant challenges, yet little attention has been given to its dynamics within the rapidly growing medium of podcasts. This paper addresses this gap by analyzing political podcast data to study the emergence and propagation of toxicity, focusing on conversation chains-structured reply patterns within podcast transcripts. Leveraging state-of-the-art transcription models and advanced conversational analysis techniques, we systematically examine toxic discourse in over 30 popular political podcasts in the United States. Our key contributions include: (1) creating a comprehensive dataset of transcribed and diarized political podcasts, identifying thousands of toxic instances using Google's Perspective API, (2) uncovering concerning trends where a majority of episodes contain at least one toxic instance, (3) introducing toxic conversation chains and analyzing their structural and linguistic properties, revealing characteristics such as longer durations, repetitive patterns, figurative language, and emotional cues tied to anger and annoyance, (4) identifying demand-related words like 'want', 'like', and 'know' as precursors to toxicity, and (5) developing predictive models to anticipate toxicity shifts based on annotated change points. Our findings provide critical insights into podcast toxicity and establish a foundation for future research on real-time monitoring and intervention mechanisms to foster healthier discourse in this influential medium.

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/

The development and training of deep learning models have become increasingly costly and complex. Consequently, software engineers are adopting pre-trained models (PTMs) for their downstream applications. The dynamics of the PTM supply chain remain largely unexplored, signaling a clear need for structured datasets that document not only the metadata but also the subsequent applications of these models. Without such data, the MSR community cannot comprehensively understand the impact of PTM adoption and reuse. This paper presents the PeaTMOSS dataset, which comprises metadata for 281,638 PTMs and detailed snapshots for all PTMs with over 50 monthly downloads (14,296 PTMs), along with 28,575 open-source software repositories from GitHub that utilize these models. Additionally, the dataset includes 44,337 mappings from 15,129 downstream GitHub repositories to the 2,530 PTMs they use. To enhance the dataset's comprehensiveness, we developed prompts for a large language model to automatically extract model metadata, including the model's training datasets, parameters, and evaluation metrics. Our analysis of this dataset provides the first summary statistics for the PTM supply chain, showing the trend of PTM development and common shortcomings of PTM package documentation. Our example application reveals inconsistencies in software licenses across PTMs and their dependent projects. PeaTMOSS lays the foundation for future research, offering rich opportunities to investigate the PTM supply chain. We outline mining opportunities on PTMs, their downstream usage, and cross-cutting questions.

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

We show, for the first time, that neural networks trained only on synthetic data achieve state-of-the-art accuracy on the problem of 3D human pose and shape (HPS) estimation from real images. Previous synthetic datasets have been small, unrealistic, or lacked realistic clothing. Achieving sufficient realism is non-trivial and we show how to do this for full bodies in motion. Specifically, our BEDLAM dataset contains monocular RGB videos with ground-truth 3D bodies in SMPL-X format. It includes a diversity of body shapes, motions, skin tones, hair, and clothing. The clothing is realistically simulated on the moving bodies using commercial clothing physics simulation. We render varying numbers of people in realistic scenes with varied lighting and camera motions. We then train various HPS regressors using BEDLAM and achieve state-of-the-art accuracy on real-image benchmarks despite training with synthetic data. We use BEDLAM to gain insights into what model design choices are important for accuracy. With good synthetic training data, we find that a basic method like HMR approaches the accuracy of the current SOTA method (CLIFF). BEDLAM is useful for a variety of tasks and all images, ground truth bodies, 3D clothing, support code, and more are available for research purposes. Additionally, we provide detailed information about our synthetic data generation pipeline, enabling others to generate their own datasets. See the project page: https://bedlam.is.tue.mpg.de/.

Many existing studies have achieved significant improvements in the reasoning capabilities of large language models (LLMs) through reinforcement learning with verifiable rewards (RLVR), while the enhancement of reasoning abilities in small language models (SLMs) has not yet been sufficiently explored. Combining distilled data from larger models with RLVR on small models themselves is a natural approach, but it still faces various challenges and issues. Therefore, we propose \underline{R}ecall-\underline{E}xtend \underline{D}ynamics(RED): Enhancing Small Language Models through Controlled Exploration and Refined Offline Integration. In this paper, we explore the perspective of varying exploration spaces, balancing offline distillation with online reinforcement learning. Simultaneously, we specifically design and optimize for the insertion problem within offline data. By monitoring the ratio of entropy changes in the model concerning offline and online data, we regulate the weight of offline-SFT, thereby addressing the issues of insufficient exploration space in small models and the redundancy and complexity during the distillation process. Furthermore, to tackle the distribution discrepancies between offline data and the current policy, we design a sample-accuracy-based policy shift mechanism that dynamically chooses between imitating offline distilled data and learning from its own policy.

We propose a novel framework for phase retrieval that leverages Langevin dynamics to enable efficient posterior sampling, yielding reconstructions that explicitly balance distortion and perceptual quality. Unlike conventional approaches that prioritize pixel-wise accuracy, our method navigates the perception-distortion tradeoff through a principled combination of stochastic sampling, learned denoising, and model-based updates. The framework comprises three variants of increasing complexity, integrating theoretically grounded Langevin inference, adaptive noise schedule learning, parallel reconstruction sampling, and warm-start initialization from classical solvers. Extensive experiments demonstrate that our method achieves state-of-the-art performance across multiple benchmarks, both in terms of fidelity and perceptual quality.

Energy-efficient ventilation control plays a vital role in reducing building energy consumption while ensuring occupant health and comfort. While Computational Fluid Dynamics (CFD) simulations offer high-fidelity modeling of airflow for building HVAC design, their high computational cost makes them impractical for practical adoption in real-time building management system. In this work, we present a data-driven framework that combines the physical accuracy of CFD with the computational efficiency of machine learning to enable energy-efficient building ventilation control. Our method jointly optimizes airflow supply rates and vent angles to reduce energy use and adhere to air quality constraints. We train a neural operator transformer to learn the mapping from building control actions to airflow field distributions using high-resolution CFD data. This learned operator enables a gradient-based control framework capable of optimal decision-making. Experimental results demonstrate that our approach achieves substantial energy savings compared to maximum airflow rate control, rule-based control, and data-driven control based on regional average CO2 predictions, while consistently maintaining safe indoor air quality. These results highlight the practicality and scalability of our method for enabling safe and energy-efficient building management.

As interest grows in world models that predict future states from current observations and actions, accurately modeling part-level dynamics has become increasingly relevant for various applications. Existing approaches, such as Puppet-Master, rely on fine-tuning large-scale pre-trained video diffusion models, which are impractical for real-world use due to the limitations of 2D video representation and slow processing times. To overcome these challenges, we present PartRM, a novel 4D reconstruction framework that simultaneously models appearance, geometry, and part-level motion from multi-view images of a static object. PartRM builds upon large 3D Gaussian reconstruction models, leveraging their extensive knowledge of appearance and geometry in static objects. To address data scarcity in 4D, we introduce the PartDrag-4D dataset, providing multi-view observations of part-level dynamics across over 20,000 states. We enhance the model's understanding of interaction conditions with a multi-scale drag embedding module that captures dynamics at varying granularities. To prevent catastrophic forgetting during fine-tuning, we implement a two-stage training process that focuses sequentially on motion and appearance learning. Experimental results show that PartRM establishes a new state-of-the-art in part-level motion learning and can be applied in manipulation tasks in robotics. Our code, data, and models are publicly available to facilitate future research.

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum mathcal L_2 relative error observed was approximately 6.5%. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the (mu + 2sigma) boundary was found to be 12%. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

It is well-known that inverse dynamics models can improve tracking performance in robot control. These models need to precisely capture the robot dynamics, which consist of well-understood components, e.g., rigid body dynamics, and effects that remain challenging to capture, e.g., stick-slip friction and mechanical flexibilities. Such effects exhibit hysteresis and partial observability, rendering them, particularly challenging to model. Hence, hybrid models, which combine a physical prior with data-driven approaches are especially well-suited in this setting. We present a novel hybrid model formulation that enables us to identify fully physically consistent inertial parameters of a rigid body dynamics model which is paired with a recurrent neural network architecture, allowing us to capture unmodeled partially observable effects using the network memory. We compare our approach against state-of-the-art inverse dynamics models on a 7 degree of freedom manipulator. Using data sets obtained through an optimal experiment design approach, we study the accuracy of offline torque prediction and generalization capabilities of joint learning methods. In control experiments on the real system, we evaluate the model as a feed-forward term for impedance control and show the feedback gains can be drastically reduced to achieve a given tracking accuracy.

Conversational Spoken Language Models (SLMs) are emerging as a promising paradigm for real-time speech interaction. However, their capacity of temporal dynamics, including the ability to manage timing, tempo and simultaneous speaking, remains a critical and unevaluated challenge for conversational fluency. To address this gap, we introduce the Game-Time Benchmark, a framework to systematically assess these temporal capabilities. Inspired by how humans learn a language through language activities, Game-Time consists of basic instruction-following tasks and advanced tasks with temporal constraints, such as tempo adherence and synchronized responses. Our evaluation of diverse SLM architectures reveals a clear performance disparity: while state-of-the-art models handle basic tasks well, many contemporary systems still struggle with fundamental instruction-following. More critically, nearly all models degrade substantially under temporal constraints, exposing persistent weaknesses in time awareness and full-duplex interaction. The Game-Time Benchmark provides a foundation for guiding future research toward more temporally-aware conversational AI. Demos and datasets are available on our project website https://ga642381.github.io/Game-Time.

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

Multi-agent learning algorithms have been successful at generating superhuman planning in a wide variety of games but have had little impact on the design of deployed multi-agent planners. A key bottleneck in applying these techniques to multi-agent planning is that they require billions of steps of experience. To enable the study of multi-agent planning at this scale, we present GPUDrive, a GPU-accelerated, multi-agent simulator built on top of the Madrona Game Engine that can generate over a million steps of experience per second. Observation, reward, and dynamics functions are written directly in C++, allowing users to define complex, heterogeneous agent behaviors that are lowered to high-performance CUDA. We show that using GPUDrive we are able to effectively train reinforcement learning agents over many scenes in the Waymo Motion dataset, yielding highly effective goal-reaching agents in minutes for individual scenes and generally capable agents in a few hours. We ship these trained agents as part of the code base at https://github.com/Emerge-Lab/gpudrive.

Recent progress in using machine learning models for reasoning tasks has been driven by novel model architectures, large-scale pre-training protocols, and dedicated reasoning datasets for fine-tuning. In this work, to further pursue these advances, we introduce a new data generator for machine reasoning that integrates with an embodied agent. The generated data consists of templated text queries and answers, matched with world-states encoded into a database. The world-states are a result of both world dynamics and the actions of the agent. We show the results of several baseline models on instantiations of train sets. These include pre-trained language models fine-tuned on a text-formatted representation of the database, and graph-structured Transformers operating on a knowledge-graph representation of the database. We find that these models can answer some questions about the world-state, but struggle with others. These results hint at new research directions in designing neural reasoning models and database representations. Code to generate the data will be released at github.com/facebookresearch/neuralmemory

Imitation learning has emerged as a promising approach towards building generalist robots. However, scaling imitation learning for large robot foundation models remains challenging due to its reliance on high-quality expert demonstrations. Meanwhile, large amounts of video data depicting a wide range of environments and diverse behaviors are readily available. This data provides a rich source of information about real-world dynamics and agent-environment interactions. Leveraging this data directly for imitation learning, however, has proven difficult due to the lack of action annotation required for most contemporary methods. In this work, we present Unified World Models (UWM), a framework that allows for leveraging both video and action data for policy learning. Specifically, a UWM integrates an action diffusion process and a video diffusion process within a unified transformer architecture, where independent diffusion timesteps govern each modality. We show that by simply controlling each diffusion timestep, UWM can flexibly represent a policy, a forward dynamics, an inverse dynamics, and a video generator. Through simulated and real-world experiments, we show that: (1) UWM enables effective pretraining on large-scale multitask robot datasets with both dynamics and action predictions, resulting in more generalizable and robust policies than imitation learning, (2) UWM naturally facilitates learning from action-free video data through independent control of modality-specific diffusion timesteps, further improving the performance of finetuned policies. Our results suggest that UWM offers a promising step toward harnessing large, heterogeneous datasets for scalable robot learning, and provides a simple unification between the often disparate paradigms of imitation learning and world modeling. Videos and code are available at https://weirdlabuw.github.io/uwm/.

Language models (LMs), like other neural networks, often favor shortcut heuristics based on surface-level patterns. Although LMs behave like n-gram models early in training, they must eventually learn hierarchical syntactic representations to correctly apply grammatical rules out-of-distribution (OOD). In this work, we use case studies of English grammar to explore how complex, diverse training data drives models to generalize OOD. We construct a framework that unifies our understanding of random variation with training dynamics, rule selection with memorization, and data diversity with complexity. We show that these factors are nuanced, and that intermediate levels of diversity and complexity lead to inconsistent behavior across random seeds and to unstable training dynamics. Our findings emphasize the critical role of training data in shaping generalization patterns and illuminate how competing model strategies lead to inconsistent generalization outcomes across random seeds. Code is available at https://github.com/sunnytqin/concept_comp.git.

Foundation models have transformed machine learning for language and vision, but achieving comparable impact in physical simulation remains a challenge. Data heterogeneity and unstable long-term dynamics inhibit learning from sufficiently diverse dynamics, while varying resolutions and dimensionalities challenge efficient training on modern hardware. Through empirical and theoretical analysis, we incorporate new approaches to mitigate these obstacles, including a harmonic-analysis-based stabilization method, load-balanced distributed 2D and 3D training strategies, and compute-adaptive tokenization. Using these tools, we develop Walrus, a transformer-based foundation model developed primarily for fluid-like continuum dynamics. Walrus is pretrained on nineteen diverse scenarios spanning astrophysics, geoscience, rheology, plasma physics, acoustics, and classical fluids. Experiments show that Walrus outperforms prior foundation models on both short and long term prediction horizons on downstream tasks and across the breadth of pretraining data, while ablation studies confirm the value of our contributions to forecast stability, training throughput, and transfer performance over conventional approaches. Code and weights are released for community use.

Recent advancements in large language models (LLMs) have enabled powerful agent-based applications in finance, particularly for sentiment analysis, financial report comprehension, and stock forecasting. However, existing systems often lack inter-agent coordination, structured self-reflection, and access to high-quality, domain-specific post-training data such as data from trading activities including both market conditions and agent decisions. These data are crucial for agents to understand the market dynamics, improve the quality of decision-making and promote effective coordination. We introduce TradingGroup, a multi-agent trading system designed to address these limitations through a self-reflective architecture and an end-to-end data-synthesis pipeline. TradingGroup consists of specialized agents for news sentiment analysis, financial report interpretation, stock trend forecasting, trading style adaptation, and a trading decision making agent that merges all signals and style preferences to produce buy, sell or hold decisions. Specifically, we design self-reflection mechanisms for the stock forecasting, style, and decision-making agents to distill past successes and failures for similar reasoning in analogous future scenarios and a dynamic risk-management model to offer configurable dynamic stop-loss and take-profit mechanisms. In addition, TradingGroup embeds an automated data-synthesis and annotation pipeline that generates high-quality post-training data for further improving the agent performance through post-training. Our backtesting experiments across five real-world stock datasets demonstrate TradingGroup's superior performance over rule-based, machine learning, reinforcement learning, and existing LLM-based trading strategies.

Neural networks transform high-dimensional data into compact, structured representations, often modeled as elements of a lower dimensional latent space. In this paper, we present an alternative interpretation of neural models as dynamical systems acting on the latent manifold. Specifically, we show that autoencoder models implicitly define a latent vector field on the manifold, derived by iteratively applying the encoding-decoding map, without any additional training. We observe that standard training procedures introduce inductive biases that lead to the emergence of attractor points within this vector field. Drawing on this insight, we propose to leverage the vector field as a representation for the network, providing a novel tool to analyze the properties of the model and the data. This representation enables to: (i) analyze the generalization and memorization regimes of neural models, even throughout training; (ii) extract prior knowledge encoded in the network's parameters from the attractors, without requiring any input data; (iii) identify out-of-distribution samples from their trajectories in the vector field. We further validate our approach on vision foundation models, showcasing the applicability and effectiveness of our method in real-world scenarios.

Data-driven modeling of fluid dynamics has advanced rapidly with neural PDE solvers, yet a fair and strong benchmark remains fragmented due to the absence of unified PDE datasets and standardized evaluation protocols. Although architectural innovations are abundant, fair assessment is further impeded by the lack of clear disentanglement between spatial, temporal and loss modules. In this paper, we introduce FD-Bench, the first fair, modular, comprehensive and reproducible benchmark for data-driven fluid simulation. FD-Bench systematically evaluates 85 baseline models across 10 representative flow scenarios under a unified experimental setup. It provides four key contributions: (1) a modular design enabling fair comparisons across spatial, temporal, and loss function modules; (2) the first systematic framework for direct comparison with traditional numerical solvers; (3) fine-grained generalization analysis across resolutions, initial conditions, and temporal windows; and (4) a user-friendly, extensible codebase to support future research. Through rigorous empirical studies, FD-Bench establishes the most comprehensive leaderboard to date, resolving long-standing issues in reproducibility and comparability, and laying a foundation for robust evaluation of future data-driven fluid models. The code is open-sourced at https://anonymous.4open.science/r/FD-Bench-15BC.

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.

Taking inspiration from physical motion, we present a new self-supervised dynamics learning strategy for videos: Video Time-Differentiation for Instance Discrimination (ViDiDi). ViDiDi is a simple and data-efficient strategy, readily applicable to existing self-supervised video representation learning frameworks based on instance discrimination. At its core, ViDiDi observes different aspects of a video through various orders of temporal derivatives of its frame sequence. These derivatives, along with the original frames, support the Taylor series expansion of the underlying continuous dynamics at discrete times, where higher-order derivatives emphasize higher-order motion features. ViDiDi learns a single neural network that encodes a video and its temporal derivatives into consistent embeddings following a balanced alternating learning algorithm. By learning consistent representations for original frames and derivatives, the encoder is steered to emphasize motion features over static backgrounds and uncover the hidden dynamics in original frames. Hence, video representations are better separated by dynamic features. We integrate ViDiDi into existing instance discrimination frameworks (VICReg, BYOL, and SimCLR) for pretraining on UCF101 or Kinetics and test on standard benchmarks including video retrieval, action recognition, and action detection. The performances are enhanced by a significant margin without the need for large models or extensive datasets.

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.

Data poisoning attacks pose a significant threat to the integrity of machine learning models by leading to misclassification of target distribution data by injecting adversarial examples during training. Existing state-of-the-art (SoTA) defense methods suffer from limitations, such as significantly reduced generalization performance and significant overhead during training, making them impractical or limited for real-world applications. In response to this challenge, we introduce a universal data purification method that defends naturally trained classifiers from malicious white-, gray-, and black-box image poisons by applying a universal stochastic preprocessing step Psi_{T}(x), realized by iterative Langevin sampling of a convergent Energy Based Model (EBM) initialized with an image x. Mid-run dynamics of Psi_{T}(x) purify poison information with minimal impact on features important to the generalization of a classifier network. We show that EBMs remain universal purifiers, even in the presence of poisoned EBM training data, and achieve SoTA defense on leading triggered and triggerless poisons. This work is a subset of a larger framework introduced in \pgen with a more detailed focus on EBM purification and poison defense.

Dataset distillation aims to minimize the time and memory needed for training deep networks on large datasets, by creating a small set of synthetic images that has a similar generalization performance to that of the full dataset. However, current dataset distillation techniques fall short, showing a notable performance gap when compared to training on the original data. In this work, we are the first to argue that using just one synthetic subset for distillation will not yield optimal generalization performance. This is because the training dynamics of deep networks drastically change during the training. Hence, multiple synthetic subsets are required to capture the training dynamics at different phases of training. To address this issue, we propose Progressive Dataset Distillation (PDD). PDD synthesizes multiple small sets of synthetic images, each conditioned on the previous sets, and trains the model on the cumulative union of these subsets without requiring additional training time. Our extensive experiments show that PDD can effectively improve the performance of existing dataset distillation methods by up to 4.3%. In addition, our method for the first time enable generating considerably larger synthetic datasets.

In recent years, applying deep learning to solve physics problems has attracted much attention. Data-driven deep learning methods produce fast numerical operators that can learn approximate solutions to the whole system of partial differential equations (i.e., surrogate modeling). Although these neural networks may have lower accuracy than traditional numerical methods, they, once trained, are orders of magnitude faster at inference. Hence, one crucial feature is that these operators can generalize to unseen PDE parameters without expensive re-training.In this paper, we construct CFDBench, a benchmark tailored for evaluating the generalization ability of neural operators after training in computational fluid dynamics (CFD) problems. It features four classic CFD problems: lid-driven cavity flow, laminar boundary layer flow in circular tubes, dam flows through the steps, and periodic Karman vortex street. The data contains a total of 302K frames of velocity and pressure fields, involving 739 cases with different operating condition parameters, generated with numerical methods. We evaluate the effectiveness of popular neural operators including feed-forward networks, DeepONet, FNO, U-Net, etc. on CFDBnech by predicting flows with non-periodic boundary conditions, fluid properties, and flow domain shapes that are not seen during training. Appropriate modifications were made to apply popular deep neural networks to CFDBench and enable the accommodation of more changing inputs. Empirical results on CFDBench show many baseline models have errors as high as 300% in some problems, and severe error accumulation when performing autoregressive inference. CFDBench facilitates a more comprehensive comparison between different neural operators for CFD compared to existing benchmarks.

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.

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.

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.

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.

Existing studies on talking video generation have predominantly focused on single-person monologues or isolated facial animations, limiting their applicability to realistic multi-human interactions. To bridge this gap, we introduce MIT, a large-scale dataset specifically designed for multi-human talking video generation. To this end, we develop an automatic pipeline that collects and annotates multi-person conversational videos. The resulting dataset comprises 12 hours of high-resolution footage, each featuring two to four speakers, with fine-grained annotations of body poses and speech interactions. It captures natural conversational dynamics in multi-speaker scenario, offering a rich resource for studying interactive visual behaviors. To demonstrate the potential of MIT, we furthur propose CovOG, a baseline model for this novel task. It integrates a Multi-Human Pose Encoder (MPE) to handle varying numbers of speakers by aggregating individual pose embeddings, and an Interactive Audio Driver (IAD) to modulate head dynamics based on speaker-specific audio features. Together, these components showcase the feasibility and challenges of generating realistic multi-human talking videos, establishing MIT as a valuable benchmark for future research. The code is avalibale at: https://github.com/showlab/Multi-human-Talking-Video-Dataset.

3D Gaussian Splatting (3DGS) has gained significant attention for its real-time, photo-realistic rendering in novel-view synthesis and 3D modeling. However, existing methods struggle with accurately modeling scenes affected by transient objects, leading to artifacts in the rendered images. We identify that the Gaussian densification process, while enhancing scene detail capture, unintentionally contributes to these artifacts by growing additional Gaussians that model transient disturbances. To address this, we propose RobustSplat, a robust solution based on two critical designs. First, we introduce a delayed Gaussian growth strategy that prioritizes optimizing static scene structure before allowing Gaussian splitting/cloning, mitigating overfitting to transient objects in early optimization. Second, we design a scale-cascaded mask bootstrapping approach that first leverages lower-resolution feature similarity supervision for reliable initial transient mask estimation, taking advantage of its stronger semantic consistency and robustness to noise, and then progresses to high-resolution supervision to achieve more precise mask prediction. Extensive experiments on multiple challenging datasets show that our method outperforms existing methods, clearly demonstrating the robustness and effectiveness of our method. Our project page is https://fcyycf.github.io/RobustSplat/.

While post-training quantization is widely adopted for efficient deployment of large language models, the mechanisms underlying quantization robustness remain unclear. We conduct a comprehensive analysis of quantization degradation across open-source language model training trajectories up to 32B parameters and 15T training tokens to accurately assess the relationship between training dynamics and quantization performance. Our key finding is that quantization errors in large-scale training runs are driven by a complex interplay between learning rate and other training hyperparameters. Specifically, once learning rates decay, validation loss and quantization error diverge, largely independent of training data scale. To investigate interventions on the training dynamics and identify specific configurations that can modulate quantization robustness favorably, we train our own models in controlled experiments up to 100B tokens. Our results challenge the assumption that increasing dataset scale inherently compromises quantization effectiveness, demonstrating instead that strategic training hyperparameter interventions can improve quantization quality at scale.

Estimating piano dynamic from audio recordings is a fundamental challenge in computational music analysis. In this paper, we propose an efficient multi-task network that jointly predicts dynamic levels, change points, beats, and downbeats from a shared latent representation. These four targets form the metrical structure of dynamics in the music score. Inspired by recent vocal dynamic research, we use a multi-scale network as the backbone, which takes Bark-scale specific loudness as the input feature. Compared to log-Mel as input, this reduces model size from 14.7 M to 0.5 M, enabling long sequential input. We use a 60-second audio length in audio segmentation, which doubled the length of beat tracking commonly used. Evaluated on the public MazurkaBL dataset, our model achieves state-of-the-art results across all tasks. This work sets a new benchmark for piano dynamic estimation and delivers a powerful and compact tool, paving the way for large-scale, resource-efficient analysis of musical expression.

Modeling stochastic dynamics from discrete observations is a key interdisciplinary challenge. Existing methods often fail to estimate the continuous evolution of probability densities from trajectories or face the curse of dimensionality. To address these limitations, we presents a novel paradigm: modeling dynamics directly in the weight space of a neural network by projecting the evolving probability distribution. We first theoretically establish the connection between dynamic optimal transport in measure space and an equivalent energy functional in weight space. Subsequently, we design WeightFlow, which constructs the neural network weights into a graph and learns its evolution via a graph controlled differential equation. Experiments on interdisciplinary datasets demonstrate that WeightFlow improves performance by an average of 43.02\% over state-of-the-art methods, providing an effective and scalable solution for modeling high-dimensional stochastic dynamics.

Understanding labor market dynamics is essential for policymakers, employers, and job seekers. However, comprehensive datasets that capture real-world career trajectories are scarce. In this paper, we introduce JobHop, a large-scale public dataset derived from anonymized resumes provided by VDAB, the public employment service in Flanders, Belgium. Utilizing Large Language Models (LLMs), we process unstructured resume data to extract structured career information, which is then mapped to standardized ESCO occupation codes using a multi-label classification model. This results in a rich dataset of over 2.3 million work experiences, extracted from and grouped into more than 391,000 user resumes and mapped to standardized ESCO occupation codes, offering valuable insights into real-world occupational transitions. This dataset enables diverse applications, such as analyzing labor market mobility, job stability, and the effects of career breaks on occupational transitions. It also supports career path prediction and other data-driven decision-making processes. To illustrate its potential, we explore key dataset characteristics, including job distributions, career breaks, and job transitions, demonstrating its value for advancing labor market research.

Simultaneous localization and mapping (SLAM) technology now has photorealistic mapping capabilities thanks to the real-time high-fidelity rendering capability of 3D Gaussian splatting (3DGS). However, due to the static representation of scenes, current 3DGS-based SLAM encounters issues with pose drift and failure to reconstruct accurate maps in dynamic environments. To address this problem, we present D4DGS-SLAM, the first SLAM method based on 4DGS map representation for dynamic environments. By incorporating the temporal dimension into scene representation, D4DGS-SLAM enables high-quality reconstruction of dynamic scenes. Utilizing the dynamics-aware InfoModule, we can obtain the dynamics, visibility, and reliability of scene points, and filter stable static points for tracking accordingly. When optimizing Gaussian points, we apply different isotropic regularization terms to Gaussians with varying dynamic characteristics. Experimental results on real-world dynamic scene datasets demonstrate that our method outperforms state-of-the-art approaches in both camera pose tracking and map quality.

The recently emerging text-to-motion advances have spired numerous attempts for convenient and interactive human motion generation. Yet, existing methods are largely limited to generating body motions only without considering the rich two-hand motions, let alone handling various conditions like body dynamics or texts. To break the data bottleneck, we propose BOTH57M, a novel multi-modal dataset for two-hand motion generation. Our dataset includes accurate motion tracking for the human body and hands and provides pair-wised finger-level hand annotations and body descriptions. We further provide a strong baseline method, BOTH2Hands, for the novel task: generating vivid two-hand motions from both implicit body dynamics and explicit text prompts. We first warm up two parallel body-to-hand and text-to-hand diffusion models and then utilize the cross-attention transformer for motion blending. Extensive experiments and cross-validations demonstrate the effectiveness of our approach and dataset for generating convincing two-hand motions from the hybrid body-and-textual conditions. Our dataset and code will be disseminated to the community for future research.

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.

Does the People's Republic of China (PRC) interfere with European elections through ethnic Chinese diaspora media? This question forms the basis of an ongoing research project exploring how PRC narratives about European elections are represented in Chinese diaspora media, and thus the objectives of PRC news media manipulation. In order to study diaspora media efficiently and at scale, it is necessary to use techniques derived from quantitative text analysis, such as topic modelling. In this paper, we present a pipeline for studying information dynamics in Chinese media. Firstly, we present KeyNMF, a new approach to static and dynamic topic modelling using transformer-based contextual embedding models. We provide benchmark evaluations to demonstrate that our approach is competitive on a number of Chinese datasets and metrics. Secondly, we integrate KeyNMF with existing methods for describing information dynamics in complex systems. We apply this pipeline to data from five news sites, focusing on the period of time leading up to the 2024 European parliamentary elections. Our methods and results demonstrate the effectiveness of KeyNMF for studying information dynamics in Chinese media and lay groundwork for further work addressing the broader research questions.

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

Trained on internet-scale video data, generative world models are increasingly recognized as powerful world simulators that can generate consistent and plausible dynamics over structure, motion, and physics. This raises a natural question: with the advent of strong video foundational models, might they supplant conventional vision encoder paradigms for general-purpose multimodal understanding? While recent studies have begun to explore the potential of world models on common vision tasks, these explorations typically lack a systematic investigation of generic, multimodal tasks. In this work, we strive to investigate the capabilities when world model priors are transferred into Vision-Language Models: we re-purpose a video diffusion model as a generative encoder to perform a single denoising step and treat the resulting latents as a set of visual embedding. We empirically investigate this class of models, which we refer to as World-Language Models (WorldLMs), and we find that generative encoders can capture latents useful for downstream understanding that show distinctions from conventional encoders. Naming our best-performing variant Dynamic Vision Aligner (DyVA), we further discover that this method significantly enhances spatial reasoning abilities and enables single-image models to perform multi-frame reasoning. Through the curation of a suite of visual reasoning tasks, we find DyVA to surpass both open-source and proprietary baselines, achieving state-of-the-art or comparable performance. We attribute these gains to WorldLM's inherited motion-consistency internalization from video pre-training. Finally, we systematically explore extensive model designs to highlight promising directions for future work. We hope our study can pave the way for a new family of VLMs that leverage priors from world models and are on a promising path towards generalist vision learners.

In molecular dynamics (MD) simulations, rare events, such as protein folding, are typically studied by means of enhanced sampling techniques, most of which rely on the definition of a collective variable (CV) along which the acceleration occurs. Obtaining an expressive CV is crucial, but often hindered by the lack of information about the particular event, e.g., the transition from unfolded to folded conformation. We propose a simulation-free data augmentation strategy using physics-inspired metrics to generate geodesic interpolations resembling protein folding transitions, thereby improving sampling efficiency without true transition state samples. Leveraging interpolation progress parameters, we introduce a regression-based learning scheme for CV models, which outperforms classifier-based methods when transition state data is limited and noisy

Food safety and quality are paramount concerns worldwide, especially concerning nutritional quality and its impact on human health. Ensuring the accuracy and efficiency of milk quality assessment is vital for maintaining the quality of dairy farm produce. Milk spectral data, Mid-infrared spectra (MIRS) of milk samples, are frequently employed for milk quality evaluations, encompassing various milk quality parameters. However, conventional milk quality analyses have overlooked the scaling nature, known as stochastic similarity in different scales, inherent in milk spectral data. Wavelet transforms are among the tools used in these analyses, although they are primarily used as data pre-processing techniques without fully realizing their potential in extracting valuable insights. The primary purpose of this study is to demonstrate the importance of accounting for scaling properties in assessing milk quality. A set of 12 descriptors is computed to characterize scaling properties in milk spectral data within the wavelet domain. These descriptors are then assessed for their effectiveness in milk quality assessments utilizing 18 different milk quality parameters. They notably demonstrated comparable performance to existing methods while utilizing fewer features when applied to an MIRS dataset. This innovative approach holds substantial promise for advancing the field of milk quality assessment, offering a means to achieve more accurate and efficient evaluations while shedding light on previously unexplored aspects of milk spectral data.

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 present a new technique to enhance the robustness of imitation learning methods by generating corrective data to account for compounding errors and disturbances. While existing methods rely on interactive expert labeling, additional offline datasets, or domain-specific invariances, our approach requires minimal additional assumptions beyond access to expert data. The key insight is to leverage local continuity in the environment dynamics to generate corrective labels. Our method first constructs a dynamics model from the expert demonstration, encouraging local Lipschitz continuity in the learned model. In locally continuous regions, this model allows us to generate corrective labels within the neighborhood of the demonstrations but beyond the actual set of states and actions in the dataset. Training on this augmented data enhances the agent's ability to recover from perturbations and deal with compounding errors. We demonstrate the effectiveness of our generated labels through experiments in a variety of robotics domains in simulation that have distinct forms of continuity and discontinuity, including classic control problems, drone flying, navigation with high-dimensional sensor observations, legged locomotion, and tabletop manipulation.

Understanding the temporal dynamics of Earth's surface is a mission of multi-temporal remote sensing image analysis, significantly promoted by deep vision models with its fuel -- labeled multi-temporal images. However, collecting, preprocessing, and annotating multi-temporal remote sensing images at scale is non-trivial since it is expensive and knowledge-intensive. In this paper, we present a scalable multi-temporal remote sensing change data generator via generative modeling, which is cheap and automatic, alleviating these problems. Our main idea is to simulate a stochastic change process over time. We consider the stochastic change process as a probabilistic semantic state transition, namely generative probabilistic change model (GPCM), which decouples the complex simulation problem into two more trackable sub-problems, \ie, change event simulation and semantic change synthesis. To solve these two problems, we present the change generator (Changen), a GAN-based GPCM, enabling controllable object change data generation, including customizable object property, and change event. The extensive experiments suggest that our Changen has superior generation capability, and the change detectors with Changen pre-training exhibit excellent transferability to real-world change datasets.

The impact of randomness on model training is poorly understood. How do differences in data order and initialization actually manifest in the model, such that some training runs outperform others or converge faster? Furthermore, how can we interpret the resulting training dynamics and the phase transitions that characterize different trajectories? To understand the effect of randomness on the dynamics and outcomes of neural network training, we train models multiple times with different random seeds and compute a variety of metrics throughout training, such as the L_2 norm, mean, and variance of the neural network's weights. We then fit a hidden Markov model (HMM) over the resulting sequences of metrics. The HMM represents training as a stochastic process of transitions between latent states, providing an intuitive overview of significant changes during training. Using our method, we produce a low-dimensional, discrete representation of training dynamics on grokking tasks, image classification, and masked language modeling. We use the HMM representation to study phase transitions and identify latent "detour" states that slow down convergence.

Our theoretical understanding of the inner workings of general convolutional neural networks (CNN) is limited. We here present a new stepping stone towards such understanding in the form of a theory of learning in linear CNNs. By analyzing the gradient descent equations, we discover that using convolutions leads to a mismatch between the dataset structure and the network structure. We show that linear CNNs discover the statistical structure of the dataset with non-linear, stage-like transitions, and that the speed of discovery changes depending on this structural mismatch. Moreover, we find that the mismatch lies at the heart of what we call the 'dominant frequency bias', where linear CNNs arrive at these discoveries using only the dominant frequencies of the different structural parts present in the dataset. Our findings can help explain several characteristics of general CNNs, such as their shortcut learning and their tendency to rely on texture instead of shape.

In this work, we consider the problem of deriving and incorporating accurate dynamic models for model predictive control (MPC) with an application to quadrotor control. MPC relies on precise dynamic models to achieve the desired closed-loop performance. However, the presence of uncertainties in complex systems and the environments they operate in poses a challenge in obtaining sufficiently accurate representations of the system dynamics. In this work, we make use of a deep learning tool, knowledge-based neural ordinary differential equations (KNODE), to augment a model obtained from first principles. The resulting hybrid model encompasses both a nominal first-principle model and a neural network learnt from simulated or real-world experimental data. Using a quadrotor, we benchmark our hybrid model against a state-of-the-art Gaussian Process (GP) model and show that the hybrid model provides more accurate predictions of the quadrotor dynamics and is able to generalize beyond the training data. To improve closed-loop performance, the hybrid model is integrated into a novel MPC framework, known as KNODE-MPC. Results show that the integrated framework achieves 60.2% improvement in simulations and more than 21% in physical experiments, in terms of trajectory tracking performance.

Continual Pre-Training (CPT) has become a popular and effective method to apply strong foundation models to specific downstream tasks. In this work, we explore the learning dynamics throughout the CPT process for large language models. We specifically focus on how general and downstream domain performance evolves at each training step, with domain performance measured via validation losses. We have observed that the CPT loss curve fundamentally characterizes the transition from one curve to another hidden curve, and could be described by decoupling the effects of distribution shift and learning rate annealing. We derive a CPT scaling law that combines the two factors, enabling the prediction of loss at any (continual) training steps and across learning rate schedules (LRS) in CPT. Our formulation presents a comprehensive understanding of several critical factors in CPT, including loss potential, peak learning rate, training steps, replay ratio, etc. Moreover, our approach can be adapted to customize training hyper-parameters to different CPT goals such as balancing general and domain-specific performance. Extensive experiments demonstrate that our scaling law holds across various CPT datasets and training hyper-parameters.

World models aim to simulate environments and enable effective agent behavior. However, modeling real-world environments presents unique challenges as they dynamically change across both space and, crucially, time. To capture these composed dynamics, we introduce a Spatio-Temporal Road Image Dataset for Exploration (STRIDE) permuting 360-degree panoramic imagery into rich interconnected observation, state and action nodes. Leveraging this structure, we can simultaneously model the relationship between egocentric views, positional coordinates, and movement commands across both space and time. We benchmark this dataset via TARDIS, a transformer-based generative world model that integrates spatial and temporal dynamics through a unified autoregressive framework trained on STRIDE. We demonstrate robust performance across a range of agentic tasks such as controllable photorealistic image synthesis, instruction following, autonomous self-control, and state-of-the-art georeferencing. These results suggest a promising direction towards sophisticated generalist agents--capable of understanding and manipulating the spatial and temporal aspects of their material environments--with enhanced embodied reasoning capabilities. Training code, datasets, and model checkpoints are made available at https://huggingface.co/datasets/Tera-AI/STRIDE.

In the field of natural language processing, open-domain chatbots have emerged as an important research topic. However, a major limitation of existing open-domain chatbot research is its singular focus on short single-session dialogue, neglecting the potential need for understanding contextual information in multiple consecutive sessions that precede an ongoing dialogue. Among the elements that compose the context in multi-session conversation settings, the time intervals between sessions and the relationships between speakers would be particularly important. Despite their importance, current research efforts have not sufficiently addressed these dialogical components. In this paper, we introduce a new 1M multi-session dialogue dataset, called Conversation Chronicles, for implementing a long-term conversation setup in which time intervals and fine-grained speaker relationships are incorporated. Following recent works, we exploit a large language model to produce the data. The extensive human evaluation shows that dialogue episodes in Conversation Chronicles reflect those properties while maintaining coherent and consistent interactions across all the sessions. We also propose a dialogue model, called ReBot, which consists of chronological summarization and dialogue generation modules using only around 630M parameters. When trained on Conversation Chronicles, ReBot demonstrates long-term context understanding with a high human engagement score.

This work addresses the challenge of forecasting urban water dynamics by developing a multi-input, multi-output deep learning model that incorporates both endogenous variables (e.g., water height or discharge) and exogenous factors (e.g., precipitation history and forecast reports). Unlike conventional forecasting, the proposed model, AquaCast, captures both inter-variable and temporal dependencies across all inputs, while focusing forecast solely on endogenous variables. Exogenous inputs are fused via an embedding layer, eliminating the need to forecast them and enabling the model to attend to their short-term influences more effectively. We evaluate our approach on the LausanneCity dataset, which includes measurements from four urban drainage sensors, and demonstrate state-of-the-art performance when using only endogenous variables. Performance also improves with the inclusion of exogenous variables and forecast reports. To assess generalization and scalability, we additionally test the model on three large-scale synthesized datasets, generated from MeteoSwiss records, the Lorenz Attractors model, and the Random Fields model, each representing a different level of temporal complexity across 100 nodes. The results confirm that our model consistently outperforms existing baselines and maintains a robust and accurate forecast across both real and synthetic datasets.

The groundbreaking advance in materials and chemical research has been driven by the development of atomistic simulations. However, the broader applicability of the atomistic simulations remains restricted, as they inherently depend on energy models that are either inaccurate or computationally prohibitive. Machine learning interatomic potentials (MLIPs) have recently emerged as a promising class of energy models, but their deployment remains challenging due to the lack of systematic protocols for generating diverse training data. Here we automate the construction of training datasets to enable the development of general-purpose MLIPs, by introducing GAIA, an end-to-end framework to build a wide range of atomic arrangements. By employing systematic evaluation of metadynamics for effective structural exploration, GAIA overcomes the heuristic nature of conventional dataset generation. Using GAIA, we constructed Titan25, a benchmark-scale dataset, and trained MLIPs that closely match both static and dynamic density functional theory results. The models further reproduce experimental observations across reactive regimes, including detonation, coalescence, and catalytic activity. GAIA narrows the gap between experiment and simulation, and paves the way for the development of universal MLIPs that can reliably describe a wide spectrum of materials and chemical processes.

The intrinsic dynamics of an object governs its physical behavior in the real world, playing a critical role in enabling physically plausible interactive simulation with 3D assets. Existing methods have attempted to infer the intrinsic dynamics of objects from visual observations, but generally face two major challenges: one line of work relies on manually defined constitutive priors, making it difficult to generalize to complex scenarios; the other models intrinsic dynamics using neural networks, resulting in limited interpretability and poor generalization. To address these challenges, we propose VisionLaw, a bilevel optimization framework that infers interpretable expressions of intrinsic dynamics from visual observations. At the upper level, we introduce an LLMs-driven decoupled constitutive evolution strategy, where LLMs are prompted as a knowledgeable physics expert to generate and revise constitutive laws, with a built-in decoupling mechanism that substantially reduces the search complexity of LLMs. At the lower level, we introduce a vision-guided constitutive evaluation mechanism, which utilizes visual simulation to evaluate the consistency between the generated constitutive law and the underlying intrinsic dynamics, thereby guiding the upper-level evolution. Experiments on both synthetic and real-world datasets demonstrate that VisionLaw can effectively infer interpretable intrinsic dynamics from visual observations. It significantly outperforms existing state-of-the-art methods and exhibits strong generalization for interactive simulation in novel scenarios.

Understanding temporal dynamics is critical for conversational agents, enabling effective content analysis and informed decision-making. However, time-aware datasets, particularly for persona-grounded conversations, are still limited, which narrows their scope and diminishes their complexity. To address this gap, we introduce MTPChat, a multimodal, time-aware persona dialogue dataset that integrates linguistic, visual, and temporal elements within dialogue and persona memory. Leveraging MTPChat, we propose two time-sensitive tasks: Temporal Next Response Prediction (TNRP) and Temporal Grounding Memory Prediction (TGMP), both designed to assess a model's ability to understand implicit temporal cues and dynamic interactions. Additionally, we present an innovative framework featuring an adaptive temporal module to effectively integrate multimodal streams and capture temporal dependencies. Experimental results validate the challenges posed by MTPChat and demonstrate the effectiveness of our framework in multimodal time-sensitive scenarios.

Future link prediction is a fundamental challenge in various real-world dynamic systems. To address this, numerous temporal graph neural networks (temporal GNNs) and benchmark datasets have been developed. However, these datasets often feature excessive repeated edges and lack complex sequential dynamics, a key characteristic inherent in many real-world applications such as recommender systems and ``Who-To-Follow'' on social networks. This oversight has led existing methods to inadvertently downplay the importance of learning sequential dynamics, focusing primarily on predicting repeated edges. In this study, we demonstrate that existing methods, such as GraphMixer and DyGFormer, are inherently incapable of learning simple sequential dynamics, such as ``a user who has followed OpenAI and Anthropic is more likely to follow AI at Meta next.'' Motivated by this issue, we introduce the Temporal Graph Benchmark with Sequential Dynamics (TGB-Seq), a new benchmark carefully curated to minimize repeated edges, challenging models to learn sequential dynamics and generalize to unseen edges. TGB-Seq comprises large real-world datasets spanning diverse domains, including e-commerce interactions, movie ratings, business reviews, social networks, citation networks and web link networks. Benchmarking experiments reveal that current methods usually suffer significant performance degradation and incur substantial training costs on TGB-Seq, posing new challenges and opportunities for future research. TGB-Seq datasets, leaderboards, and example codes are available at https://tgb-seq.github.io/.

Attention guides our gaze to fixate the proper location of the scene and holds it in that location for the deserved amount of time given current processing demands, before shifting to the next one. As such, gaze deployment crucially is a temporal process. Existing computational models have made significant strides in predicting spatial aspects of observer's visual scanpaths (where to look), while often putting on the background the temporal facet of attention dynamics (when). In this paper we present TPP-Gaze, a novel and principled approach to model scanpath dynamics based on Neural Temporal Point Process (TPP), that jointly learns the temporal dynamics of fixations position and duration, integrating deep learning methodologies with point process theory. We conduct extensive experiments across five publicly available datasets. Our results show the overall superior performance of the proposed model compared to state-of-the-art approaches. Source code and trained models are publicly available at: https://github.com/phuselab/tppgaze.

In the early 2000s, renowned chef Heston Blumenthal formulated his "food pairing" hypothesis, positing that if foods share many flavor compounds, then they tend to taste good when eaten together. In 2011, Ahn et al. conducted a study using a dataset of recipes, ingredients, and flavor compounds, finding that, in Western cuisine, ingredients in recipes often share more flavor compounds than expected by chance, indicating a natural tendency towards food pairing. Building upon Ahn's research, our work applies state-of-the-art collaborative filtering techniques to the dataset, providing a tool that can recommend new foods to add in recipes, retrieve missing ingredients and advise against certain combinations. We create our recommender in two ways, by taking into account ingredients appearances in recipes or shared flavor compounds between foods. While our analysis confirms the existence of food pairing, the recipe-based recommender performs significantly better than the flavor-based one, leading to the conclusion that food pairing is just one of the principles to take into account when creating recipes. Furthermore, and more interestingly, we find that food pairing in data is mostly due to trivial couplings of very similar ingredients, leading to a reconsideration of its current role in recipes, from being an already existing feature to a key to open up new scenarios in gastronomy. Our flavor-based recommender can thus leverage this novel concept and provide a new tool to lead culinary innovation.

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.

Generating images with a Text-to-Image model often requires multiple trials, where human users iteratively update their prompt based on feedback, namely the output image. Taking inspiration from cognitive work on reference games and dialogue alignment, this paper analyzes the dynamics of the user prompts along such iterations. We compile a dataset of iterative interactions of human users with Midjourney. Our analysis then reveals that prompts predictably converge toward specific traits along these iterations. We further study whether this convergence is due to human users, realizing they missed important details, or due to adaptation to the model's ``preferences'', producing better images for a specific language style. We show initial evidence that both possibilities are at play. The possibility that users adapt to the model's preference raises concerns about reusing user data for further training. The prompts may be biased towards the preferences of a specific model, rather than align with human intentions and natural manner of expression.

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.

Recent sequential recommendation models rely increasingly on consecutive short-term user-item interaction sequences to model user interests. These approaches have, however, raised concerns about both short- and long-term interests. (1) {\it short-term}: interaction sequences may not result from a monolithic interest, but rather from several intertwined interests, even within a short period of time, resulting in their failures to model skip behaviors; (2) {\it long-term}: interaction sequences are primarily observed sparsely at discrete intervals, other than consecutively over the long run. This renders difficulty in inferring long-term interests, since only discrete interest representations can be derived, without taking into account interest dynamics across sequences. In this study, we address these concerns by learning (1) multi-scale representations of short-term interests; and (2) dynamics-aware representations of long-term interests. To this end, we present an Interest Dynamics modeling framework using generative Neural Processes, coined IDNP, to model user interests from a functional perspective. IDNP learns a global interest function family to define each user's long-term interest as a function instantiation, manifesting interest dynamics through function continuity. Specifically, IDNP first encodes each user's short-term interactions into multi-scale representations, which are then summarized as user context. By combining latent global interest with user context, IDNP then reconstructs long-term user interest functions and predicts interactions at upcoming query timestep. Moreover, IDNP can model such interest functions even when interaction sequences are limited and non-consecutive. Extensive experiments on four real-world datasets demonstrate that our model outperforms state-of-the-arts on various evaluation metrics.

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.

Machine learning force fields (MLFF) have been proposed to accelerate molecular dynamics (MD) simulation, which finds widespread applications in chemistry and biomedical research. Even for the most data-efficient MLFFs, reaching chemical accuracy can require hundreds of frames of force and energy labels generated by expensive quantum mechanical algorithms, which may scale as O(n^3) to O(n^7), with n proportional to the number of basis functions. To address this issue, we propose a multi-stage computational framework -- ASTEROID, which lowers the data cost of MLFFs by leveraging a combination of cheap inaccurate data and expensive accurate data. The motivation behind ASTEROID is that inaccurate data, though incurring large bias, can help capture the sophisticated structures of the underlying force field. Therefore, we first train a MLFF model on a large amount of inaccurate training data, employing a bias-aware loss function to prevent the model from overfitting tahe potential bias of this data. We then fine-tune the obtained model using a small amount of accurate training data, which preserves the knowledge learned from the inaccurate training data while significantly improving the model's accuracy. Moreover, we propose a variant of ASTEROID based on score matching for the setting where the inaccurate training data are unlabeled. Extensive experiments on MD datasets and downstream tasks validate the efficacy of ASTEROID. Our code and data are available at https://github.com/abukharin3/asteroid.