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Nov 10

POSIM: A Multi-Agent Simulation Framework for Social Media Public Opinion Evolution and Governance

Modeling social media public opinion evolution is essential for governance decision-making. Traditional epidemic models and rule-based agent-based models (ABMs) fail to capture the cognitive processes and adaptive behaviors of real users. Recent large language model (LLM)-based social simulations can reproduce group-level phenomena like polarization and conformity, yet remain unable to recreate the irrational interactions and multi-phase dynamics of real public opinion events. We present POSIM (Public Opinion Simulator), a multi-agent simulation framework for social media public opinion evolution and governance. POSIM integrates LLM-driven agents with a Belief--Desire--Intention (BDI) cognitive architecture that accounts for irrational factors, places them in a virtual social media environment with social networks and recommendation mechanisms, and drives temporal dynamics through a Hawkes point process engine that captures the co-evolution of agents and the environment across event phases. To validate the framework, we collect real-world public opinion datasets from the Weibo platform covering the full interaction chain of users. Experiments show that POSIM successfully reproduces key characteristics of public opinion evolution from individual mechanisms to collective phenomena, and its effectiveness is further supported by multiple statistical metrics. Building on POSIM, governance-oriented guidance and intervention experiments uncover a counterintuitive empathy paradox: empathetic guidance deepens negative sentiment instead of easing it under certain conditions, offering new insights for governance strategy design. These results demonstrate that the proposed framework can fully serve as a computational experimentation platform for proactive strategy evaluation and evidence-based governance. All source code is available at https://github.com/DeepCogLab/posim/.

  • 8 authors
·
Mar 24

Towards a Physics Foundation Model

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.

  • 3 authors
·
Sep 17, 2025 2

Trajectory-Consistent Flow Matching for Robust Visuomotor Policy Learning

Flow matching policies learn continuous velocity fields that transport noise to actions, enabling fast deterministic inference for robot manipulation. However, standard training optimizes a pointwise velocity objective while inference requires numerical integration of that field -- a mismatch that causes compounding trajectory errors. We propose four complementary remedies: (1) auxiliary rectified flow velocity regression that provides uniform temporal supervision across the full time interval; (2) multi-step trajectory consistency training that supervises the integrated displacement of the velocity field over trajectory segments, directly closing the train-inference gap; (3) velocity field regularization that enforces temporal smoothness, preventing oscillations that destabilize integration; and (4) fourth-order Runge-Kutta (RK4) inference that reduces global discretization error by orders of magnitude over Euler methods. Critically, these components are not independently sufficient -- RK4 without a smooth velocity field fails, and smoothness without trajectory-level supervision still drifts, as our ablation study confirms. We further pair these with a dual-view 3D point cloud encoder using two independent PointNet encoders for complementary spatial perception. On four real-robot tasks across a Franka arm and a Boston Dynamics Spot, our method achieves 70% and 60% overall success on two long-horizon multi-phase tasks where both baselines score 0%, and reaches 100% on precision tool placement. Three MetaWorld simulation tasks confirm consistent improvements, validating that trajectory-level supervision is essential for reliable policy execution.

  • 5 authors
·
May 7

Improving Long-Range Interactions in Graph Neural Simulators via Hamiltonian Dynamics

Learning to simulate complex physical systems from data has emerged as a promising way to overcome the limitations of traditional numerical solvers, which often require prohibitive computational costs for high-fidelity solutions. Recent Graph Neural Simulators (GNSs) accelerate simulations by learning dynamics on graph-structured data, yet often struggle to capture long-range interactions and suffer from error accumulation under autoregressive rollouts. To address these challenges, we propose Information-preserving Graph Neural Simulators (IGNS), a graph-based neural simulator built on the principles of Hamiltonian dynamics. This structure guarantees preservation of information across the graph, while extending to port-Hamiltonian systems allows the model to capture a broader class of dynamics, including non-conservative effects. IGNS further incorporates a warmup phase to initialize global context, geometric encoding to handle irregular meshes, and a multi-step training objective that facilitates PDE matching, where the trajectory produced by integrating the port-Hamiltonian core aligns with the ground-truth trajectory, thereby reducing rollout error. To evaluate these properties systematically, we introduce new benchmarks that target long-range dependencies and challenging external forcing scenarios. Across all tasks, IGNS consistently outperforms state-of-the-art GNSs, achieving higher accuracy and stability under challenging and complex dynamical systems. Our project page: https://thobotics.github.io/neural_pde_matching.

  • 7 authors
·
Nov 11, 2025

Understanding the Physics of Key-Value Cache Compression for LLMs through Attention Dynamics

As context windows in LLMs scale to 100K+ tokens, the key-value (KV) cache becomes the dominant memory bottleneck, with recent methods claiming 80-90% savings and minimal benchmark degradation. We argue these evaluations miss a structural issue: attention is not just storage but routing, and retaining KV pairs does not guarantee semantic accessibility. We propose a physics-inspired view of KV compression as a controlled perturbation of token-level routing, distinguishing retention, accessibility, and utilization. Using synthetic tasks probing multi-entity tracking, disambiguation, coreference, and multi-hop reasoning, we find that moderate compression degrades internal representations with little accuracy loss, revealing redundancy; all models exhibit a sharp hallucination safety cliff near 90% compression, correlated with spikes in Global Eviction Ratio (GER), suggesting a phase transition in semantic reachability; and architectures differ in routing dynamics, with LLaMA showing early consensus and late diversification, and Qwen showing funnel-like late convergence, leading to distinct resilience profiles. Beyond erasure, we identify representational rigidity, where excessive head-level consensus collapses routing flexibility despite token survival. These results suggest sparse token-route structures govern compression tolerance, reframing KV compression as a structural probe of attention geometry and linking long-context scalability to sparsity and the lottery ticket hypothesis in self-attention.

  • 3 authors
·
Mar 1

Paths-over-Graph: Knowledge Graph Empowered Large Language Model Reasoning

Large Language Models (LLMs) have achieved impressive results in various tasks but struggle with hallucination problems and lack of relevant knowledge, especially in deep complex reasoning and knowledge-intensive tasks. Knowledge Graphs (KGs), which capture vast amounts of facts in a structured format, offer a reliable source of knowledge for reasoning. However, existing KG-based LLM reasoning methods face challenges like handling multi-hop reasoning, multi-entity questions, and effectively utilizing graph structures. To address these issues, we propose Paths-over-Graph (PoG), a novel method that enhances LLM reasoning by integrating knowledge reasoning paths from KGs, improving the interpretability and faithfulness of LLM outputs. PoG tackles multi-hop and multi-entity questions through a three-phase dynamic multi-hop path exploration, which combines the inherent knowledge of LLMs with factual knowledge from KGs. In order to improve the efficiency, PoG prunes irrelevant information from the graph exploration first and introduces efficient three-step pruning techniques that incorporate graph structures, LLM prompting, and a pre-trained language model (e.g., SBERT) to effectively narrow down the explored candidate paths. This ensures all reasoning paths contain highly relevant information captured from KGs, making the reasoning faithful and interpretable in problem-solving. PoG innovatively utilizes graph structure to prune the irrelevant noise and represents the first method to implement multi-entity deep path detection on KGs for LLM reasoning tasks. Comprehensive experiments on five benchmark KGQA datasets demonstrate PoG outperforms the state-of-the-art method ToG across GPT-3.5-Turbo and GPT-4, achieving an average accuracy improvement of 18.9%. Notably, PoG with GPT-3.5-Turbo surpasses ToG with GPT-4 by up to 23.9%.

  • 6 authors
·
Oct 18, 2024

Meta-Task: Turning Terminal Task Synthesis into a Terminal Task for Scalable Agent Training

Training terminal agents at scale requires diverse, verifiable terminal tasks and high-quality interaction trajectories, yet acquiring such data remains a significant challenge. Existing synthesis methods face two key limitations: (1) weak reliability caused by the disconnect between task generation and real execution, and (2) limited diversity and scalability due to dependence on existing repositories. We propose Meta-Task, a framework that redefines terminal task synthesis as a Terminal-Bench-format task itself: an agent operates within a real container environment to iteratively generate, execute, and verify tasks, so that synthesized components are checked for internal consistency and executability within the generation loop itself. Building upon this, we decouple the target task requirements along multiple dimensions, introduce a multi-phase mechanism that dynamically designs novel task specifications before producing the actual tasks, and incorporate optional external material support to enhance diversity and realism. We additionally apply LLM-as-Judge filtering to ensure the quality of the final training data. Experiments on Terminal-Bench 2.0 show that fine-tuning on only 3,221 Meta-Task synthesized trajectories achieves 22.5% and 31.8% Avg Pass@1 for Qwen3-14B and Qwen3-32B respectively, outperforming concurrent approaches with significantly less training data.

  • 8 authors
·
Jul 29

M$^3$-VOS: Multi-Phase, Multi-Transition, and Multi-Scenery Video Object Segmentation

Intelligent robots need to interact with diverse objects across various environments. The appearance and state of objects frequently undergo complex transformations depending on the object properties, e.g., phase transitions. However, in the vision community, segmenting dynamic objects with phase transitions is overlooked. In light of this, we introduce the concept of phase in segmentation, which categorizes real-world objects based on their visual characteristics and potential morphological and appearance changes. Then, we present a new benchmark, Multi-Phase, Multi-Transition, and Multi-Scenery Video Object Segmentation (M^3-VOS), to verify the ability of models to understand object phases, which consists of 479 high-resolution videos spanning over 10 distinct everyday scenarios. It provides dense instance mask annotations that capture both object phases and their transitions. We evaluate state-of-the-art methods on M^3-VOS, yielding several key insights. Notably, current appearance-based approaches show significant room for improvement when handling objects with phase transitions. The inherent changes in disorder suggest that the predictive performance of the forward entropy-increasing process can be improved through a reverse entropy-reducing process. These findings lead us to propose ReVOS, a new plug-andplay model that improves its performance by reversal refinement. Our data and code will be publicly available at https://zixuan-chen.github.io/M-cube-VOS.github.io/.

  • 7 authors
·
Dec 18, 2024

Robust automatic brain vessel segmentation in 3D CTA scans using dynamic 4D-CTA data

In this study, we develop a novel methodology for annotating the brain vasculature using dynamic 4D-CTA head scans. By using multiple time points from dynamic CTA acquisitions, we subtract bone and soft tissue to enhance the visualization of arteries and veins, reducing the effort required to obtain manual annotations of brain vessels. We then train deep learning models on our ground truth annotations by using the same segmentation for multiple phases from the dynamic 4D-CTA collection, effectively enlarging our dataset by 4 to 5 times and inducing robustness to contrast phases. In total, our dataset comprises 110 training images from 25 patients and 165 test images from 14 patients. In comparison with two similarly-sized datasets for CTA-based brain vessel segmentation, a nnUNet model trained on our dataset can achieve significantly better segmentations across all vascular regions, with an average mDC of 0.846 for arteries and 0.957 for veins in the TopBrain dataset. Furthermore, metrics such as average directed Hausdorff distance (adHD) and topology sensitivity (tSens) reflected similar trends: using our dataset resulted in low error margins (adHD of 0.304 mm for arteries and 0.078 for veins) and high sensitivity (tSens of 0.877 for arteries and 0.974 for veins), indicating excellent accuracy in capturing vessel morphology. Our code and model weights are available online at https://github.com/alceballosa/robust-vessel-segmentation

  • 7 authors
·
Jan 30

EchoMimicV3: 1.3B Parameters are All You Need for Unified Multi-Modal and Multi-Task Human Animation

Recent work on human animation usually incorporates large-scale video models, thereby achieving more vivid performance. However, the practical use of such methods is hindered by the slow inference speed and high computational demands. Moreover, traditional work typically employs separate models for each animation task, increasing costs in multi-task scenarios and worsening the dilemma. To address these limitations, we introduce EchoMimicV3, an efficient framework that unifies multi-task and multi-modal human animation. At the core of EchoMimicV3 lies a threefold design: a Soup-of-Tasks paradigm, a Soup-of-Modals paradigm, and a novel training and inference strategy. The Soup-of-Tasks leverages multi-task mask inputs and a counter-intuitive task allocation strategy to achieve multi-task gains without multi-model pains. Meanwhile, the Soup-of-Modals introduces a Coupled-Decoupled Multi-Modal Cross Attention module to inject multi-modal conditions, complemented by a Multi-Modal Timestep Phase-aware Dynamical Allocation mechanism to modulate multi-modal mixtures. Besides, we propose Negative Direct Preference Optimization, Phase-aware Negative Classifier-Free Guidance (CFG), and Long Video CFG, which ensure stable training and inference. Extensive experiments and analyses demonstrate that EchoMimicV3, with a minimal model size of 1.3 billion parameters, achieves competitive performance in both quantitative and qualitative evaluations. We are committed to open-sourcing our code for community use.

  • 6 authors
·
Jul 5, 2025

Autonomous Deep Agent

This technical brief introduces Deep Agent, an advanced autonomous AI system designed to manage complex multi-phase tasks through a novel hierarchical task management architecture. The system's foundation is built on our Hierarchical Task DAG (HTDAG) framework, which dynamically decomposes high-level objectives into manageable sub-tasks while rigorously maintaining dependencies and execution coherence. Deep Agent advances beyond traditional agent systems through three key innovations: First, it implements a recursive two-stage planner-executor architecture that enables continuous task refinement and adaptation as circumstances change. Second, it features an Autonomous API & Tool Creation (AATC) system that automatically generates reusable components from UI interactions, substantially reducing operational costs for similar tasks. Third, it incorporates Prompt Tweaking Engine and Autonomous Prompt Feedback Learning components that optimize Large Language Model prompts for specific scenarios, enhancing both inference accuracy and operational stability. These components are integrated to form a service infrastructure that manages user contexts, handles complex task dependencies, and orchestrates end-to-end agentic workflow execution. Through this sophisticated architecture, Deep Agent establishes a novel paradigm in self-governing AI systems, demonstrating robust capability to independently handle intricate, multi-step tasks while maintaining consistent efficiency and reliability through continuous self-optimization.

  • 5 authors
·
Feb 10, 2025

LoopServe: An Adaptive Dual-phase LLM Inference Acceleration System for Multi-Turn Dialogues

Multi-turn dialogues are essential in many real-world applications of large language models, such as chatbots and virtual assistants. As conversation histories become longer, existing large language models face increasing computational and memory challenges, which hinder their ability to provide efficient and responsive interactions. Most current acceleration methods either compress the context or optimize key value caching, but they often rely on fixed or position-based heuristics that do not adapt well to the dynamic and unpredictable patterns found in actual multi-turn conversations. In this paper, we present LoopServe, an adaptive dual-phase inference acceleration framework for large language models in multi-turn dialogues. LoopServe introduces two main innovations. First, it performs online sparsification during the prefilling phase by dynamically selecting the most important parts of the attention matrix for each new input. Second, it uses progressive key value compression during decoding by adaptively maintaining a relevant and efficient cache based on the most recently generated output tokens. We also propose a https://huggingface.co/datasets/TreeAILab/Multi-turn_Long-context_Benchmark_for_LLMs{new benchmark} with eleven multi-turn datasets that reflect realistic query positions and conversational dependencies. Extensive experiments demonstrate that LoopServe consistently achieves superior effectiveness compared to existing baselines and significantly accelerates LLM inference across a wide range of long-context dialogue tasks.

  • 12 authors
·
Jul 18, 2025

ProJudge: A Multi-Modal Multi-Discipline Benchmark and Instruction-Tuning Dataset for MLLM-based Process Judges

As multi-modal large language models (MLLMs) frequently exhibit errors when solving scientific problems, evaluating the validity of their reasoning processes is critical for ensuring reliability and uncovering fine-grained model weaknesses. Since human evaluation is laborious and costly, prompting MLLMs as automated process judges has become a common practice. However, the reliability of these model-based judges remains uncertain. To address this, we introduce ProJudgeBench, the first comprehensive benchmark specifically designed for evaluating abilities of MLLM-based process judges. ProJudgeBench comprises 2,400 test cases and 50,118 step-level labels, spanning four scientific disciplines with diverse difficulty levels and multi-modal content. In ProJudgeBench, each step is meticulously annotated by human experts for correctness, error type, and explanation, enabling a systematic evaluation of judges' capabilities to detect, classify and diagnose errors. Evaluation on ProJudgeBench reveals a significant performance gap between open-source and proprietary models. To bridge this gap, we further propose ProJudge-173k, a large-scale instruction-tuning dataset, and a Dynamic Dual-Phase fine-tuning strategy that encourages models to explicitly reason through problem-solving before assessing solutions. Both contributions significantly enhance the process evaluation capabilities of open-source models. All the resources will be released to foster future research of reliable multi-modal process evaluation.

  • 11 authors
·
Mar 9, 2025 2

Three Phases of Expert Routing: How Load Balance Evolves During Mixture-of-Experts Training

We model Mixture-of-Experts (MoE) token routing as a congestion game with a single effective parameter, the congestion coefficient gamma_eff, that quantifies the balance-quality tradeoff. Tracking gamma_eff across training checkpoints of two open-source MoE models, OLMoE-1B-7B (20 checkpoints, with dense sampling in the surge region) and OpenMoE-8B (6 checkpoints), reveals a three-phase trajectory: a surge phase where the router learns to balance load (gamma_eff: 14 to 36-39, peaking in the step 30K-40K region), a stabilization phase where experts specialize under steady balance (B_0: 2.4 to 2.3, steps 100K-400K), and a relaxation phase where the router trades balance for quality as experts differentiate (gamma_eff: 27 to 9, steps 400K-1.2M). This non-monotone trajectory, invisible to post-hoc analysis of converged models, reveals that early MoE training prioritizes balance while late training prioritizes quality. The theoretical framework is honest about its limits: the single-type equilibrium reduces to temperature-scaled softmax (held-out L1: MFG = 0.199 vs. softmax = 0.200). The game is not a better predictor; it reveals what the temperature means and, critically, how that temperature evolves. We complement the dynamics with an effective congestion decomposition, a multi-type extension that improves load prediction via token clustering on all 16 layers (mean: 30%), scope diagnostics (K/M, epsilon_l), and robustness verification across four independent quality estimators (r >= 0.89). All confidence intervals are from bootstrap resampling over 50 independent text batches.

  • 1 authors
·
Apr 4

AlignGPT: Multi-modal Large Language Models with Adaptive Alignment Capability

Multimodal Large Language Models (MLLMs) are widely regarded as crucial in the exploration of Artificial General Intelligence (AGI). The core of MLLMs lies in their capability to achieve cross-modal alignment. To attain this goal, current MLLMs typically follow a two-phase training paradigm: the pre-training phase and the instruction-tuning phase. Despite their success, there are shortcomings in the modeling of alignment capabilities within these models. Firstly, during the pre-training phase, the model usually assumes that all image-text pairs are uniformly aligned, but in fact the degree of alignment between different image-text pairs is inconsistent. Secondly, the instructions currently used for finetuning incorporate a variety of tasks, different tasks's instructions usually require different levels of alignment capabilities, but previous MLLMs overlook these differentiated alignment needs. To tackle these issues, we propose a new multimodal large language model AlignGPT. In the pre-training stage, instead of treating all image-text pairs equally, we assign different levels of alignment capabilities to different image-text pairs. Then, in the instruction-tuning phase, we adaptively combine these different levels of alignment capabilities to meet the dynamic alignment needs of different instructions. Extensive experimental results show that our model achieves competitive performance on 12 benchmarks.

  • 7 authors
·
May 22, 2024

CaPo: Cooperative Plan Optimization for Efficient Embodied Multi-Agent Cooperation

In this work, we address the cooperation problem among large language model (LLM) based embodied agents, where agents must cooperate to achieve a common goal. Previous methods often execute actions extemporaneously and incoherently, without long-term strategic and cooperative planning, leading to redundant steps, failures, and even serious repercussions in complex tasks like search-and-rescue missions where discussion and cooperative plan are crucial. To solve this issue, we propose Cooperative Plan Optimization (CaPo) to enhance the cooperation efficiency of LLM-based embodied agents. Inspired by human cooperation schemes, CaPo improves cooperation efficiency with two phases: 1) meta-plan generation, and 2) progress-adaptive meta-plan and execution. In the first phase, all agents analyze the task, discuss, and cooperatively create a meta-plan that decomposes the task into subtasks with detailed steps, ensuring a long-term strategic and coherent plan for efficient coordination. In the second phase, agents execute tasks according to the meta-plan and dynamically adjust it based on their latest progress (e.g., discovering a target object) through multi-turn discussions. This progress-based adaptation eliminates redundant actions, improving the overall cooperation efficiency of agents. Experimental results on the ThreeDworld Multi-Agent Transport and Communicative Watch-And-Help tasks demonstrate that CaPo achieves much higher task completion rate and efficiency compared with state-of-the-arts.The code is released at https://github.com/jliu4ai/CaPo.

  • 7 authors
·
Nov 7, 2024

Agentic Neural Networks: Self-Evolving Multi-Agent Systems via Textual Backpropagation

Leveraging multiple Large Language Models(LLMs) has proven effective for addressing complex, high-dimensional tasks, but current approaches often rely on static, manually engineered multi-agent configurations. To overcome these constraints, we present the Agentic Neural Network(ANN), a framework that conceptualizes multi-agent collaboration as a layered neural network architecture. In this design, each agent operates as a node, and each layer forms a cooperative "team" focused on a specific subtask. Agentic Neural Network follows a two-phase optimization strategy: (1) Forward Phase-Drawing inspiration from neural network forward passes, tasks are dynamically decomposed into subtasks, and cooperative agent teams with suitable aggregation methods are constructed layer by layer. (2) Backward Phase-Mirroring backpropagation, we refine both global and local collaboration through iterative feedback, allowing agents to self-evolve their roles, prompts, and coordination. This neuro-symbolic approach enables ANN to create new or specialized agent teams post-training, delivering notable gains in accuracy and adaptability. Across four benchmark datasets, ANN surpasses leading multi-agent baselines under the same configurations, showing consistent performance improvements. Our findings indicate that ANN provides a scalable, data-driven framework for multi-agent systems, combining the collaborative capabilities of LLMs with the efficiency and flexibility of neural network principles. We plan to open-source the entire framework.

  • 5 authors
·
Jun 10, 2025

Bifurcations and Competing Coherent Structures in the Cubic-Quintic Ginzburg-Landau Equation I: Plane Wave (CW) Solutions

Singularity Theory is used to comprehensively investigate the bifurcations of the steady-states of the traveling wave ODEs of the cubic-quintic Ginzburg-Landau equation (CGLE). These correspond to plane waves of the PDE. In addition to the most general situation, we also derive the degeneracy conditions on the eight coefficients of the CGLE under which the equation for the steady states assumes each of the possible quartic (the quartic fold and an unnamed form), cubic (the pitchfork and the winged cusp), and quadratic (four possible cases) normal forms for singularities of codimension up to three. Since the actual governing equations are employed, all results are globally valid, and not just of local applicability. In each case, the recognition problem for the unfolded singularity is treated. The transition varieties, i.e. the hysteresis, isola, and double limit curves are presented for each normal form. For both the most general case, as well as for various combinations of coefficients relevant to the particular cases, the bifurcations curves are mapped out in the various regions of parameter space delimited by these varieties. The multiplicities and interactions of the plane wave solutions are then comprehensively deduced from the bifurcation plots in each regime, and include features such as regimes of hysteresis among co-existing states, domains featuring more than one interval of hysteresis, and isola behavior featuring dynamics unrelated to the primary solution branch in limited ranges of parameter space.

  • 2 authors
·
Dec 18, 2012

Steady-State Phase Transition States and Large-Time Asymptotics for the Cauchy Problem of Compressible Navier-Stokes Equations with van der Waals Equation of State

We study the Cauchy problem for the one-dimensional isothermal compressible Navier--Stokes system with the van der Waals equation of state, and analyze the well-posedness and asymptotic stability of steady-state phase-transition solutions at subcritical temperatures. Working in Lagrangian coordinates, we use variational techniques to construct piecewise smooth steady-state solutions corresponding to two-phase equilibrium states under finite-mass perturbations. Introducing artificial-viscosity regularization, we first establish existence of the global minimizer of the regularized variational problem, unique within each fixed symmetry class; passing to the vanishing artificial-viscosity limit then yields a physically admissible steady-state solution with two phase interfaces. For initial perturbations that are small with respect to energy, piecewise-gradient, total-variation, and integral norms but may exhibit large pointwise jumps across phase boundaries, we derive uniform a priori bounds for weak solutions near the two-phase equilibrium profile. We further prove that these global weak solutions converge to the steady-state two-phase equilibrium in L^infty(R) as ttoinfty, thereby characterizing their large-time asymptotic behavior. Physically, finite mass perturbations break the uniqueness of the uniform steady state and generate infinitely many piecewise constant two-phase equilibria satisfying the Maxwell equal-area rule. Artificial viscosity acts as a selection principle that singles out the physically relevant two-interface steady-state configuration, and this two-phase equilibrium is asymptotically stable under small integral perturbations that allow large-amplitude discontinuities at phase interfaces.

  • 4 authors
·
Oct 4

Diffusion limits of cyclic finite-velocity random motions along vector fields

We investigate diffusion approximations for a class of multivariate inhomogeneous finite-velocity random motions motivated by models of active particles. A particle alternates cyclically among prescribed velocity fields V_1,dots,V_p with random run times and evolves according to either a flight dynamics, consisting of piecewise-linear motion, or a gliding dynamics, in which the particle follows the corresponding velocity flow. Under a Kac-type scaling that couples vanishing run times with diverging particle speed, we prove weak convergence of both processes to multidimensional diffusions. It turns out that the order of successive cyclic motions affects the diffusion limit. In addition to the second-order term generated by fluctuations of the random run times, the limiting drift contains directional derivatives DV_i[V_j] of the underlying vector fields. In Stratonovich form, part of this drift is expressed through their Lie brackets [V_i,V_j]. Thus, the generic non-commutativity of the microscopic motions survives the diffusive scaling and generates a macroscopic drift which depends on the cyclic order. The limiting drift also distinguishes the flight and gliding dynamics, despite their being driven by the same vector fields and run times. Several examples, including run-and-reverse motion and cyclic dynamics generated by multiple vector fields, illustrate how the cyclic switching protocol and the geometry of the underlying velocity fields shape the limiting diffusions.

  • 3 authors
·
Aug 30 1

Scalar field theory for (chiral) active Brownian particles: bottom-up derivation revisited

The active Brownian particle (ABP) model is one of the most widely used particle-based models in studies of scalar active fluids. A collection of interacting ABPs is known to exhibit intriguing phenomena that are absent in equilibrium counterparts. A prominent example is spontaneous phase separation, known as motility-induced phase separation (MIPS), which occurs even in the absence of explicit attractive interactions. In parallel, the large-scale behavior of scalar active fluids is often modeled using continuum descriptions, namely, scalar field theories. Such scalar active field theories are usually formulated in a top-down manner, and establishing their connections to particle-based models remains challenging, with these connections not yet fully understood. To advance the microscopic derivation of scalar active field theories, we revisit the connection between ABPs interacting via a two-body potential in two dimensions and scalar field theories that include all possible terms up to fourth order in spatial gradients. Our approach is based on a pressure expansion and the renormalization group (RG) method in the context of singular perturbation theory. The RG method provides a systematic way to eliminate fast variables and identify the dynamics on the slow invariant manifold. Within this framework, scalar field theories can be obtained as RG flow equations. We also apply this method to a chiral variant of the ABP model, the chiral ABP (cABP) model, in which a constant torque biases particle rotation to the left or right. We show that the scalar field theory corresponding to the cABP model contains two ``odd'' terms in addition to those present in the scalar field theory for ABPs. The method developed here may also be useful for deriving hydrodynamic descriptions of other types of active matter systems.

  • 2 authors
·
Sep 30

Multiphysics Bench: Benchmarking and Investigating Scientific Machine Learning for Multiphysics PDEs

Solving partial differential equations (PDEs) with machine learning has recently attracted great attention, as PDEs are fundamental tools for modeling real-world systems that range from fundamental physical science to advanced engineering disciplines. Most real-world physical systems across various disciplines are actually involved in multiple coupled physical fields rather than a single field. However, previous machine learning studies mainly focused on solving single-field problems, but overlooked the importance and characteristics of multiphysics problems in real world. Multiphysics PDEs typically entail multiple strongly coupled variables, thereby introducing additional complexity and challenges, such as inter-field coupling. Both benchmarking and solving multiphysics problems with machine learning remain largely unexamined. To identify and address the emerging challenges in multiphysics problems, we mainly made three contributions in this work. First, we collect the first general multiphysics dataset, the Multiphysics Bench, that focuses on multiphysics PDE solving with machine learning. Multiphysics Bench is also the most comprehensive PDE dataset to date, featuring the broadest range of coupling types, the greatest diversity of PDE formulations, and the largest dataset scale. Second, we conduct the first systematic investigation on multiple representative learning-based PDE solvers, such as PINNs, FNO, DeepONet, and DiffusionPDE solvers, on multiphysics problems. Unfortunately, naively applying these existing solvers usually show very poor performance for solving multiphysics. Third, through extensive experiments and discussions, we report multiple insights and a bag of useful tricks for solving multiphysics with machine learning, motivating future directions in the study and simulation of complex, coupled physical systems.

  • 5 authors
·
May 23, 2025

Dynamical phase diagram of synchronization in one dimension: universal behavior from Edwards-Wilkinson to random deposition through Kardar-Parisi-Zhang

Synchronization in one dimension displays generic scale invariance with universal properties previously observed in surface kinetic roughening and the wider context of the Kardar-Parisi-Zhang (KPZ) universality class. This has been established for phase oscillators and also for some limit-cycle oscillators, both in the presence of columnar (quenched) disorder and of time-dependent noise, by extensive numerical simulations, and has been analytically motivated by continuum approximations in the strong oscillator coupling limit. The robustness and the precise boundaries in parameter space for such critical behavior remain unclear, however, which may preclude further developments, including the extension of these results to higher dimensions and the experimental observation of nonequilibrium criticality in synchronizing (e.g.~electronic or chemical) oscillators. We here present complete numerical phase diagrams of one-dimensional synchronization, including saturation times and values, but, most importantly, also dynamical features giving insight into the gradual emergence of synchronous dynamics, based on systems of phase oscillators with either type of randomness. In the absence of synchronization, the dynamics evolves as expected for random deposition (for time-dependent noise) or linear growth (for columnar disorder), while a crossover from Edwards-Wilkinson to Kardar-Parisi-Zhang behavior (with the corresponding type of randomness) is observed as the randomness strength, or the nonoddity of the coupling among oscillators, is increased in the synchronous region -- their combined effect being partially captured by the so-called KPZ coupling. The distortion of scaling due to phase slips near the desynchronization boundary, a feature that is likely to play a role in experimental contexts, is also discussed.

  • 2 authors
·
Apr 6

Body-Reservoir Governance in Repeated Games: Embodied Decision-Making, Dynamic Sentinel Adaptation, and Complexity-Regularized Optimization

Standard game theory explains cooperation in repeated games through conditional strategies such as Tit-for-Tat (TfT), but these require continuous computation that imposes physical costs on embodied agents. We propose a three-layer Body-Reservoir Governance (BRG) architecture: (1) a body reservoir (echo state network) whose d-dimensional state performs implicit inference over interaction history, serving as both decision-maker and anomaly detector, (2) a cognitive filter providing costly strategic tools activated on demand, and (3) a metacognitive governance layer with receptivity parameter αin [0,1]. At full body governance (α=1), closed-loop dynamics satisfy a self-consistency equation: cooperation is expressed as the reservoir's fixed point, not computed. Strategy complexity cost is defined as the KL divergence between the reservoir's state distribution and its habituated baseline. Body governance reduces this cost, with action variance decreasing up to 1600times with dimension d. A dynamic sentinel generates a composite discomfort signal from the reservoir's own state, driving adaptive α(t): near baseline during cooperation, rapidly dropping upon defection to activate cognitive retaliation. Overriding the body incurs thermodynamic cost proportional to internal state distortion. The sentinel achieves the highest payoff across all conditions, outperforming static body governance, TfT, and EMA baselines. A dimension sweep (d in {5,ldots,100}) shows implicit inference scales with bodily richness (23times to 1600times variance reduction), attributable to reservoir dynamics. A phase diagram in (d, τ_{env}) space reveals governance regime transitions near d approx 20. The framework reinterprets cooperation as the minimum-dissipation response of an adapted dynamical system -- emergent from embodied dynamics rather than computed.

  • 1 authors
·
Feb 24

On the Mechanism and Dynamics of Modular Addition: Fourier Features, Lottery Ticket, and Grokking

We present a comprehensive analysis of how two-layer neural networks learn features to solve the modular addition task. Our work provides a full mechanistic interpretation of the learned model and a theoretical explanation of its training dynamics. While prior work has identified that individual neurons learn single-frequency Fourier features and phase alignment, it does not fully explain how these features combine into a global solution. We bridge this gap by formalizing a diversification condition that emerges during training when overparametrized, consisting of two parts: phase symmetry and frequency diversification. We prove that these properties allow the network to collectively approximate a flawed indicator function on the correct logic for the modular addition task. While individual neurons produce noisy signals, the phase symmetry enables a majority-voting scheme that cancels out noise, allowing the network to robustly identify the correct sum. Furthermore, we explain the emergence of these features under random initialization via a lottery ticket mechanism. Our gradient flow analysis proves that frequencies compete within each neuron, with the "winner" determined by its initial spectral magnitude and phase alignment. From a technical standpoint, we provide a rigorous characterization of the layer-wise phase coupling dynamics and formalize the competitive landscape using the ODE comparison lemma. Finally, we use these insights to demystify grokking, characterizing it as a three-stage process involving memorization followed by two generalization phases, driven by the competition between loss minimization and weight decay.

SineNet: Learning Temporal Dynamics in Time-Dependent Partial Differential Equations

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).

  • 7 authors
·
Mar 28, 2024

A Topological and Operator Algebraic Framework for Asynchronous Lattice Dynamical Systems

I introduce a novel mathematical framework integrating topological dynamics, operator algebras, and ergodic geometry to study lattices of asynchronous metric dynamical systems. Each node in the lattice carries an internal flow represented by a one-parameter family of operators, evolving on its own time scale. I formalize stratified state spaces capturing multiple levels of synchronized behavior, define an asynchronous evolution metric that quantifies phase-offset distances between subsystems, and characterize emergent coherent topologies arising when subsystems synchronize. Within this framework, I develop formal operators for the evolution of each subsystem and give precise conditions under which phase-aligned synchronization occurs across the lattice. The main results include: (1) the existence and uniqueness of coherent (synchronized) states under a contractive coupling condition, (2) stability of these coherent states and criteria for their emergence as a collective phase transition in a continuous operator topology, and (3) the influence of symmetries, with group-invariant coupling leading to flow-invariant synchrony subspaces and structured cluster dynamics. Proofs are given for each theorem, demonstrating full mathematical rigor. In a final section, I discuss hypothetical applications of this framework to symbolic lattice systems (e.g. subshifts), to invariant group actions on dynamical lattices, and to operator fields over stratified manifolds in the spirit of noncommutative geometry. Throughout, I write in the first person to emphasize the exploratory nature of this work. The paper avoids any reference to cosmology or observers, focusing instead on clean, formal mathematics suitable for a broad array of dynamical systems.

  • 1 authors
·
May 14, 2025

Resource supply dynamics control stability and chaos in complex ecosystems

Ecological interactions are often mediated by feedbacks between organisms and their resource environments. Yet, how resource supply dynamics dictate collective dynamical phases of an ecosystem remains unclear. Here, we analyse a generalised consumer--resource model with non-reciprocal interactions to demonstrate that self-renewing versus externally-supplied resources yield fundamentally different dynamical phase diagrams. As interactions become increasingly non-reciprocal, ecosystems relying on self-renewing resources transition from stable dynamics to chaos and ultimately to infeasibility. By contrast, ecosystems with externally-supplied resources remain stable over a broader parameter range and transition to infeasibility without experiencing an intervening chaotic phase. Using the cavity method, we derive a unified stability condition applicable to a broad class of resource supply functions, explaining why externally-supplied resources can expand the stable region. We show that stability hinges crucially on the susceptibility of resources to perturbations, which depends strongly on their supply. Further, we show that external resource supply suppresses chaos in the unstable region by drastically reducing the susceptibility of resources closest to extinction. Our findings demonstrate that resource dynamics fundamentally reshape the accessible dynamical behaviours of an ecosystem, with implications for interpreting microbial community experiments.

  • 3 authors
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Aug 30

A Model Zoo on Phase Transitions in Neural Networks

Using the weights of trained Neural Network (NN) models as data modality has recently gained traction as a research field - dubbed Weight Space Learning (WSL). Multiple recent works propose WSL methods to analyze models, evaluate methods, or synthesize weights. Weight space learning methods require populations of trained models as datasets for development and evaluation. However, existing collections of models - called `model zoos' - are unstructured or follow a rudimentary definition of diversity. In parallel, work rooted in statistical physics has identified phases and phase transitions in NN models. Models are homogeneous within the same phase but qualitatively differ from one phase to another. We combine the idea of `model zoos' with phase information to create a controlled notion of diversity in populations. We introduce 12 large-scale zoos that systematically cover known phases and vary over model architecture, size, and datasets. These datasets cover different modalities, such as computer vision, natural language processing, and scientific ML. For every model, we compute loss landscape metrics and validate full coverage of the phases. With this dataset, we provide the community with a resource with a wide range of potential applications for WSL and beyond. Evidence suggests the loss landscape phase plays a role in applications such as model training, analysis, or sparsification. We demonstrate this in an exploratory study of the downstream methods like transfer learning or model weights averaging.

  • 6 authors
·
Apr 25, 2025 2

DyMixOp: Guiding Neural Operator Design for PDEs from a Complex Dynamics Perspective with Local-Global-Mixing

A primary challenge in using neural networks to approximate nonlinear dynamical systems governed by partial differential equations (PDEs) is transforming these systems into a suitable format, especially when dealing with non-linearizable dynamics or the need for infinite-dimensional spaces for linearization. This paper introduces DyMixOp, a novel neural operator framework for PDEs that integrates insights from complex dynamical systems to address this challenge. Grounded in inertial manifold theory, DyMixOp transforms infinite-dimensional nonlinear PDE dynamics into a finite-dimensional latent space, establishing a structured foundation that maintains essential nonlinear interactions and enhances physical interpretability. A key innovation is the Local-Global-Mixing (LGM) transformation, inspired by convection dynamics in turbulence. This transformation effectively captures both fine-scale details and nonlinear interactions, while mitigating spectral bias commonly found in existing neural operators. The framework is further strengthened by a dynamics-informed architecture that connects multiple LGM layers to approximate linear and nonlinear dynamics, reflecting the temporal evolution of dynamical systems. Experimental results across diverse PDE benchmarks demonstrate that DyMixOp achieves state-of-the-art performance, significantly reducing prediction errors, particularly in convection-dominated scenarios reaching up to 86.7\%, while maintaining computational efficiency and scalability.

  • 3 authors
·
Aug 18, 2025

The elusive fluid-and-crystal coexistence state in simulations of monodisperse, hard-sphere colloids

Monodisperse, purely repulsive, hard spheres (MPRHS) are an important model system for mechanistically exploring phase behavior in atomic systems and colloids. Since the 1940s, phase transitions in these systems have been obtained via simulation, theory, and experiments. But there is a gap in this literature: despite decades of reports of phase transition from one pure state to another, no computational studies report spontaneous phase separation into coexisting domains of liquid and crystal regions. This gap owes its origin to the underlying mechanism of entropically-driven phase separation in MPRHS - the competition between short-range entropy and long-range entropy. Frenkel proposed that spontaneous phase separation in simulations of up to 1,000,000 particles would require more than 317,000,000 years to sample enough microstates to converge to phase separated macrostate. Some brute-force simulations do show brief spontaneous coexistence but a metastable crystal or fluid subsequently overtakes the system. To bypass these difficulties, many studies use seeding, gravity, or direct construction of liquid and solid phases to study interfacial energy and nucleation rates of MPRHS systems. WCA potentials have also been used to bypass metastability, where softness provides free volume, lowers osmotic pressure and the energy barrier. It is argued that the transition path taken in bypassing metastability is mechanistically the same as without triggers. But as acknowledged by Alder & Wainwright, explicit observation of spontaneous coexistence is central to computational prediction of first-order transition. Such observation would provide satisfying demonstration of Frenkel's entropy exchange mechanism. We explore literature revealing these interesting behaviors and conclude that computational demonstration of Frenkel's mechanism for MPRHS awaits large systems with careful hardness perturbations.

  • 4 authors
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Nov 2, 2025

When Network Architecture Meets Physics: Deep Operator Learning for Coupled Multiphysics

Scientific applications increasingly demand real-time surrogate models that can capture the behavior of strongly coupled multiphysics systems driven by multiple input functions, such as in thermo-mechanical and electro-thermal processes. While neural operator frameworks, such as Deep Operator Networks (DeepONets), have shown considerable success in single-physics settings, their extension to multiphysics problems remains poorly understood. In particular, the challenge of learning nonlinear interactions between tightly coupled physical fields has received little systematic attention. This study addresses a foundational question: should the architectural design of a neural operator reflect the strength of physical coupling it aims to model? To answer this, we present the first comprehensive, architecture-aware evaluation of DeepONet variants across three regimes: single-physics, weakly coupled, and strongly coupled multiphysics systems. We consider a reaction-diffusion equation with dual spatial inputs, a nonlinear thermo-electrical problem with bidirectional coupling through temperature-dependent conductivity, and a viscoplastic thermo-mechanical model of steel solidification governed by transient phase-driven interactions. Two operator-learning frameworks, the classical DeepONet and its sequential GRU-based extension, S-DeepONet, are benchmarked using both single-branch and multi-branch (MIONet-style) architectures. Our results demonstrate that architectural alignment with physical coupling is crucial: single-branch networks significantly outperform multi-branch counterparts in strongly coupled settings, whereas multi-branch encodings offer advantages for decoupled or single-physics problems. Once trained, these surrogates achieve full-field predictions up to 1.8e4 times faster than high-fidelity finite-element solvers, without compromising solution accuracy.

  • 6 authors
·
Jul 3, 2025

Almost-Linear RNNs Yield Highly Interpretable Symbolic Codes in Dynamical Systems Reconstruction

Dynamical systems (DS) theory is fundamental for many areas of science and engineering. It can provide deep insights into the behavior of systems evolving in time, as typically described by differential or recursive equations. A common approach to facilitate mathematical tractability and interpretability of DS models involves decomposing nonlinear DS into multiple linear DS separated by switching manifolds, i.e. piecewise linear (PWL) systems. PWL models are popular in engineering and a frequent choice in mathematics for analyzing the topological properties of DS. However, hand-crafting such models is tedious and only possible for very low-dimensional scenarios, while inferring them from data usually gives rise to unnecessarily complex representations with very many linear subregions. Here we introduce Almost-Linear Recurrent Neural Networks (AL-RNNs) which automatically and robustly produce most parsimonious PWL representations of DS from time series data, using as few PWL nonlinearities as possible. AL-RNNs can be efficiently trained with any SOTA algorithm for dynamical systems reconstruction (DSR), and naturally give rise to a symbolic encoding of the underlying DS that provably preserves important topological properties. We show that for the Lorenz and R\"ossler systems, AL-RNNs discover, in a purely data-driven way, the known topologically minimal PWL representations of the corresponding chaotic attractors. We further illustrate on two challenging empirical datasets that interpretable symbolic encodings of the dynamics can be achieved, tremendously facilitating mathematical and computational analysis of the underlying systems.

  • 4 authors
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Oct 18, 2024

On the Dynamics of Acceleration in First order Gradient Methods

Ever since the original algorithm by Nesterov (1983), the true nature of the acceleration phenomenon has remained elusive, with various interpretations of why the method is actually faster. The diagnosis of the algorithm through the lens of Ordinary Differential Equations (ODEs) and the corresponding dynamical system formulation to explain the underlying dynamics has a rich history. In the literature, the ODEs that explain algorithms are typically derived by considering the limiting case of the algorithm maps themselves, that is, an ODE formulation follows the development of an algorithm. This obfuscates the underlying higher order principles and thus provides little evidence of the working of the algorithm. Such has been the case with Nesterov algorithm and the various analogies used to describe the acceleration phenomena, viz, momentum associated with the rolling of a Heavy-Ball down a slope, Hessian damping etc. The main focus of our work is to ideate the genesis of the Nesterov algorithm from the viewpoint of dynamical systems leading to demystifying the mathematical rigour behind the algorithm. Instead of reverse engineering ODEs from discrete algorithms, this work explores tools from the recently developed control paradigm titled Passivity and Immersion approach and the Geometric Singular Perturbation theory which are applied to arrive at the formulation of a dynamical system that explains and models the acceleration phenomena. This perspective helps to gain insights into the various terms present and the sequence of steps used in Nesterovs accelerated algorithm for the smooth strongly convex and the convex case. The framework can also be extended to derive the acceleration achieved using the triple momentum method and provides justifications for the non-convergence to the optimal solution in the Heavy-Ball method.

  • 5 authors
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Sep 22, 2025

Droplet-triggered Faraday waves in a vertically forced bath

Repeated impacts of a droplet on a vertically forced bath can produce a growing Faraday-wave response under forcing conditions for which the corresponding initially undisturbed bath remains linearly stable. We investigate this mechanism using axisymmetric two-phase direct numerical simulations over a wide range of Reynolds and Weber numbers. The resulting phenomenological regime map identifies quasi-periodic, decaying, faint, and unstable-bath responses. Along the parameter path considered here, the transition to the unstable-bath regime occurs over a narrow range of Weber numbers and varies only weakly with Reynolds number. In the unstable regime, the bath develops a coherent subharmonic response at half the forcing frequency, while disturbances in the decaying regime remain broadband and weaken between successive rebounds. Bath-only simulations show that a finite-amplitude perturbation representative of droplet impact can seed the confined radial mode susceptible to parametric forcing, initiating a growing subharmonic response below the linear instability threshold of the initially flat bath. A reduced capillary-dominated model provides a scaling estimate for the impact-equivalent perturbation amplitude, and bath-only simulations initialized with these perturbations reproduce the bounded-to-growing transition observed in the coupled simulations. Floquet analysis of the finite cylindrical bath identifies the first axisymmetric Neumann mode as having the lowest subharmonic instability threshold. A time-resolved Bessel decomposition independently shows that the growing bath response is dominated by the same radial mode, while the droplet-induced subharmonic response projects predominantly onto this structure. These results identify a finite-amplitude route by which localized droplet impacts can access Faraday-wave dynamics below the linear onset threshold of an initially undisturbed bath.

  • 2 authors
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Oct 3

Preliminary sonification of ENSO using traditional Javanese gamelan scales

Sonification -- the mapping of data to non-speech audio -- offers an underexplored channel for representing complex dynamical systems. We treat El Niño-Southern Oscillation (ENSO), a canonical example of low-dimensional climate chaos, as a test case for culturally-situated sonification evaluated through complex systems diagnostics. Using parameter-mapping sonification of the Niño 3.4 sea surface temperature anomaly index (1870--2024), we encode ENSO variability into two traditional Javanese gamelan pentatonic systems (pelog and slendro) across four composition strategies, then analyze the resulting audio as trajectories in a two-dimensional acoustic phase space. Recurrence-based diagnostics, convex hull geometry, and coupling analysis reveal that the sonification pipeline preserves key dynamical signatures: alternating modes produce the highest trajectory recurrence rates, echoing ENSO's quasi-periodicity; layered polyphonic modes explore the broadest phase space regions; and the two scale families induce qualitatively distinct coupling regimes between spectral brightness and energy -- predominantly anti-phase in pelog but near-independent in slendro. Phase space trajectory analysis provides a rigorous geometric framework for comparing sonification designs within a complex systems context. Perceptual validation remains necessary; we contribute the dynamical systems methodology for evaluating such mappings.

Necessary conditions for the Markovian Mpemba effect

The Mpemba effect is a thermodynamic anomaly in which a system farther away in temperature from equilibrium thermalizes before one that is initially closer. The effect has been experimentally observed across a wide range of systems, including water, colloids, and trapped ions. It has recently been the focus of numerous studies aimed at understanding its mechanisms and developing multiple applications. Despite extensive work in the field, clearly determining which types of systems exhibit the Mpemba effect remains an open question. To address this, we derive simple necessary conditions on the transition rates for the Mpemba effect in a Markovian 3-level system and show that they can be applied to study the Mpemba effect in an N-level system. Multiple time scales govern thermalization in these systems. This allows the evolution to occur more quickly across larger temperature differences, explaining the Mpemba effect. We apply our protocol to evaluate which types of systems exhibit the Mpemba effect and, in doing so, explain why the Mpemba effect in Markovian systems remains a thermodynamic anomaly. In particular, due to the maximum entropy principle, our conditions allow us to discard the sub-Ohmic and Ohmic spectra. The latter describes a wide range of physical and chemical phenomena, which will not exhibit the Mpemba effect. Moreover, our results provide a clear path to determine the minimal physical requirements for the Mpemba effect, and we apply them to understand its underlying mechanisms better. Finally, our protocol could help identify relevant parameters for experiments, numerical simulations and diverse applications.

  • 3 authors
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Mar 3

Toward World Modeling of Physiological Signals with Chaos-Theoretic Balancing and Latent Dynamics

Physiological time series signals reflect complex, multi-scale dynamical processes of the human body. Existing modeling studies focus on static tasks such as classification, event forecasting, or short-horizon next step prediction, while long-horizon signal-level forecasting and predictive nature of physiological signals remain underexplored. We introduce NormWear-2, a world model that encodes both multivariate physiological signals and clinical intervention variables into a shared latent space and models their joint temporal evolution as a dynamical system. Our approach combines inference from prior pre-trained knowledge (intuition) with instant non-parametric latent state transition adaptation (insight), enabling coherent forecasting across multiple temporal scales, conditioned on heterogeneous clinical interventions. During the pretraining phase, we find that chaos-theoretic balancing of dynamical regime diversity yields more robust representations, with a smaller balanced corpus outperforming one twice its size and capturing bifurcation regimes. We evaluate the world model performance across diverse real-world physiological datasets spanning heterogeneous temporal resolutions and intervention regimes, covering daily life, point-of-care, and clinical settings, including fitness planning, hemodialysis, diabetes management, and surgical monitoring. These evaluation datasets comprise records from 8,026 subjects, spanning study durations from 3.2 hours for high-resolution signal data to 2.3 years for longitudinal clinical biomarker tracking. NormWear-2 achieves the best overall forecasting performance across time, frequency, and latent representation domains, with significant improvements over state-of-the-art time series foundation models, while maintaining competitive downstream representation quality, providing a step toward general-purpose world models for physiological signals.

  • 11 authors
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May 13

Meta Flow Matching: Integrating Vector Fields on the Wasserstein Manifold

Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynamics of communicating cells or physical particles. Learning the dynamics of such systems is essential for predicting the temporal evolution of populations across novel samples and unseen environments. Flow-based models allow for learning these dynamics at the population level - they model the evolution of the entire distribution of samples. However, current flow-based models are limited to a single initial population and a set of predefined conditions which describe different dynamics. We argue that multiple processes in natural sciences have to be represented as vector fields on the Wasserstein manifold of probability densities. That is, the change of the population at any moment in time depends on the population itself due to the interactions between samples. In particular, this is crucial for personalized medicine where the development of diseases and their respective treatment response depends on the microenvironment of cells specific to each patient. We propose Meta Flow Matching (MFM), a practical approach to integrating along these vector fields on the Wasserstein manifold by amortizing the flow model over the initial populations. Namely, we embed the population of samples using a Graph Neural Network (GNN) and use these embeddings to train a Flow Matching model. This gives MFM the ability to generalize over the initial distributions unlike previously proposed methods. We demonstrate the ability of MFM to improve prediction of individual treatment responses on a large scale multi-patient single-cell drug screen dataset.

  • 8 authors
·
Aug 26, 2024 2

amangkurat: A Python Library for Symplectic Pseudo-Spectral Solution of the Idealized (1+1)D Nonlinear Klein-Gordon Equation

This study introduces amangkurat, an open-source Python library designed for the robust numerical simulation of relativistic scalar field dynamics governed by the nonlinear Klein-Gordon equation in (1+1)D spacetime. The software implements a hybrid computational strategy that couples Fourier pseudo-spectral spatial discretization with a symplectic Størmer-Verlet temporal integrator, ensuring both exponential spatial convergence for smooth solutions and long-term preservation of Hamiltonian structure. To optimize performance, the solver incorporates adaptive timestepping based on Courant-Friedrichs-Lewy (CFL) stability criteria and utilizes Just-In-Time (JIT) compilation for parallelized force computation. The library's capabilities are validated across four canonical physical regimes: dispersive linear wave propagation, static topological kink preservation in phi-fourth theory, integrable breather dynamics in the sine-Gordon model, and non-integrable kink-antikink collisions. Beyond standard numerical validation, this work establishes a multi-faceted analysis framework employing information-theoretic entropy metrics (Shannon, Rényi, and Tsallis), kernel density estimation, and phase space reconstruction to quantify the distinct phenomenological signatures of these regimes. Statistical hypothesis testing confirms that these scenarios represent statistically distinguishable dynamical populations. Benchmarks on standard workstation hardware demonstrate that the implementation achieves high computational efficiency, making it a viable platform for exploratory research and education in nonlinear field theory.

  • 2 authors
·
Dec 27, 2025

Interplay between thermal and compositional gradients decides the microstructure during thermomigration: a phase-field study

The presence of thermal gradients in alloys often leads to non-uniformity in concentration profiles, which can induce the thermomigration of microstructural features such as precipitates. To investigate such microstructural changes, we present a phase-field model that incorporates coupling between concentration and thermal gradients. First, we simulated the evolution of non-uniform concentration profiles in the single-phase regions of Fe-C and Fe-N alloy systems due to imposed thermal gradients. To validate our model with the classical experiments performed by Darken and Oriani, we studied the evolution of spatially varying concentration profiles where thermal gradients encompass single-phase and two-phase regions. We developed a parameterized thermodynamic description of the two-phase region of a binary alloy to systematically study the effect of interactions between chemically-driven and thermal gradient-driven diffusion of solute on the evolution of precipitates. Our simulations show how thermal gradient, precipitate size, and interparticle distance influence the migration and associated morphological changes of precipitates. The composition profiles and migration rates obtained from single-particle simulations show an exact match with our analytical model. We use twoparticle simulations to show conditions under which thermomigration induces the growth of the smaller particle and shrinkage of the larger one in contrast to the isothermal Ostwald ripening behavior. Our multiparticle simulations show similar behavior during coarsening. Moreover, in the presence of a thermal gradient, there is a shift in the center of mass of the precipitates towards the high-temperature region. Thus, our study offers new insights into the phenomena of microstructure evolution in the presence of thermal gradient.

  • 4 authors
·
Jun 2, 2024

Activated coarsening of motility-induced phase separation in random environments

Self-propelled particles that only repel one another can still separate into a dense and a dilute phase, a process known as motility-induced phase separation (MIPS). In a clean system the domains coarsen like any conserved mixture: domains grow as ell(t)sim t^{1/3}. Living and synthetic swimmers, however, move through rough, porous, or patterned surroundings. Using large-scale simulations of active Brownian particles, we ask how frozen heterogeneity changes MIPS coarsening. We introduce disorder in two ways, as a quenched random force field acting on particle positions and as a quenched random torque field acting on their orientations. Both destroy Lifshitz-Slyozov growth. A transient power law with a disorder-dependent exponent gives way to activated dynamics in which the effective dynamic exponent grows without bound and domains grow at most logarithmically. The crossover obeys the scaling form known from the random-field Ising model, and the domain morphology depends on disorder strength, so superuniversality fails. The two kinds of disorder act through different mechanisms. Random forces trap particles in the sinks of a random drift field once the drift beats self-propulsion. Random torques act as a sign-random, quenched chirality that erodes persistence and lowers the local Péclet number toward its critical value. Our results show that quenched disorder is a relevant perturbation for the kinetics of active phase separation and connect MIPS coarsening to the physics of pinned interfaces in disordered magnets.

  • 2 authors
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Oct 2

Semigroup Solutions for A Multilayered Filtration System

We investigate solutions to a coupled system of partial differential equations that describe a multilayered filtration system. Namely, we study the interaction of a viscous incompressible flow with bulk poroelasticity, via a poroelastic interface. The configuration consists of two 3D toroidal subdomains connected via a plate interface, which permits elastic deformation and perfusive fluid dynamics. The governing dynamics comprise Stokes equations in the bulk fluid region, Biot's equations in the bulk poroelastic region, and the recent poroplate of Mikelić at the interface. Coupling occurs on the top and lower surfaces of the plate, and involves conservation of mass, stress balance, and a certain slip condition for the fluid free-flow. We seek strong (and mild) solutions in the Hilbert space framework via the Lumer-Phillips theorem. The resolvent analysis employs a nonstandard mixed variational formulation which captures the complex, multi-physics coupling at the interface. We explicitly characterize the infinitesimal generator associated to the linear Cauchy problem and establish the generation of a C_0-semigroup on a suitably chosen finite-energy space. With the semigroup in hand, we may treat elastic nonlinearities for plate displacements through perturbation theory. These result parallel those for Biot-Stokes filtration systems, and complement the recently established weak solution theory for multilayer filtrations. The agency of the semigroup straightforwardly admits structural (plate) nonlinearity into the dynamics. Future stability and regularity analyses for multilayer filtrations are also made possible by these results, as well as a comparison of spectral and regularity properties between filtration configurations, and the elucidation of the mitigating poroplate dynamics as possibly regularizing and stabilizing.

  • 3 authors
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Jan 31

Mamba Integrated with Physics Principles Masters Long-term Chaotic System Forecasting

Long-term forecasting of chaotic systems from short-term observations remains a fundamental and underexplored challenge due to the intrinsic sensitivity to initial conditions and the complex geometry of strange attractors. Existing approaches often rely on long-term training data or focus on short-term sequence correlations, struggling to maintain predictive stability and dynamical coherence over extended horizons. We propose PhyxMamba, a novel framework that integrates a Mamba-based state-space model with physics-informed principles to capture the underlying dynamics of chaotic systems. By reconstructing the attractor manifold from brief observations using time-delay embeddings, PhyxMamba extracts global dynamical features essential for accurate forecasting. Our generative training scheme enables Mamba to replicate the physical process, augmented by multi-token prediction and attractor geometry regularization for physical constraints, enhancing prediction accuracy and preserving key statistical invariants. Extensive evaluations on diverse simulated and real-world chaotic systems demonstrate that PhyxMamba delivers superior long-term forecasting and faithfully captures essential dynamical invariants from short-term data. This framework opens new avenues for reliably predicting chaotic systems under observation-scarce conditions, with broad implications across climate science, neuroscience, epidemiology, and beyond. Our code is open-source at https://github.com/tsinghua-fib-lab/PhyxMamba.

  • 5 authors
·
May 29, 2025

ODEWorld: A Continuous Predictive Architecture via Physical-Time Flow

In the physical world we inhabit, space and time are fundamentally continuous. However, existing machine learning paradigms for world modeling are largely confined to discrete-time prediction, thereby exhibiting significant inefficiency in capturing the dynamics of physical world. We introduce Physical-Time Flow (PT-Flow), a novel approach that learns a continuous latent velocity field operating in physical time. Crucially, the underlying dynamics of sequential data are parameterized by an ordinary differential equation (ODE) embedded in a well-structured representation space. Under this paradigm, the prediction of future can be recast as temporal integration via an ODE solver in the compressed latent space. Building upon PT-Flow, we construct ODEWorld, a continuous-time latent world model that is both efficient and versatile. By extracting time-variant features and enforcing ODE properties on both the dynamical representation space and the latent velocity field, ODEWorld effectively addresses the long-standing representation collapse issue in latent world model literature. This also enables high-quality image reconstruction even after long-horizon prediction. Moreover, its continuous nature allows for arbitrary temporal resolution and even backward prediction, which is impossible for most discrete-time models. Lastly, ODEWorld can provide rich planning-oriented information to facilitate downstream policy learning. Comprehensive experiments demonstrate that ODEWorld successfully reconciles planning-conducive dynamics abstraction with visual realism, excelling in both video generation and robotic control. https://dstate.github.io/odeworld_website/{Project Website}.

  • 8 authors
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Jul 29 2

Tides on Lava Worlds: Application to Close-in Exoplanets and the Early Earth-Moon System

Understanding the physics of planetary magma oceans has been the subject of growing efforts, in light of the increasing abundance of Solar system samples and extrasolar surveys. A rocky planet harboring such an ocean is likely to interact tidally with its host star, planetary companions, or satellites. To date, however, models of the tidal response and heat generation of magma oceans have been restricted to the framework of weakly viscous solids, ignoring the dynamical fluid behavior of the ocean beyond a critical melt fraction. Here we provide a handy analytical model that accommodates this phase transition, allowing for a physical estimation of the tidal response of lava worlds. We apply the model in two settings: The tidal history of the early Earth-Moon system in the aftermath of the giant impact; and the tidal interplay between short-period exoplanets and their host stars. For the former, we show that the fluid behavior of the Earth's molten surface drives efficient early Lunar recession to {sim} 25 Earth radii within 10^4{-} 10^5 years, in contrast with earlier predictions. For close-in exoplanets, we report on how their molten surfaces significantly change their spin-orbit dynamics, allowing them to evade spin-orbit resonances and accelerating their track towards tidal synchronization from a Gyr to Myr timescale. Moreover, we re-evaluate the energy budgets of detected close-in exoplanets, highlighting how the surface thermodynamics of these planets are likely controlled by enhanced, fluid-driven tidal heating, rather than vigorous insolation, and how this regime change substantially alters predictions for their surface temperatures.

  • 5 authors
·
Dec 10, 2024

Mean Field Theory Based on the Spike Time Response Curve for Synchronization Within and Between Two Alternating Populations of Neural Oscillators with Delays

In order to study oscillators coupled by pulses emitted at discrete times, it is generally assumed that the effect of each pulse is an instantaneous phase shift, with a possible conduction delay between emission and receipt. However, we are interested in neural oscillators in which each pulse (action potential) activates a biexponential synapse, and at high frequencies, the duration of the synaptic conductance may be greater than the network period. Therefore, the effect of received pulses can summate over the course of several cycles. To overcome this limitation, we previously defined a mean field approach for a single synchronous population. Here, we extend it to two alternating synchronous populations by assuming a perturbation of a single oscillator from one of the synchronous populations which is represented by a single self-connected neural oscillator. The train of delayed biexponential synapses emitted by each oscillator is divided into a tonic and a phasic component. Because of the continuous rather than pulsatile nature of the input, we had to drop the concept of oscillator phase and derive self-consistent criteria for the existence and stability of an alternating firing pattern between two synchronous populations based solely on the perturbation of time intervals from their steady state values. Simulations showed that for high frequency oscillations as defined above, the mean field approach predicts the existence and stability of phase-locking between two synchronous populations better than the instantaneous phase shift approach. This approach may generalize to other forms of coupling amongst non-neural oscillators.

  • 2 authors
·
Oct 6

Multi-Rate Mixture of Experts for Accelerating Liquid Neural Network Training

Multivariate time-series data often exhibit complex temporal dependencies, irregular sampling, and heterogeneous dynamics across multiple time scales, making accurate sequence modeling particularly challenging. Traditional recurrent neural networks (RNNs), such as Long Short-Term Memory (LSTM) networks, operate in discrete time and may struggle to effectively capture continuous and irregular temporal behaviors. Liquid Neural Networks (LNNs) address some of these limitations through continuous-time dynamics, but standard LNN architectures typically rely on a single dynamical system, limiting their ability to model heterogeneous temporal patterns. To address these challenges, we propose a Multi-Rate Mixture-of-Experts (MR-MoE) framework built on top of Liquid Neural Networks. In the proposed architecture, multiple LNN-based experts operate at distinct time scales, enabling the model to explicitly separate fast-changing dynamics from slow-evolving temporal trends. A gating network further enables adaptive expert specialization based on input conditions. In addition, we incorporate both feature-level and temporal attention mechanisms to improve robustness, interpretability, and long-range dependency modeling. Feature-level attention suppresses noisy or irrelevant variables, while temporal attention selectively focuses on informative historical states. We evaluate the proposed framework on a complex multivariate time-series prediction task and compare it against strong baselines, including LSTM, monolithic LNN, and standard MoE models. Experimental results demonstrate that the proposed MR-MoE framework consistently achieves improved AUROC and AUPRC performance while maintaining favorable computational efficiency. These results highlight the effectiveness of combining continuous-time dynamics, multi-scale expert decomposition, and adaptive attention mechanisms for time-series modeling.

  • 3 authors
·
Jun 9

Chaos as an interpretable benchmark for forecasting and data-driven modelling

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

  • 1 authors
·
Oct 11, 2021

Particle-Grid Neural Dynamics for Learning Deformable Object Models from RGB-D Videos

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 .

  • 4 authors
·
Jun 18, 2025

Neural Constitutive Learning for Generalized Reaction-Diffusion Systems

Generalized reaction-diffusion systems encompass diverse transport mechanisms and coupled reaction kinetics. A central question for neural PDE solvers is what should be learned so that a common interface can accommodate phase-field and degenerate transport, local reactions, and multispecies coupling. We propose the Neural Constitutive Laws--Mass-Compression-Transport (NCL-MCT) Solver, which learns PDE-specific constitutive responses while retaining temporal evolution in a shared MCT integrator. Transport is represented through mobility and thermodynamic driving force, and reaction through relative reaction rates. These constitutive responses depend on the current density rather than explicitly on the initial condition or elapsed time, motivating their reuse across different initial conditions and time horizons. The same interface supports velocity-data supervision and known-law supervision, neither of which requires time integration during training. When constitutive laws are known, supervision can be evaluated on independently sampled density fields, enabling trajectory-free constitutive learning without generating solution trajectories. Across seven systems, separately trained constitutive modules share the same interface and MCT integrator and achieve relative rollout L^2 errors of 10^{-4} to 10^{-2}. Tests with unseen initial-condition families and an extended time horizon assess reuse beyond training conditions, while separate experiments demonstrate trajectory-free constitutive learning. These results support constitutive responses as an effective learning target for a shared neural PDE framework.

  • 7 authors
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Sep 28

Limits and Powers of Koopman Learning

Dynamical systems provide a comprehensive way to study complex and changing behaviors across various sciences. Many modern systems are too complicated to analyze directly or we do not have access to models, driving significant interest in learning methods. Koopman operators have emerged as a dominant approach because they allow the study of nonlinear dynamics using linear techniques by solving an infinite-dimensional spectral problem. However, current algorithms face challenges such as lack of convergence, hindering practical progress. This paper addresses a fundamental open question: When can we robustly learn the spectral properties of Koopman operators from trajectory data of dynamical systems, and when can we not? Understanding these boundaries is crucial for analysis, applications, and designing algorithms. We establish a foundational approach that combines computational analysis and ergodic theory, revealing the first fundamental barriers -- universal for any algorithm -- associated with system geometry and complexity, regardless of data quality and quantity. For instance, we demonstrate well-behaved smooth dynamical systems on tori where non-trivial eigenfunctions of the Koopman operator cannot be determined by any sequence of (even randomized) algorithms, even with unlimited training data. Additionally, we identify when learning is possible and introduce optimal algorithms with verification that overcome issues in standard methods. These results pave the way for a sharp classification theory of data-driven dynamical systems based on how many limits are needed to solve a problem. These limits characterize all previous methods, presenting a unified view. Our framework systematically determines when and how Koopman spectral properties can be learned.

  • 3 authors
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Jul 8, 2024

Adaptive Mesh Coarsening for Efficient Phase-Field Fracture Simulations

Phase-field models provide a versatile framework for simulating fracture nucleation and propagation without explicit crack tracking. Their principal computational challenge is the need to resolve a small regularization length with a sufficiently fine finite element mesh. This requirement can render uniform-mesh simulations prohibitively expensive, particularly for three-dimensional problems, problems involving distributed crack nucleation, and soft nearly incompressible materials. Adaptive mesh refinement offers a natural means of reducing this cost, but existing approaches often rely on heuristic refinement indicators, are primarily designed for problems containing pre-existing cracks, and retain increasingly large refined regions as cracks grow in size. This work presents an adaptive mesh coarsening framework along with adaptive mesh refinement for phase-field fracture. The coarsening strategy replaces the fractured region in the crack wake with a coarse crack band that preserves the essential mechanical behavior of a crack, making it necessary to have a refined mesh only in a small region near the tip of the growing crack. The method introduces a physics-based refinement indicator derived from the violation of the material strength surface, which is a necessary condition for fracture evolution. The indicator therefore robustly identifies regions where crack nucleation or propagation is imminent and can be applied across arbitrary materials, geometries, and loading conditions. The framework is implemented in parallel within FEniCSx; the supporting finite element codes are made available. Its generality and substantial computational benefit are demonstrated through benchmark problems involving crack propagation and nucleation under quasi-static and dynamic loading, for soft and hard materials, and for thermomechanical fracture.

  • 3 authors
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Sep 17

Closed-form Continuous-time Neural Models

Continuous-time neural processes are performant sequential decision-makers that are built by differential equations (DE). However, their expressive power when they are deployed on computers is bottlenecked by numerical DE solvers. This limitation has significantly slowed down the scaling and understanding of numerous natural physical phenomena such as the dynamics of nervous systems. Ideally, we would circumvent this bottleneck by solving the given dynamical system in closed form. This is known to be intractable in general. Here, we show it is possible to closely approximate the interaction between neurons and synapses -- the building blocks of natural and artificial neural networks -- constructed by liquid time-constant networks (LTCs) efficiently in closed-form. To this end, we compute a tightly-bounded approximation of the solution of an integral appearing in LTCs' dynamics, that has had no known closed-form solution so far. This closed-form solution substantially impacts the design of continuous-time and continuous-depth neural models; for instance, since time appears explicitly in closed-form, the formulation relaxes the need for complex numerical solvers. Consequently, we obtain models that are between one and five orders of magnitude faster in training and inference compared to differential equation-based counterparts. More importantly, in contrast to ODE-based continuous networks, closed-form networks can scale remarkably well compared to other deep learning instances. Lastly, as these models are derived from liquid networks, they show remarkable performance in time series modeling, compared to advanced recurrent models.

  • 8 authors
·
Mar 1, 2022

NeuralDEM -- Real-time Simulation of Industrial Particulate Flows

Advancements in computing power have made it possible to numerically simulate large-scale fluid-mechanical and/or particulate systems, many of which are integral to core industrial processes. Among the different numerical methods available, the discrete element method (DEM) provides one of the most accurate representations of a wide range of physical systems involving granular and discontinuous materials. Consequently, DEM has become a widely accepted approach for tackling engineering problems connected to granular flows and powder mechanics. Additionally, DEM can be integrated with grid-based computational fluid dynamics (CFD) methods, enabling the simulation of chemical processes taking place, e.g., in fluidized beds. However, DEM is computationally intensive because of the intrinsic multiscale nature of particulate systems, restricting simulation duration or number of particles. Towards this end, NeuralDEM presents an end-to-end approach to replace slow numerical DEM routines with fast, adaptable deep learning surrogates. NeuralDEM is capable of picturing long-term transport processes across different regimes using macroscopic observables without any reference to microscopic model parameters. First, NeuralDEM treats the Lagrangian discretization of DEM as an underlying continuous field, while simultaneously modeling macroscopic behavior directly as additional auxiliary fields. Second, NeuralDEM introduces multi-branch neural operators scalable to real-time modeling of industrially-sized scenarios - from slow and pseudo-steady to fast and transient. Such scenarios have previously posed insurmountable challenges for deep learning models. Notably, NeuralDEM faithfully models coupled CFD-DEM fluidized bed reactors of 160k CFD cells and 500k DEM particles for trajectories of 28s. NeuralDEM will open many new doors to advanced engineering and much faster process cycles.

  • 6 authors
·
Nov 14, 2024

Stable by Construction: Variational Latent Markov Operators for Long-Horizon PDE Prediction

Neural PDE solvers provide efficient surrogates for time-dependent physical systems, but autoregressive prediction over long horizons remains challenging because local errors can induce distribution shift and accumulate under recursive deployment. We develop a variational approach to this problem by introducing latent Markov dynamics in which physical states are represented by latent distributions and evolved through probabilistic transitions. The framework is formulated directly on function spaces and specialized to functional Gaussian models, where structured latent perturbations induce a spectral geometry and variational transition alignment regularizes the learned dynamics. We further analyze how these mechanisms affect autoregressive error propagation, providing a theoretical connection between variational training and long-horizon prediction. We instantiate the framework as the Variational Autoencoding Markov Operator (VAMO), which combines spatially resolved latent fields, structured Gaussian perturbations, and a neural-operator transition. Empirically, we demonstrate the effectiveness of VAMO on several fluid-dynamics benchmarks with prediction horizons extending substantially beyond those represented during training, where it consistently reduces error accumulation and improves rollout stability over several deterministic and noise-injection baselines. Overall, these results highlight variational modeling as a complementary approach to robust long-horizon neural PDE dynamics.

  • 3 authors
·
Sep 14

Deep learning probability flows and entropy production rates in active matter

Active matter systems, from self-propelled colloids to motile bacteria, are characterized by the conversion of free energy into useful work at the microscopic scale. These systems generically involve physics beyond the reach of equilibrium statistical mechanics, and a persistent challenge has been to understand the nature of their nonequilibrium states. The entropy production rate and the magnitude of the steady-state probability current provide quantitative ways to do so by measuring the breakdown of time-reversal symmetry and the strength of nonequilibrium transport of measure. Yet, their efficient computation has remained elusive, as they depend on the system's unknown and high-dimensional probability density. Here, building upon recent advances in generative modeling, we develop a deep learning framework that estimates the score of this density. We show that the score, together with the microscopic equations of motion, gives direct access to the entropy production rate, the probability current, and their decomposition into local contributions from individual particles, spatial regions, and degrees of freedom. To represent the score, we introduce a novel, spatially-local transformer-based network architecture that learns high-order interactions between particles while respecting their underlying permutation symmetry. We demonstrate the broad utility and scalability of the method by applying it to several high-dimensional systems of interacting active particles undergoing motility-induced phase separation (MIPS). We show that a single instance of our network trained on a system of 4096 particles at one packing fraction can generalize to other regions of the phase diagram, including systems with as many as 32768 particles. We use this observation to quantify the spatial structure of the departure from equilibrium in MIPS as a function of the number of particles and the packing fraction.

  • 2 authors
·
Sep 22, 2023

Frenkel's entropy-exchange mechanism in monodisperse, nearly hard-sphere colloids: minimal perturbations to access fluid-crystal coexistence

Entropically driven fluid-solid transitions in monodisperse, purely repulsive hard spheres (MPRHS) are well established in theory, simulation, and experiment for atomic and colloidal systems. For MPRHS, however, coexistence is usually located via bulk free-energy calculations; the underlying microscopic balance between configurational and vibrational entropy is left implicit. Frenkel clarified this mechanism explicitly as an exchange of long-range configurational entropy for short-range vibrational entropy, but in the pristine MPRHS limit the nucleation barrier near coexistence is so high that phase separation is predicted only on astronomical time scales. Consistent with this, even unbiased simulations do not show spontaneous, equilibrium fluid-crystal coexistence; transient mixtures are mostly overtaken by a single phase; observed coexistence is still algorithmically-driven. Nearly hard-sphere colloid experiments do observe fluid-crystal coexistence, but always in the presence of unavoidable triggers such as gravity, walls, and polydispersity. We treat the hard-sphere phase diagram as settled and ask how the entropic exchange mechanism can be revealed in nearly hard-sphere colloidal simulations. We probe the mechanism on finite time scales by introducing minimal perturbations that trigger phase separation: small reductions in hardness that increase locally accessible free volume (and thus gently increase vibrational entropy), and 2-4% distributed crystal seeds. These perturbations produce coexisting fluid and crystal domains with crystal fraction, phase envelope and osmotic pressure that, with systematically increasing particle hardness, approach the hard-sphere limit. These results demonstrate that slight enhancements to vibrational entropy provide a dynamically accessible route to realizing the long-range/short-range entropy exchange required for phase separation.

  • 4 authors
·
Dec 18, 2025

Interactive 4D Volumetric Liquid Forecasting under Moving-Solid Interaction

We propose the task of Interactive 4D Volumetric Liquid Forecasting: predicting the spatiotemporal evolution of a future dense 3D liquid velocity field conditioned on how a solid object moves through it. This task provides an upstream physical forecasting primitive for systems that need to reason about motion-conditioned liquid response, including robotic liquid manipulation, digital twins, and rigid-fluid video generation. Existing works have made efforts in predicting flow around static or prescribed solid geometries and synthesizing visually plausible fluid motion. Yet these approaches provide limited coverage for interactive liquid dynamics, as they are not capable of forecasting how a moving solid induces a future full-domain liquid response. In this forecasting scenario, the hydrodynamic effect is condensed near an evolving liquid-solid interface, but the prediction target is a global spatiotemporal rollout. To address this challenge, we propose a two-level recurrent forecasting framework, TIDE/TIDES: TIDE isolates localized interface-driven forecasting, while TIDES adds transport-aware coupling and explicit stabilization to reduce accumulated rollout error. Across adapted neighboring baselines, controlled component ablations, motion/size OOD tests, and long-horizon evaluation, TIDES achieves the best forecasting performance and the ablations identify localized interaction, transport coupling, and stabilization as the key contributors. Together, our task formulation, benchmark, and TIDE/TIDES study establish a controlled foundation for moving-solid-conditioned dense liquid forecasting. The code is publicly available at https://github.com/jongwonryu/TIDE-TIDES.

  • 3 authors
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Oct 11