Daily Papers

We investigate magnetic-field amplification driven by the nonresonant hybrid (NRH or Bell) instability and its impact on cosmic-ray (CR) acceleration at reverse shocks of ultrafast outflows (UFOs) from active galactic nuclei (AGN). Previous kinetic studies by particle-in-cell simulations have demonstrated that when maximum CR energy is near the injection scale, NRH instability efficiently amplifies magnetic field up to the saturation level. However, the efficiency of NRH instability goes down as maximum energy increase since CR current is carried by escaping CRs near the maximum energy. We employ a one-dimensional MHD--CR framework solving telegraph-type diffusion--convection equations to trace the coupled evolution of CRs, magnetic fields, and shock dynamics under realistic parameters. We find a distinct transition with magnetic field strength: for weak background fields (B_{0}!lesssim!10^{-4},G), NRH instability efficiently amplifies upstream turbulence, driving a self-regulated state where E_{max} becomes independent of initial strength of magnetic turbulence. In contrast, for stronger background fields (B_{0}!gtrsim!10^{-3},G), the escaping CR current is too weak to drive NRH instability, and magnetic turbulence further decays through parametric instabilities, potentially reducing the acceleration efficiency. We give the physical interpretation for the transition and discuss conditions for PeV--EeV acceleration at UFO reverse shocks.

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.

Red supergiants may lose significant mass through steady winds and episodic eruptions in the final 100-1000 years before the core collapses, shaping their circumstellar environment. Interaction between supernova (SN) ejecta and distant circumstellar material (CSM) can generate shocks, which can energize the ejecta and serve as a key power source during the nebular phase of the SN. In the present work, we investigate the nebular spectrum of SN 2023ixf, observed one year post-explosion (at +363 d) with the recently commissioned WEAVE instrument on the 4.2m William Herschel Telescope. This marks the first supernova spectrum captured with WEAVE. In this spectrum, Halpha exhibits a peculiar evolution, flanked by blueward and redward broad components centred at simpm 5650,km,s^{-1} from the rest velocity of Halpha, which are seen for only a few SNe to date. These features indicate energy deposition from shocks generated by the interaction of ejecta with a CSM expelled nearly 350 - 640 years pre-explosion. Comparisons of the +363 d spectrum with model spectra from the literature, that include varying shock powers, suggest a shock power of at least sim 5 times 10 ^{40},erg,s^{-1} at this epoch. Additionally, analysis of the [O I] doublet, along with other prominent emission lines, provides evidence for clumpiness, dust formation, and asymmetry within the ejecta and/or the surrounding CSM. These emission lines also helped to constrain the oxygen mass (approx0.19^{scriptscriptstyle +0.08}_{scriptscriptstyle -0.04} M_odot), He-core mass (<3 M_odot) and the zero-age main sequence mass (lesssim 12 M_odot) of the progenitor of SN 2023ixf. The comparison with other Type II SNe highlights SN 2023ixf's unique shock interaction signatures and evidence of dust formation, setting it apart in terms of evolution and dynamics.

Being able to harness the power of large datasets for developing cooperative multi-agent controllers promises to unlock enormous value for real-world applications. Many important industrial systems are multi-agent in nature and are difficult to model using bespoke simulators. However, in industry, distributed processes can often be recorded during operation, and large quantities of demonstrative data stored. Offline multi-agent reinforcement learning (MARL) provides a promising paradigm for building effective decentralised controllers from such datasets. However, offline MARL is still in its infancy and therefore lacks standardised benchmark datasets and baselines typically found in more mature subfields of reinforcement learning (RL). These deficiencies make it difficult for the community to sensibly measure progress. In this work, we aim to fill this gap by releasing off-the-grid MARL (OG-MARL): a growing repository of high-quality datasets with baselines for cooperative offline MARL research. Our datasets provide settings that are characteristic of real-world systems, including complex environment dynamics, heterogeneous agents, non-stationarity, many agents, partial observability, suboptimality, sparse rewards and demonstrated coordination. For each setting, we provide a range of different dataset types (e.g. Good, Medium, Poor, and Replay) and profile the composition of experiences for each dataset. We hope that OG-MARL will serve the community as a reliable source of datasets and help drive progress, while also providing an accessible entry point for researchers new to the field.

Foundation models have revolutionized natural language processing through a ``train once, deploy anywhere'' paradigm, where a single pre-trained model adapts to countless downstream tasks without retraining. Access to a Physics Foundation Model (PFM) would be transformative -- democratizing access to high-fidelity simulations, accelerating scientific discovery, and eliminating the need for specialized solver development. Yet current physics-aware machine learning approaches remain fundamentally limited to single, narrow domains and require retraining for each new system. We present the General Physics Transformer (GPhyT), trained on 1.8 TB of diverse simulation data, that demonstrates foundation model capabilities are achievable for physics. Our key insight is that transformers can learn to infer governing dynamics from context, enabling a single model to simulate fluid-solid interactions, shock waves, thermal convection, and multi-phase dynamics without being told the underlying equations. GPhyT achieves three critical breakthroughs: (1) superior performance across multiple physics domains, outperforming specialized architectures by up to 29x, (2) zero-shot generalization to entirely unseen physical systems through in-context learning, and (3) stable long-term predictions through 50-timestep rollouts. By establishing that a single model can learn generalizable physical principles from data alone, this work opens the path toward a universal PFM that could transform computational science and engineering.

The dynamics of materials failure is one of the most critical phenomena in a range of scientific and engineering fields, from healthcare to structural materials to transportation. In this paper we propose a specially designed deep neural network, DyFraNet, which can predict dynamic fracture behaviors by identifying a complete history of fracture propagation - from cracking onset, as a crack grows through the material, modeled as a series of frames evolving over time and dependent on each other. Furthermore, this model can not only forecast future fracture processes but also backcast to elucidate the past fracture history. In this scenario, once provided with the outcome of a fracture event, the model will elucidate past events that led to this state and will predict the future evolution of the failure process. By comparing the predicted results with atomistic-level simulations and theory, we show that DyFraNet can capture dynamic fracture mechanics by accurately predicting how cracks develop over time, including measures such as the crack speed, as well as when cracks become unstable. We use GradCAM to interpret how DyFraNet perceives the relationship between geometric conditions and fracture dynamics and we find DyFraNet pays special attention to the areas around crack tips, which have a critical influence in the early stage of fracture propagation. In later stages, the model pays increased attention to the existing or newly formed damage distribution in the material. The proposed approach offers significant potential to accelerate the exploration of the dynamics in material design against fracture failures and can be beneficially adapted for all kinds of dynamical engineering problems.

We consider the problem of modeling high-speed flows using machine learning methods. While most prior studies focus on low-speed fluid flows in which uniform time-stepping is practical, flows approaching and exceeding the speed of sound exhibit sudden changes such as shock waves. In such cases, it is essential to use adaptive time-stepping methods to allow a temporal resolution sufficient to resolve these phenomena while simultaneously balancing computational costs. Here, we propose a two-phase machine learning method, known as ShockCast, to model high-speed flows with adaptive time-stepping. In the first phase, we propose to employ a machine learning model to predict the timestep size. In the second phase, the predicted timestep is used as an input along with the current fluid fields to advance the system state by the predicted timestep. We explore several physically-motivated components for timestep prediction and introduce timestep conditioning strategies inspired by neural ODE and Mixture of Experts. As ShockCast is the first framework for learning high-speed flows, we evaluate our methods by generating two supersonic flow datasets, available at https://huggingface.co/datasets/divelab. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

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.

Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of interatomic forces. Machine learning models have substantially accelerated MD by providing inexpensive predictions of the forces, but they remain constrained to minuscule time integration steps, which are required by the fast time scale of atomic motion. In this work, we propose FlashMD, a method to predict the evolution of positions and momenta over strides that are between one and two orders of magnitude longer than typical MD time steps. We incorporate considerations on the mathematical and physical properties of Hamiltonian dynamics in the architecture, generalize the approach to allow the simulation of any thermodynamic ensemble, and carefully assess the possible failure modes of such a long-stride MD approach. We validate FlashMD's accuracy in reproducing equilibrium and time-dependent properties, using both system-specific and general-purpose models, extending the ability of MD simulation to reach the long time scales needed to model microscopic processes of high scientific and technological relevance.

Causal discovery for dynamical systems poses a major challenge in fields where active interventions are infeasible. Most methods used to investigate these systems and their associated benchmarks are tailored to deterministic, low-dimensional and weakly nonlinear time-series data. To address these limitations, we present CausalDynamics, a large-scale benchmark and extensible data generation framework to advance the structural discovery of dynamical causal models. Our benchmark consists of true causal graphs derived from thousands of coupled ordinary and stochastic differential equations as well as two idealized climate models. We perform a comprehensive evaluation of state-of-the-art causal discovery algorithms for graph reconstruction on systems with noisy, confounded, and lagged dynamics. CausalDynamics consists of a plug-and-play, build-your-own coupling workflow that enables the construction of a hierarchy of physical systems. We anticipate that our framework will facilitate the development of robust causal discovery algorithms that are broadly applicable across domains while addressing their unique challenges. We provide a user-friendly implementation and documentation on https://kausable.github.io/CausalDynamics.

A droplet impacting a deep fluid bath is as common as rain over the ocean. If the impact is sufficiently gentle, the mediating air layer remains intact, and the droplet may rebound completely from the interface. In this work, we experimentally investigate the role of translational bath motion on the bouncing to coalescence transition. Over a range of parameters, we find that the relative bath motion systematically decreases the normal Weber number required to transition from bouncing to merging. Direct numerical simulations demonstrate that the depression created during impact combined with the translational motion of the bath enhances the air layer drainage on the upstream side of the droplet, ultimately favoring coalescence. A simple geometric argument is presented that rationalizes the collapse of the experimental threshold data, extending what is known for the case of axisymmetric normal impacts to the more general 3D scenario of interest herein.

Real-world time series are often governed by complex nonlinear dynamics. Understanding these underlying dynamics is crucial for precise future prediction. While deep learning has achieved major success in time series forecasting, many existing approaches do not explicitly model the dynamics. To bridge this gap, we introduce DeepEDM, a framework that integrates nonlinear dynamical systems modeling with deep neural networks. Inspired by empirical dynamic modeling (EDM) and rooted in Takens' theorem, DeepEDM presents a novel deep model that learns a latent space from time-delayed embeddings, and employs kernel regression to approximate the underlying dynamics, while leveraging efficient implementation of softmax attention and allowing for accurate prediction of future time steps. To evaluate our method, we conduct comprehensive experiments on synthetic data of nonlinear dynamical systems as well as real-world time series across domains. Our results show that DeepEDM is robust to input noise, and outperforms state-of-the-art methods in forecasting accuracy. Our code is available at: https://abrarmajeedi.github.io/deep_edm.

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.

We introduce X-Dyna, a novel zero-shot, diffusion-based pipeline for animating a single human image using facial expressions and body movements derived from a driving video, that generates realistic, context-aware dynamics for both the subject and the surrounding environment. Building on prior approaches centered on human pose control, X-Dyna addresses key shortcomings causing the loss of dynamic details, enhancing the lifelike qualities of human video animations. At the core of our approach is the Dynamics-Adapter, a lightweight module that effectively integrates reference appearance context into the spatial attentions of the diffusion backbone while preserving the capacity of motion modules in synthesizing fluid and intricate dynamic details. Beyond body pose control, we connect a local control module with our model to capture identity-disentangled facial expressions, facilitating accurate expression transfer for enhanced realism in animated scenes. Together, these components form a unified framework capable of learning physical human motion and natural scene dynamics from a diverse blend of human and scene videos. Comprehensive qualitative and quantitative evaluations demonstrate that X-Dyna outperforms state-of-the-art methods, creating highly lifelike and expressive animations. The code is available at https://github.com/bytedance/X-Dyna.

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

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

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

Generalizing policies across different domains with dynamics mismatch poses a significant challenge in reinforcement learning. For example, a robot learns the policy in a simulator, but when it is deployed in the real world, the dynamics of the environment may be different. Given the source and target domain with dynamics mismatch, we consider the online dynamics adaptation problem, in which case the agent can access sufficient source domain data while online interactions with the target domain are limited. Existing research has attempted to solve the problem from the dynamics discrepancy perspective. In this work, we reveal the limitations of these methods and explore the problem from the value difference perspective via a novel insight on the value consistency across domains. Specifically, we present the Value-Guided Data Filtering (VGDF) algorithm, which selectively shares transitions from the source domain based on the proximity of paired value targets across the two domains. Empirical results on various environments with kinematic and morphology shifts demonstrate that our method achieves superior performance compared to prior approaches.

Learning dynamics, which describes how the learning of specific training examples influences the model's predictions on other examples, gives us a powerful tool for understanding the behavior of deep learning systems. We study the learning dynamics of large language models during different types of finetuning, by analyzing the step-wise decomposition of how influence accumulates among different potential responses. Our framework allows a uniform interpretation of many interesting observations about the training of popular algorithms for both instruction tuning and preference tuning. In particular, we propose a hypothetical explanation of why specific types of hallucination are strengthened after finetuning, e.g., the model might use phrases or facts in the response for question B to answer question A, or the model might keep repeating similar simple phrases when generating responses. We also extend our framework and highlight a unique "squeezing effect" to explain a previously observed phenomenon in off-policy direct preference optimization (DPO), where running DPO for too long makes even the desired outputs less likely. This framework also provides insights into where the benefits of on-policy DPO and other variants come from. The analysis not only provides a novel perspective of understanding LLM's finetuning but also inspires a simple, effective method to improve alignment performance.

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.

A fundamental dilemma in generative modeling persists: iterative diffusion models achieve outstanding fidelity, but at a significant computational cost, while efficient few-step alternatives are constrained by a hard quality ceiling. This conflict between generation steps and output quality arises from restrictive training objectives that focus exclusively on either infinitesimal dynamics (PF-ODEs) or direct endpoint prediction. We address this challenge by introducing an exact, continuous-time dynamics equation that analytically defines state transitions across any finite time interval. This leads to a novel generative paradigm, Transition Models (TiM), which adapt to arbitrary-step transitions, seamlessly traversing the generative trajectory from single leaps to fine-grained refinement with more steps. Despite having only 865M parameters, TiM achieves state-of-the-art performance, surpassing leading models such as SD3.5 (8B parameters) and FLUX.1 (12B parameters) across all evaluated step counts. Importantly, unlike previous few-step generators, TiM demonstrates monotonic quality improvement as the sampling budget increases. Additionally, when employing our native-resolution strategy, TiM delivers exceptional fidelity at resolutions up to 4096x4096.

Dynamical systems with complex behaviours, e.g. immune system cells interacting with a pathogen, are commonly modelled by splitting the behaviour into different regimes, or modes, each with simpler dynamics, and then learning the switching behaviour from one mode to another. Switching Dynamical Systems (SDS) are a powerful tool that automatically discovers these modes and mode-switching behaviour from time series data. While effective, these methods focus on independent objects, where the modes of one object are independent of the modes of the other objects. In this paper, we focus on the more general interacting object setting for switching dynamical systems, where the per-object dynamics also depends on an unknown and dynamically changing subset of other objects and their modes. To this end, we propose a novel graph-based approach for switching dynamical systems, GRAph Switching dynamical Systems (GRASS), in which we use a dynamic graph to characterize interactions between objects and learn both intra-object and inter-object mode-switching behaviour. We introduce two new datasets for this setting, a synthesized ODE-driven particles dataset and a real-world Salsa Couple Dancing dataset. Experiments show that GRASS can consistently outperforms previous state-of-the-art methods.

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

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

Deep reinforcement learning (DRL) has shown significant promise for uncovering sophisticated control policies that interact in environments with complicated dynamics, such as stabilizing the magnetohydrodynamics of a tokamak fusion reactor or minimizing the drag force exerted on an object in a fluid flow. However, these algorithms require an abundance of training examples and may become prohibitively expensive for many applications. In addition, the reliance on deep neural networks often results in an uninterpretable, black-box policy that may be too computationally expensive to use with certain embedded systems. Recent advances in sparse dictionary learning, such as the sparse identification of nonlinear dynamics (SINDy), have shown promise for creating efficient and interpretable data-driven models in the low-data regime. In this work we introduce SINDy-RL, a unifying framework for combining SINDy and DRL to create efficient, interpretable, and trustworthy representations of the dynamics model, reward function, and control policy. We demonstrate the effectiveness of our approaches on benchmark control environments and challenging fluids problems. SINDy-RL achieves comparable performance to state-of-the-art DRL algorithms using significantly fewer interactions in the environment and results in an interpretable control policy orders of magnitude smaller than a deep neural network policy.

Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it. In this work, we introduce a novel generative modeling framework grounded in phase space dynamics, where a phase space is defined as {an augmented space encompassing both position and velocity.} Leveraging insights from Stochastic Optimal Control, we construct a path measure in the phase space that enables efficient sampling. {In contrast to DMs, our framework demonstrates the capability to generate realistic data points at an early stage of dynamics propagation.} This early prediction sets the stage for efficient data generation by leveraging additional velocity information along the trajectory. On standard image generation benchmarks, our model yields favorable performance over baselines in the regime of small Number of Function Evaluations (NFEs). Furthermore, our approach rivals the performance of diffusion models equipped with efficient sampling techniques, underscoring its potential as a new tool generative modeling.

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

Deep neural networks (DNN) have shown great capacity of modeling a dynamical system; nevertheless, they usually do not obey physics constraints such as conservation laws. This paper proposes a new learning framework named ConCerNet to improve the trustworthiness of the DNN based dynamics modeling to endow the invariant properties. ConCerNet consists of two steps: (i) a contrastive learning method to automatically capture the system invariants (i.e. conservation properties) along the trajectory observations; (ii) a neural projection layer to guarantee that the learned dynamics models preserve the learned invariants. We theoretically prove the functional relationship between the learned latent representation and the unknown system invariant function. Experiments show that our method consistently outperforms the baseline neural networks in both coordinate error and conservation metrics by a large margin. With neural network based parameterization and no dependence on prior knowledge, our method can be extended to complex and large-scale dynamics by leveraging an autoencoder.

Biological tissues exhibit complex behaviors with their dynamics often resembling inert soft matter such as liquids, polymers, colloids, and liquid crystals. These analogies enable physics-based approaches for investigations of emergent behaviors in biological processes. A well-studied case is the spreading of cellular aggregates on solid surfaces, where they display dynamics similar to viscous droplets. In vivo, however, cells and tissues are in a confined environment with varying geometries and mechanical properties to which they need to adapt. In this work, we compressed cellular aggregates between two solid surfaces and studied their dynamics using microscopy, and computer simulations. The confined cellular aggregates transitioned from compressed spheres into dynamic living capillary bridges exhibiting bridge thinning and a convex-to-concave meniscus curvature transition. We found that the stability of the bridge is determined by the interplay between cell growth and cell spreading on the confining surfaces. This interaction leads to bridge rupture at a critical length scale determined by the distance between the plates. The force distributions, formation and stability regimes of the living capillary bridges were characterized with full 3D computer simulations that included cell division, migration and growth dynamics, directly showing how mechanical principles govern the behavior of the living bridges; cellular aggregates display jamming and stiffening analogously to granular matter, and cell division along the long axis enhances thinning. Based on our results, we propose a new class of active soft matter behavior, where cellular aggregates exhibit liquid-like adaptation to confinement, but with self-organized rupturing driven by biological activity.

Modeling the dynamics of deformable objects is challenging due to their diverse physical properties and the difficulty of estimating states from limited visual information. We address these challenges with a neural dynamics framework that combines object particles and spatial grids in a hybrid representation. Our particle-grid model captures global shape and motion information while predicting dense particle movements, enabling the modeling of objects with varied shapes and materials. Particles represent object shapes, while the spatial grid discretizes the 3D space to ensure spatial continuity and enhance learning efficiency. Coupled with Gaussian Splattings for visual rendering, our framework achieves a fully learning-based digital twin of deformable objects and generates 3D action-conditioned videos. Through experiments, we demonstrate that our model learns the dynamics of diverse objects -- such as ropes, cloths, stuffed animals, and paper bags -- from sparse-view RGB-D recordings of robot-object interactions, while also generalizing at the category level to unseen instances. Our approach outperforms state-of-the-art learning-based and physics-based simulators, particularly in scenarios with limited camera views. Furthermore, we showcase the utility of our learned models in model-based planning, enabling goal-conditioned object manipulation across a range of tasks. The project page is available at https://kywind.github.io/pgnd .

Deploying large, complex policies in the real world requires the ability to steer them to fit the needs of a situation. Most common steering approaches, like goal-conditioning, require training the robot policy with a distribution of test-time objectives in mind. To overcome this limitation, we present DynaGuide, a steering method for diffusion policies using guidance from an external dynamics model during the diffusion denoising process. DynaGuide separates the dynamics model from the base policy, which gives it multiple advantages, including the ability to steer towards multiple objectives, enhance underrepresented base policy behaviors, and maintain robustness on low-quality objectives. The separate guidance signal also allows DynaGuide to work with off-the-shelf pretrained diffusion policies. We demonstrate the performance and features of DynaGuide against other steering approaches in a series of simulated and real experiments, showing an average steering success of 70% on a set of articulated CALVIN tasks and outperforming goal-conditioning by 5.4x when steered with low-quality objectives. We also successfully steer an off-the-shelf real robot policy to express preference for particular objects and even create novel behavior. Videos and more can be found on the project website: https://dynaguide.github.io

Finetuning large language models (LLMs) enables user-specific customization but introduces critical safety risks: even a few harmful examples can compromise safety alignment. A common mitigation strategy is to update the model more strongly on examples deemed safe, while downweighting or excluding those flagged as unsafe. However, because safety context can shift within a single example, updating the model equally on both harmful and harmless parts of a response is suboptimal-a coarse treatment we term static safety shaping. In contrast, we propose dynamic safety shaping (DSS), a framework that uses fine-grained safety signals to reinforce learning from safe segments of a response while suppressing unsafe content. To enable such fine-grained control during finetuning, we introduce a key insight: guardrail models, traditionally used for filtering, can be repurposed to evaluate partial responses, tracking how safety risk evolves throughout the response, segment by segment. This leads to the Safety Trajectory Assessment of Response (STAR), a token-level signal that enables shaping to operate dynamically over the training sequence. Building on this, we present STAR-DSS, guided by STAR scores, that robustly mitigates finetuning risks and delivers substantial safety improvements across diverse threats, datasets, and model families-all without compromising capability on intended tasks. We encourage future safety research to build on dynamic shaping principles for stronger mitigation against evolving finetuning risks.