Daily Papers

Controlling the evolution of complex physical systems is a fundamental task across science and engineering. Classical techniques suffer from limited applicability or huge computational costs. On the other hand, recent deep learning and reinforcement learning-based approaches often struggle to optimize long-term control sequences under the constraints of system dynamics. In this work, we introduce Diffusion Physical systems Control (DiffPhyCon), a new class of method to address the physical systems control problem. DiffPhyCon excels by simultaneously minimizing both the learned generative energy function and the predefined control objectives across the entire trajectory and control sequence. Thus, it can explore globally and plan near-optimal control sequences. Moreover, we enhance DiffPhyCon with prior reweighting, enabling the discovery of control sequences that significantly deviate from the training distribution. We test our method on three tasks: 1D Burgers' equation, 2D jellyfish movement control, and 2D high-dimensional smoke control, where our generated jellyfish dataset is released as a benchmark for complex physical system control research. Our method outperforms widely applied classical approaches and state-of-the-art deep learning and reinforcement learning methods. Notably, DiffPhyCon unveils an intriguing fast-close-slow-open pattern observed in the jellyfish, aligning with established findings in the field of fluid dynamics. The project website, jellyfish dataset, and code can be found at https://github.com/AI4Science-WestlakeU/diffphycon.

Machine learning approaches to spatiotemporal physical systems have primarily focused on next-frame prediction, with the goal of learning an accurate emulator for the system's evolution in time. However, these emulators are computationally expensive to train and are subject to performance pitfalls, such as compounding errors during autoregressive rollout. In this work, we take a different perspective and look at scientific tasks further downstream of predicting the next frame, such as estimation of a system's governing physical parameters. Accuracy on these tasks offers a uniquely quantifiable glimpse into the physical relevance of the representations of these models. We evaluate the effectiveness of general-purpose self-supervised methods in learning physics-grounded representations that are useful for downstream scientific tasks. Surprisingly, we find that not all methods designed for physical modeling outperform generic self-supervised learning methods on these tasks, and methods that learn in the latent space (e.g., joint embedding predictive architectures, or JEPAs) outperform those optimizing pixel-level prediction objectives. Code is available at https://github.com/helenqu/physical-representation-learning.

Current Cyber-Physical Systems (CPS) integrated with Digital Twin (DT) technology face critical limitations in achieving real-time performance for mission-critical industrial applications. Existing 5G-enabled systems suffer from latencies exceeding 10ms, which are inadequate for applications requiring sub-millisecond response times, such as autonomous industrial control and predictive maintenance. This research aims to develop and validate a 6G-enabled Digital Twin framework that achieves ultra-low latency communication and real-time synchronization between physical industrial assets and their digital counterparts, specifically targeting bearing fault detection as a critical industrial use case. The proposed framework integrates terahertz communications (0.1-1 THz), intelligent reflecting surfaces, and edge artificial intelligence within a five-layer architecture. Experimental validation was conducted using the Case Western Reserve University (CWRU) bearing dataset, implementing comprehensive feature extraction (15 time and frequency domain features) and Random Forest classification algorithms. The system performance was evaluated against traditional WiFi-6 and 5G networks across multiple metrics, including classification accuracy, end-to-end latency, and scalability. It achieved 97.7% fault classification accuracy with 0.8ms end-to-end latency, representing a 15.6x improvement over WiFi-6 (12.5ms) and 5.25x improvement over 5G (4.2ms) networks. The system demonstrated superior scalability with sub-linear processing time growth and maintained consistent performance across four bearing fault categories (normal, inner race, outer race, and ball faults) with macro-averaged F1-scores exceeding 97%.

Components of cyber physical systems, which affect real-world processes, are often exposed to the internet. Replacing conventional control methods with Deep Reinforcement Learning (DRL) in energy systems is an active area of research, as these systems become increasingly complex with the advent of renewable energy sources and the desire to improve their efficiency. Artificial Neural Networks (ANN) are vulnerable to specific perturbations of their inputs or features, called adversarial examples. These perturbations are difficult to detect when properly regularized, but have significant effects on the ANN's output. Because DRL uses ANN to map optimal actions to observations, they are similarly vulnerable to adversarial examples. This work proposes a novel attack technique for continuous control using Group Difference Logits loss with a bifurcation layer. By combining aspects of targeted and untargeted attacks, the attack significantly increases the impact compared to an untargeted attack, with drastically smaller distortions than an optimally targeted attack. We demonstrate the impacts of powerful gradient-based attacks in a realistic smart energy environment, show how the impacts change with different DRL agents and training procedures, and use statistical and time-series analysis to evaluate attacks' stealth. The results show that adversarial attacks can have significant impacts on DRL controllers, and constraining an attack's perturbations makes it difficult to detect. However, certain DRL architectures are far more robust, and robust training methods can further reduce the impact.

The use of machine learning algorithms to investigate phase transitions in physical systems is a valuable way to better understand the characteristics of these systems. Neural networks have been used to extract information of phases and phase transitions directly from many-body configurations. However, one limitation of neural networks is that they require the definition of the model architecture and parameters previous to their application, and such determination is itself a difficult problem. In this paper, we investigate for the first time the relationship between the accuracy of neural networks for information of phases and the network configuration (that comprises the architecture and hyperparameters). We formulate the phase analysis as a regression task, address the question of generating data that reflects the different states of the physical system, and evaluate the performance of neural architecture search for this task. After obtaining the optimized architectures, we further implement smart data processing and analytics by means of neuron coverage metrics, assessing the capability of these metrics to estimate phase transitions. Our results identify the neuron coverage metric as promising for detecting phase transitions in physical systems.

Machine learning methods can be a valuable aid in the scientific process, but they need to face challenging settings where data come from inhomogeneous experimental conditions. Recent meta-learning methods have made significant progress in multi-task learning, but they rely on black-box neural networks, resulting in high computational costs and limited interpretability. Leveraging the structure of the learning problem, we argue that multi-environment generalization can be achieved using a simpler learning model, with an affine structure with respect to the learning task. Crucially, we prove that this architecture can identify the physical parameters of the system, enabling interpreable learning. We demonstrate the competitive generalization performance and the low computational cost of our method by comparing it to state-of-the-art algorithms on physical systems, ranging from toy models to complex, non-analytical systems. The interpretability of our method is illustrated with original applications to physical-parameter-induced adaptation and to adaptive control.

The increasing integration of AI agents into cyber-physical systems (CPS) introduces new security risks that extend beyond traditional cyber or physical threat models. Recent advances in generative AI enable deepfake and semantic manipulation attacks that can compromise agent perception, reasoning, and interaction with the physical environment, while emerging protocols such as the Model Context Protocol (MCP) further expand the attack surface through dynamic tool use and cross-domain context sharing. This survey provides a comprehensive review of security threats targeting AI agents in CPS, with a particular focus on environmental interactions, deepfake-driven attacks, and MCP-mediated vulnerabilities. We organize the literature using the SENTINEL framework, a lifecycle-aware methodology that integrates threat characterization, feasibility analysis under CPS constraints, defense selection, and continuous validation. Through an end-to-end case study grounded in a real-world smart grid deployment, we quantitatively illustrate how timing, noise, and false-positive costs constrain deployable defenses, and why detection mechanisms alone are insufficient as decision authorities in safety-critical CPS. The survey highlights the role of provenance- and physics-grounded trust mechanisms and defense-in-depth architectures, and outlines open challenges toward trustworthy AI-enabled CPS.

Large-scale physical systems defined on irregular grids pose significant scalability challenges for deep learning methods, especially in the presence of long-range interactions and multi-scale coupling. Traditional approaches that compute all pairwise interactions, such as attention, become computationally prohibitive as they scale quadratically with the number of nodes. We present Erwin, a hierarchical transformer inspired by methods from computational many-body physics, which combines the efficiency of tree-based algorithms with the expressivity of attention mechanisms. Erwin employs ball tree partitioning to organize computation, which enables linear-time attention by processing nodes in parallel within local neighborhoods of fixed size. Through progressive coarsening and refinement of the ball tree structure, complemented by a novel cross-ball interaction mechanism, it captures both fine-grained local details and global features. We demonstrate Erwin's effectiveness across multiple domains, including cosmology, molecular dynamics, PDE solving, and particle fluid dynamics, where it consistently outperforms baseline methods both in accuracy and computational efficiency.

This article conducts a literature review of current and future challenges in the use of artificial intelligence (AI) in cyber physical systems. The literature review is focused on identifying a conceptual framework for increasing resilience with AI through automation supporting both, a technical and human level. The methodology applied resembled a literature review and taxonomic analysis of complex internet of things (IoT) interconnected and coupled cyber physical systems. There is an increased attention on propositions on models, infrastructures and frameworks of IoT in both academic and technical papers. These reports and publications frequently represent a juxtaposition of other related systems and technologies (e.g. Industrial Internet of Things, Cyber Physical Systems, Industry 4.0 etc.). We review academic and industry papers published between 2010 and 2020. The results determine a new hierarchical cascading conceptual framework for analysing the evolution of AI decision-making in cyber physical systems. We argue that such evolution is inevitable and autonomous because of the increased integration of connected devices (IoT) in cyber physical systems. To support this argument, taxonomic methodology is adapted and applied for transparency and justifications of concepts selection decisions through building summary maps that are applied for designing the hierarchical cascading conceptual framework.

Predicting the evolution of complex physical systems remains a central problem in science and engineering. Despite rapid progress in scientific Machine Learning (ML) models, a critical bottleneck is the lack of expensive real-world data, resulting in most current models being trained and validated on simulated data. Beyond limiting the development and evaluation of scientific ML, this gap also hinders research into essential tasks such as sim-to-real transfer. We introduce RealPDEBench, the first benchmark for scientific ML that integrates real-world measurements with paired numerical simulations. RealPDEBench consists of five datasets, three tasks, eight metrics, and ten baselines. We first present five real-world measured datasets with paired simulated datasets across different complex physical systems. We further define three tasks, which allow comparisons between real-world and simulated data, and facilitate the development of methods to bridge the two. Moreover, we design eight evaluation metrics, spanning data-oriented and physics-oriented metrics, and finally benchmark ten representative baselines, including state-of-the-art models, pretrained PDE foundation models, and a traditional method. Experiments reveal significant discrepancies between simulated and real-world data, while showing that pretraining with simulated data consistently improves both accuracy and convergence. In this work, we hope to provide insights from real-world data, advancing scientific ML toward bridging the sim-to-real gap and real-world deployment. Our benchmark, datasets, and instructions are available at https://realpdebench.github.io/.

We introduce a novel continual learning method based on multifidelity deep neural networks. This method learns the correlation between the output of previously trained models and the desired output of the model on the current training dataset, limiting catastrophic forgetting. On its own the multifidelity continual learning method shows robust results that limit forgetting across several datasets. Additionally, we show that the multifidelity method can be combined with existing continual learning methods, including replay and memory aware synapses, to further limit catastrophic forgetting. The proposed continual learning method is especially suited for physical problems where the data satisfy the same physical laws on each domain, or for physics-informed neural networks, because in these cases we expect there to be a strong correlation between the output of the previous model and the model on the current training domain.

We develop data-driven methods for incorporating physical information for priors to learn parsimonious representations of nonlinear systems arising from parameterized PDEs and mechanics. Our approach is based on Variational Autoencoders (VAEs) for learning from observations nonlinear state space models. We develop ways to incorporate geometric and topological priors through general manifold latent space representations. We investigate the performance of our methods for learning low dimensional representations for the nonlinear Burgers equation and constrained mechanical systems.

This paper presents the Neural Network Verification (NNV) software tool, a set-based verification framework for deep neural networks (DNNs) and learning-enabled cyber-physical systems (CPS). The crux of NNV is a collection of reachability algorithms that make use of a variety of set representations, such as polyhedra, star sets, zonotopes, and abstract-domain representations. NNV supports both exact (sound and complete) and over-approximate (sound) reachability algorithms for verifying safety and robustness properties of feed-forward neural networks (FFNNs) with various activation functions. For learning-enabled CPS, such as closed-loop control systems incorporating neural networks, NNV provides exact and over-approximate reachability analysis schemes for linear plant models and FFNN controllers with piecewise-linear activation functions, such as ReLUs. For similar neural network control systems (NNCS) that instead have nonlinear plant models, NNV supports over-approximate analysis by combining the star set analysis used for FFNN controllers with zonotope-based analysis for nonlinear plant dynamics building on CORA. We evaluate NNV using two real-world case studies: the first is safety verification of ACAS Xu networks and the second deals with the safety verification of a deep learning-based adaptive cruise control system.

Model Predictive Controllers (MPC) require a good model for the controlled process. In this paper I infer inductive biases about a physical system. I use these biases to derive a new neural network architecture that can model this real system that has noise and inertia. The main inductive biases exploited here are: the delayed impact of some inputs on the system and the separability between the temporal component and how the inputs interact to produce the output of a system. The inputs are independently delayed using shifted convolutional kernels. Feature interactions are modelled using a fully connected network that does not have access to temporal information. The available data and the problem setup allow the usage of Self Supervised Learning in order to train the models. The baseline architecture is an Attention based Reccurent network adapted to work with MPC like inputs. The proposed networks are faster, better at exploiting larger data volumes and are almost as good as baseline networks in terms of prediction performance. The proposed architecture family called Delay can be used in a real scenario to control systems with delayed responses with respect to its controls or inputs. Ablation studies show that the presence of delay kernels are vital to obtain any learning in proposed architecture. Code and some experimental data are available online.

Cyber-physical systems like autonomous vehicles are tested in simulation before deployment, using domain-specific programs for scenario specification. To aid the testing of autonomous vehicles in simulation, we design a natural language interface, using an instruction-following large language model, to assist a non-coding domain expert in synthesising the desired scenarios and vehicle behaviours. We show that using it to convert utterances to the symbolic program is feasible, despite the very small training dataset. Human experiments show that dialogue is critical to successful simulation generation, leading to a 4.5 times higher success rate than a generation without engaging in extended conversation.

Transportation Cyber-Physical Systems (T-CPS) enhance safety and mobility by integrating cyber and physical transportation systems. A key component of T-CPS is the Digital Twin (DT), a virtual representation that enables simulation, analysis, and optimization through real-time data exchange and communication. Although existing studies have explored DTs for vehicles, communications, pedestrians, and traffic, real-world validations and implementations of DTs that encompass infrastructure, vehicles, signals, communications, and more remain limited due to several challenges. These include accessing real-world connected infrastructure, integrating heterogeneous, multi-sourced data, ensuring real-time data processing, and synchronizing the digital and physical systems. To address these challenges, this study develops a traffic DT based on a real-world connected vehicle corridor. Leveraging the Cellular Vehicle-to-Everything (C-V2X) infrastructure in the corridor, along with communication, computing, and simulation technologies, the proposed DT accurately replicates physical vehicle behaviors, signal timing, communications, and traffic patterns within the virtual environment. Building upon the previous data pipeline, the digital system ensures robust synchronization with the physical environment. Moreover, the DT's scalable and redundant architecture enhances data integrity, making it capable of supporting future large-scale C-V2X deployments. Furthermore, its ability to provide feedback to the physical system is demonstrated through applications such as signal timing adjustments, vehicle advisory messages, and incident notifications. The proposed DT is a vital tool in T-CPS, enabling real-time traffic monitoring, prediction, and optimization to enhance the reliability and safety of transportation systems.

Partial differential equations (PDEs) are important tools to model physical systems, and including them into machine learning models is an important way of incorporating physical knowledge. Given any system of linear PDEs with constant coefficients, we propose a family of Gaussian process (GP) priors, which we call EPGP, such that all realizations are exact solutions of this system. We apply the Ehrenpreis-Palamodov fundamental principle, which works like a non-linear Fourier transform, to construct GP kernels mirroring standard spectral methods for GPs. Our approach can infer probable solutions of linear PDE systems from any data such as noisy measurements, or pointwise defined initial and boundary conditions. Constructing EPGP-priors is algorithmic, generally applicable, and comes with a sparse version (S-EPGP) that learns the relevant spectral frequencies and works better for big data sets. We demonstrate our approach on three families of systems of PDE, the heat equation, wave equation, and Maxwell's equations, where we improve upon the state of the art in computation time and precision, in some experiments by several orders of magnitude.

Unmanned aerial vehicles (UAVs) are cyber-physical systems whose attack surface spans networked avionics and on-board sensor fusion: a compromised GPS or battery module can mimic a benign mission segment and evade naive anomaly detectors. We present a leakage-free evaluation of quantum machine learning for UAV anomaly detection on the multi-sensor TLM:UAV benchmark. Three contributions support the study. (i) A group-aware temporal protocol (B2) partitions the dataset into ten contiguous TimeUS blocks and evaluates over ten seeds, eliminating the inflation produced by random stratified splits that mix neighbouring samples. (ii) A three-mode feature audit (full/loose/strict) quantifies how much accuracy stems from instantaneous physical signals versus contextual proxies (cumulative energy, battery state, GPS trajectory). (iii) A hybrid XGBoost + Data Reuploading (DRU) classifier is benchmarked against five paired non-linear controls (raw, PCA, polynomial-2, random-RBF, and an untrained DRU map) under identical budgets. The standalone DRU does not consistently match the strongest classical baseline across seeds; however, the trained-DRU hybrid is the only model whose mean F1 macro shifts upward from full to strict (+0.05), a directional signal that the per-seed standard deviations prevent from being interpreted as a statistically established difference. The trained-DRU hybrid also records the lowest mean false-alarm rate under proxy-free evaluation, subject to the inter-seed variance reported. We frame this as an incremental, reproducible quantum-enhanced hybrid benefit, and provide an open Qiskit 2.x implementation as a benchmark for cybersecurity analytics in NISQ-era aerospace systems.

Control systems are ubiquitous in modern technology, comprising an engineered plant to be kept within specific, often fine-tuned, limits, and a separate controller that ensures this is the case. While modern controllers often employ digital computers, other examples are purely mechanical, or even biological. It is an open question whether computation is happening within all controllers by virtue of them being part of a control system. Abstraction/ Representation theory (ART) has been developed to tackle just this question of whether a physical system is computing. Here, we demonstrate how to use ART to model control systems, and analyse them for computational properties. We determine that the plant of a control system is (a proxy for) the representational entity necessary in ART for the existence of any computation: the plant is the user of the controller. We consider specific systems: a digital thermostat, an electro-mechanical thermostat, the purely mechanical centrifugal governor, and an open-loop human-controlled heating system. We show that all these systems, and control systems in general, are performing some degree of computation. As an initial use of these results, we apply them to computationalism within cognitive theory: we show the governor is computing, so it cannot play its role of counter-example in the question of whether the brain is too.

Recent years have witnessed the outstanding success of deep learning in various fields such as vision and natural language processing. This success is largely indebted to the massive size of deep learning models that is expected to increase unceasingly. This growth of the deep learning models is accompanied by issues related to their considerable energy consumption, both during the training and inference phases, as well as their scalability. Although a number of work based on unconventional physical systems have been proposed which addresses the issue of energy efficiency in the inference phase, efficient training of deep learning models has remained unaddressed. So far, training of digital deep learning models mainly relies on backpropagation, which is not suitable for physical implementation as it requires perfect knowledge of the computation performed in the so-called forward pass of the neural network. Here, we tackle this issue by proposing a simple deep neural network architecture augmented by a biologically plausible learning algorithm, referred to as "model-free forward-forward training". The proposed architecture enables training deep physical neural networks consisting of layers of physical nonlinear systems, without requiring detailed knowledge of the nonlinear physical layers' properties. We show that our method outperforms state-of-the-art hardware-aware training methods by improving training speed, decreasing digital computations, and reducing power consumption in physical systems. We demonstrate the adaptability of the proposed method, even in systems exposed to dynamic or unpredictable external perturbations. To showcase the universality of our approach, we train diverse wave-based physical neural networks that vary in the underlying wave phenomenon and the type of non-linearity they use, to perform vowel and image classification tasks experimentally.

Neural Ordinary Differential Equations (NODEs) often struggle to adapt to new dynamic behaviors caused by parameter changes in the underlying physical system, even when these dynamics are similar to previously observed behaviors. This problem becomes more challenging when the changing parameters are unobserved, meaning their value or influence cannot be directly measured when collecting data. To address this issue, we introduce Neural Context Flow (NCF), a robust and interpretable Meta-Learning framework that includes uncertainty estimation. NCF uses Taylor expansion to enable contextual self-modulation, allowing context vectors to influence dynamics from other domains while also modulating themselves. After establishing theoretical guarantees, we empirically test NCF and compare it to related adaptation methods. Our results show that NCF achieves state-of-the-art Out-of-Distribution performance on 5 out of 6 linear and non-linear benchmark problems. Through extensive experiments, we explore the flexible model architecture of NCF and the encoded representations within the learned context vectors. Our findings highlight the potential implications of NCF for foundational models in the physical sciences, offering a promising approach to improving the adaptability and generalization of NODEs in various scientific applications. Our code is openly available at https://github.com/ddrous/ncflow.

Large Language Models (LLMs) have shown promise in various tasks, yet few benchmarks assess their capabilities in embedded system development.In this paper, we introduce EmbedAgent, a paradigm designed to simulate real-world roles in embedded system development, such as Embedded System Programmer, Architect, and Integrator. This paradigm enables LLMs to be tested in tasks that bridge the gap between digital and physical systems, allowing for a more comprehensive assessment of their capabilities. To evaluate LLMs on these tasks, we propose Embedbench, the first comprehensive benchmark for embedded system programming, circuit design, and cross-platform migration.Embedbench consists of 126 cases, covering 9 electronic components across 3 hardware platforms. Through extensive experiments on 10 mainstream LLMs, we uncover several key findings. Surprisingly, despite the simplicity of the cases, DeepSeek-R1 achieves only a 55.6% pass@1 rate when provided with schematic information, and 50.0% when tasked with generating the schematics itself. In the cross-platform migration tasks, LLMs show relatively strong performance with MicroPython on the Raspberry Pi Pico (with the top model achieving 73.8% pass@1), but perform poorly on ESP-IDF, where the best model reaches only 29.4% pass@1.Interestingly, we observe that general-purpose chat LLMs like DeepSeek-V3 often fail to utilize relevant pre-trained knowledge in this domain, while reasoning LLMs tend to overthink and overlook efficient knowledge during pretraining. Based on these insights, we propose two strategies: retrieval augmented generation and compiler feedback-to enhance LLM performance. These strategies result in significant improvements, with Deepseek-R1 reaching a 65.1% pass@1 with correct schematics, and 53.1% without. Additionally, the accuracy of the Arduino to ESP32 migration task improves from 21.4% to 27.8%.

Graph Neural Networks (GNNs) with equivariant properties have emerged as powerful tools for modeling complex dynamics of multi-object physical systems. However, their generalization ability is limited by the inadequate consideration of physical inductive biases: (1) Existing studies overlook the continuity of transitions among system states, opting to employ several discrete transformation layers to learn the direct mapping between two adjacent states; (2) Most models only account for first-order velocity information, despite the fact that many physical systems are governed by second-order motion laws. To incorporate these inductive biases, we propose the Second-order Equivariant Graph Neural Ordinary Differential Equation (SEGNO). Specifically, we show how the second-order continuity can be incorporated into GNNs while maintaining the equivariant property. Furthermore, we offer theoretical insights into SEGNO, highlighting that it can learn a unique trajectory between adjacent states, which is crucial for model generalization. Additionally, we prove that the discrepancy between this learned trajectory of SEGNO and the true trajectory is bounded. Extensive experiments on complex dynamical systems including molecular dynamics and motion capture demonstrate that our model yields a significant improvement over the state-of-the-art baselines.

Time domain simulation, i.e., modeling the system's evolution over time, is a crucial tool for studying and enhancing power system stability and dynamic performance. However, these simulations become computationally intractable for renewable-penetrated grids, due to the small simulation time step required to capture renewable energy resources' ultra-fast dynamic phenomena in the range of 1-50 microseconds. This creates a critical need for solutions that are both fast and scalable, posing a major barrier for the stable integration of renewable energy resources and thus climate change mitigation. This paper explores operator learning, a family of machine learning methods that learn mappings between functions, as a surrogate model for these costly simulations. The paper investigates, for the first time, the fundamental concept of simulation time step-invariance, which enables models trained on coarse time steps to generalize to fine-resolution dynamics. Three operator learning methods are benchmarked on a simple test system that, while not incorporating practical complexities of renewable-penetrated grids, serves as a first proof-of-concept to demonstrate the viability of time step-invariance. Models are evaluated on (i) zero-shot super-resolution, where training is performed on a coarse simulation time step and inference is performed at super-resolution, and (ii) generalization between stable and unstable dynamic regimes. This work addresses a key challenge in the integration of renewable energy for the mitigation of climate change by benchmarking operator learning methods to model physical systems.

Accurate ocean forecasting is crucial in different areas ranging from science to decision making. Recent advancements in data-driven models have shown significant promise, particularly in weather forecasting community, but yet no data-driven approaches have matched the accuracy and the scalability of traditional global ocean forecasting systems that rely on physics-driven numerical models and can be very computationally expensive, depending on their spatial resolution or complexity. Here, we introduce GLONET, a global ocean neural network-based forecasting system, developed by Mercator Ocean International. GLONET is trained on the global Mercator Ocean physical reanalysis GLORYS12 to integrate physics-based principles through neural operators and networks, which dynamically capture local-global interactions within a unified, scalable framework, ensuring high small-scale accuracy and efficient dynamics. GLONET's performance is assessed and benchmarked against two other forecasting systems: the global Mercator Ocean analysis and forecasting 1/12 high-resolution physical system GLO12 and a recent neural-based system also trained from GLORYS12. A series of comprehensive validation metrics is proposed, specifically tailored for neural network-based ocean forecasting systems, which extend beyond traditional point-wise error assessments that can introduce bias towards neural networks optimized primarily to minimize such metrics. The preliminary evaluation of GLONET shows promising results, for temperature, sea surface height, salinity and ocean currents. GLONET's experimental daily forecast are accessible through the European Digital Twin Ocean platform EDITO.

The vulnerability of artificial intelligence (AI) and machine learning (ML) against adversarial disturbances and attacks significantly restricts their applicability in safety-critical systems including cyber-physical systems (CPS) equipped with neural network components at various stages of sensing and control. This paper addresses the reachable set estimation and safety verification problems for dynamical systems embedded with neural network components serving as feedback controllers. The closed-loop system can be abstracted in the form of a continuous-time sampled-data system under the control of a neural network controller. First, a novel reachable set computation method in adaptation to simulations generated out of neural networks is developed. The reachability analysis of a class of feedforward neural networks called multilayer perceptrons (MLP) with general activation functions is performed in the framework of interval arithmetic. Then, in combination with reachability methods developed for various dynamical system classes modeled by ordinary differential equations, a recursive algorithm is developed for over-approximating the reachable set of the closed-loop system. The safety verification for neural network control systems can be performed by examining the emptiness of the intersection between the over-approximation of reachable sets and unsafe sets. The effectiveness of the proposed approach has been validated with evaluations on a robotic arm model and an adaptive cruise control system.

Physical systems commonly exhibit spatially varying complexity, presenting a significant challenge for neural PDE solvers. While Graph Neural Networks can handle the irregular meshes required for complex geometries and boundary conditions, they still apply uniform computational effort across all nodes regardless of the underlying physics complexity. This leads to inefficient resource allocation where computationally simple regions receive the same treatment as complex phenomena. We address this challenge by introducing Adaptive Mesh Quantization: spatially adaptive quantization across mesh node, edge, and cluster features, dynamically adjusting the bit-width used by a quantized model. We propose an adaptive bit-width allocation strategy driven by a lightweight auxiliary model that identifies high-loss regions in the input mesh. This enables dynamic resource distribution in the main model, where regions of higher difficulty are allocated increased bit-width, optimizing computational resource utilization. We demonstrate our framework's effectiveness by integrating it with two state-of-the-art models, MP-PDE and GraphViT, to evaluate performance across multiple tasks: 2D Darcy flow, large-scale unsteady fluid dynamics in 2D, steady-state Navier-Stokes simulations in 3D, and a 2D hyper-elasticity problem. Our framework demonstrates consistent Pareto improvements over uniformly quantized baselines, yielding up to 50% improvements in performance at the same cost.

Understanding the loss landscape is an important problem in machine learning. One key feature of the loss function, common to many neural network architectures, is the presence of exponentially many low lying local minima. Physical systems with similar energy landscapes may provide useful insights. In this work, we point out that black holes naturally give rise to such landscapes, owing to the existence of black hole entropy. For definiteness, we consider 1/8 BPS black holes in N = 8 string theory. These provide an infinite family of potential landscapes arising in the microscopic descriptions of corresponding black holes. The counting of minima amounts to black hole microstate counting. Moreover, the exact numbers of the minima for these landscapes are a priori known from dualities in string theory. Some of the minima are connected by paths of low loss values, resembling mode connectivity. We estimate the number of runs needed to find all the solutions. Initial explorations suggest that Stochastic Gradient Descent can find a significant fraction of the minima.

Simulating physical systems governed by Lagrangian dynamics often entails solving partial differential equations (PDEs) over high-resolution spatial domains, leading to significant computational expense. Reduced-order modeling (ROM) mitigates this cost by evolving low-dimensional latent representations of the underlying system. While neural ROMs enable querying solutions from latent states at arbitrary spatial points, their latent states typically represent the global domain and struggle to capture localized, highly dynamic behaviors such as fluids. We propose a sampling-based reduction framework that evolves Lagrangian systems directly in physical space over the particles themselves, reducing the number of active degrees of freedom via data-driven neural PDE operators. To enable querying at arbitrary spatial locations, we introduce a learnable kernel parameterization that uses local spatial information from time-evolved sample particles to infer the underlying solution manifold. Empirically, our approach achieves a 6.6x to 32x reduction in input dimensionality while maintaining high-fidelity evaluations across diverse Lagrangian regimes, including fluid flows, granular media, and elastoplastic dynamics. We refer to this framework as GIOROM (Geometry-Informed Reduced-Order Modeling). All code and data are available at: https://github.com/HrishikeshVish/GIOROM

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.

Industrial Cyber-Physical Systems (ICPS) technologies are foundational in driving maritime autonomy, particularly for Unmanned Surface Vehicles (USVs). However, onboard computational constraints and communication latency significantly restrict real-time data processing, analysis, and predictive modeling, hence limiting the scalability and responsiveness of maritime ICPS. To overcome these challenges, we propose a distributed Cloud-Edge-IoT architecture tailored for maritime ICPS by leveraging design principles from the recently proposed Cloud-Fog Automation paradigm. Our proposed architecture comprises three hierarchical layers: a Cloud Layer for centralized and decentralized data aggregation, advanced analytics, and future model refinement; an Edge Layer that executes localized AI-driven processing and decision-making; and an IoT Layer responsible for low-latency sensor data acquisition. Our experimental results demonstrated improvements in computational efficiency, responsiveness, and scalability. When compared with our conventional approaches, we achieved a classification accuracy of 86\%, with an improved latency performance. By adopting Cloud-Fog Automation, we address the low-latency processing constraints and scalability challenges in maritime ICPS applications. Our work offers a practical, modular, and scalable framework to advance robust autonomy and AI-driven decision-making and autonomy for intelligent USVs in future maritime ICPS.

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.

Simulating and controlling physical systems described by partial differential equations (PDEs) are crucial tasks across science and engineering. Recently, diffusion generative models have emerged as a competitive class of methods for these tasks due to their ability to capture long-term dependencies and model high-dimensional states. However, diffusion models typically struggle with handling system states with abrupt changes and generalizing to higher resolutions. In this work, we propose Wavelet Diffusion Neural Operator (WDNO), a novel PDE simulation and control framework that enhances the handling of these complexities. WDNO comprises two key innovations. Firstly, WDNO performs diffusion-based generative modeling in the wavelet domain for the entire trajectory to handle abrupt changes and long-term dependencies effectively. Secondly, to address the issue of poor generalization across different resolutions, which is one of the fundamental tasks in modeling physical systems, we introduce multi-resolution training. We validate WDNO on five physical systems, including 1D advection equation, three challenging physical systems with abrupt changes (1D Burgers' equation, 1D compressible Navier-Stokes equation and 2D incompressible fluid), and a real-world dataset ERA5, which demonstrates superior performance on both simulation and control tasks over state-of-the-art methods, with significant improvements in long-term and detail prediction accuracy. Remarkably, in the challenging context of the 2D high-dimensional and indirect control task aimed at reducing smoke leakage, WDNO reduces the leakage by 33.2% compared to the second-best baseline. The code can be found at https://github.com/AI4Science-WestlakeU/wdno.git.

Computational efficiency and robustness are essential in process modeling, optimization, and control for real-world engineering applications. While neural network-based approaches have gained significant attention in recent years, conventional neural networks often fail to address these two critical aspects simultaneously or even independently. Inspired by natural physical systems and established literature, input convex architectures are known to enhance computational efficiency in optimization tasks, whereas Lipschitz-constrained architectures improve robustness. However, combining these properties within a single model requires careful review, as inappropriate methods for enforcing one property can undermine the other. To overcome this, we introduce a novel network architecture, termed Input Convex Lipschitz Recurrent Neural Networks (ICLRNNs). This architecture seamlessly integrates the benefits of convexity and Lipschitz continuity, enabling fast and robust neural network-based modeling and optimization. The ICLRNN outperforms existing recurrent units in both computational efficiency and robustness. Additionally, it has been successfully applied to practical engineering scenarios, such as modeling and control of chemical process and the modeling and real-world solar irradiance prediction for solar PV system planning at LHT Holdings in Singapore. Source code is available at https://github.com/killingbear999/ICLRNN.

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this paper, we present GraphSplineNets, a novel deep-learning method to speed up the forecasting of physical systems by reducing the grid size and number of iteration steps of deep surrogate models. Our method uses two differentiable orthogonal spline collocation methods to efficiently predict response at any location in time and space. Additionally, we introduce an adaptive collocation strategy in space to prioritize sampling from the most important regions. GraphSplineNets improve the accuracy-speedup tradeoff in forecasting various dynamical systems with increasing complexity, including the heat equation, damped wave propagation, Navier-Stokes equations, and real-world ocean currents in both regular and irregular domains.

Recent advances in generative modeling have spurred a resurgence in the field of Embodied Artificial Intelligence (EAI). EAI systems typically deploy large language models to physical systems capable of interacting with their environment. In our exploration of EAI for industrial domains, we successfully demonstrate the feasibility of co-located, human-robot teaming. Specifically, we construct an experiment where an Augmented Reality (AR) headset mediates information exchange between an EAI agent and human operator for a variety of inspection tasks. To our knowledge the use of an AR headset for multimodal grounding and the application of EAI to industrial tasks are novel contributions within Embodied AI research. In addition, we highlight potential pitfalls in EAI's construction by providing quantitative and qualitative analysis on prompt robustness.

Finding the ground state of a quantum many-body system is a fundamental problem in quantum physics. In this work, we give a classical machine learning (ML) algorithm for predicting ground state properties with an inductive bias encoding geometric locality. The proposed ML model can efficiently predict ground state properties of an n-qubit gapped local Hamiltonian after learning from only O(log(n)) data about other Hamiltonians in the same quantum phase of matter. This improves substantially upon previous results that require O(n^c) data for a large constant c. Furthermore, the training and prediction time of the proposed ML model scale as O(n log n) in the number of qubits n. Numerical experiments on physical systems with up to 45 qubits confirm the favorable scaling in predicting ground state properties using a small training dataset.

Mask-based lensless imagers are smaller and lighter than traditional lensed cameras. In these imagers, the sensor does not directly record an image of the scene; rather, a computational algorithm reconstructs it. Typically, mask-based lensless imagers use a model-based reconstruction approach that suffers from long compute times and a heavy reliance on both system calibration and heuristically chosen denoisers. In this work, we address these limitations using a bounded-compute, trainable neural network to reconstruct the image. We leverage our knowledge of the physical system by unrolling a traditional model-based optimization algorithm, whose parameters we optimize using experimentally gathered ground-truth data. Optionally, images produced by the unrolled network are then fed into a jointly-trained denoiser. As compared to traditional methods, our architecture achieves better perceptual image quality and runs 20x faster, enabling interactive previewing of the scene. We explore a spectrum between model-based and deep learning methods, showing the benefits of using an intermediate approach. Finally, we test our network on images taken in the wild with a prototype mask-based camera, demonstrating that our network generalizes to natural images.

Creating images from noise is image generation; reconstructing fine details from coarse inputs is super-resolution. Despite their practical differences, both can be understood as reversing information loss across scales. We introduce SKILD, a Scale-invariant K-Space Image Learning Diffusion model that unifies generation and continuous super-resolution within a single unconditional framework. Both natural images and critical physical systems exhibit scale invariance, and we leverage it to design a forward process that attenuates image content from fine to coarse scales while injecting spectrum-matched Gaussian noise, making scale an explicit coordinate of the diffusion dynamics. The same trained reverse process performs generation and continuous super-resolution by varying only the starting timestep: no task-specific architecture, no conditioning branch, no classifier-free guidance, no retraining per scale factor. Empirically, SKILD reaches FID 2.65 and Inception Score 9.63 on unconditional CIFAR-10, performs 2times--8times super-resolution on ImageNet from a single unconditional checkpoint while outperforming conditional models across perceptual metrics, and reconstructs critical Ising models whose connected four-point correlations closely track the ground truth.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Building models that generalize across physical systems without retraining remains a central challenge in computational science. Here we introduce In-Context Modeling (ICM), a retrain-free paradigm that infers physical relationships directly from observational fields. Rather than encoding system-specific behavior in fixed parameters, ICM assimilates measurements as physical context and performs inference through a single forward pass. Trained in a physics-informed, label-free manner using governing equations, a single model generalizes across unseen materials, geometries, and loading conditions. Demonstrated on hyperelasticity, ICM integrates with finite-element simulations and is validated using experimental full-field measurements. Moreover, performance improves with increasing data diversity and computational budget, exhibiting favorable scaling behavior analogous to foundation models. By recasting physical modeling as in-context inference, this work establishes a transferable paradigm for retrain-free scientific learning and a foundation for scalable modeling across computational science.

Real-time execution is essential for cyber-physical systems such as robots. These systems operate in dynamic real-world environments where even small delays can undermine responsiveness and compromise performance. Asynchronous inference has recently emerged as a system-level paradigm for real-time robot manipulation, enabling the next action chunk to be predicted while the current one is being executed. While this approach achieves real-time responsiveness, naive integration often results in execution failure. Previous methods attributed this failure to inter-chunk discontinuity and developed test-time algorithms to smooth chunk boundaries. In contrast, we identify another critical yet overlooked factor: intra-chunk inconsistency, where the robot's executed action chunk partially misaligns with its current perception. To address this, we propose REMAC, which learns corrective adjustments on the pretrained policy through masked action chunking, enabling the policy to remain resilient under mismatches between intended actions and actual execution during asynchronous inference. In addition, we introduce a prefix-preserved sampling procedure to reinforce inter-chunk continuity. Overall, our method delivers more reliable policies without incurring additional latency. Extensive experiments in both simulation and real-world settings demonstrate that our method enables faster task execution, maintains robustness across varying delays, and consistently achieves higher completion rates.

As LLMs advance their reasoning capabilities about the physical world, the absence of rigorous benchmarks for evaluating their ability to generate scientifically valid physical models has become a critical gap. Computational mechanics, which develops and applies mathematical models and numerical methods to predict the behavior of physical systems under forces, deformation, and constraints, provides an ideal foundation for structured scientific reasoning evaluation. Problems follow clear mathematical structure, enforce strict physical and numerical constraints, and support objective verification. The discipline requires constructing explicit models of physical systems and reasoning about geometry, spatial relationships, and material behavior, connecting directly to emerging AI goals in physical reasoning and world modeling. We introduce FEM-Bench, a computational mechanics benchmark designed to evaluate the ability of LLMs to generate correct finite element method (FEM) and related code. FEM-Bench 2025 contains a suite of introductory but nontrivial tasks aligned with material from a first graduate course on computational mechanics. These tasks capture essential numerical and physical modeling challenges while representing only a small fraction of the complexity present in the discipline. Despite their simplicity, state-of-the-art LLMs do not reliably solve all of them. In a five attempt run, the best performing model at function writing, Gemini 3 Pro, completed 30/33 tasks at least once and 26/33 tasks all five times. The best performing model at unit test writing, GPT-5, had an Average Joint Success Rate of 73.8%. Other popular models showed broad performance variation. FEM-Bench establishes a structured foundation for evaluating AI-generated scientific code, and future iterations will incorporate increasingly sophisticated tasks to track progress as models evolve.

We propose a formal reconstruction of quantum mechanics grounded not in external mathematical abstractions, but in the structured dynamics of subjective experience. The Qualia Abstraction Language (QAL) models physical systems as evolving streams of introspective units, structured sequences of modality, shape, and functional effect, rather than as state vectors in Hilbert space. This approach reimagines core quantum concepts: superposition becomes a form of structured ambiguity; collapse is reframed as an introspective contraction; and entanglement is modeled as semantic resonance across streams of qualia. Drawing on insights from nominalist philosophy and oversight theoretic limits in AI, we argue that the observer paradox in quantum mechanics reflects not an ontological lacuna, but a linguistic one: the absence of a formal vocabulary for modeling first person structure. QAL introduces such a vocabulary, providing a morphodynamic framework that embeds the observer within the system and replaces abstract projection with endogenous transformation. We analyze the alignment of QAL with endophysical approaches, contrast it with standard interpretations of quantum theory, and explore its implications for a post Platonist, introspectively grounded physics.

Contemporary models of high dimensional physical systems are constrained by the curse of dimensionality and a reliance on dense data. We introduce KHRONOS (Kernel Expansion Hierarchy for Reduced Order, Neural Optimized Surrogates), an AI framework for model based, model free and model inversion tasks. KHRONOS constructs continuously differentiable target fields with a hierarchical composition of per-dimension kernel expansions, which are tensorized into modes and then superposed. We evaluate KHRONOS on a canonical 2D, Poisson equation benchmark: across 16 to 512 degrees of freedom (DoFs), it obtained L_2-square errors of 5e-4 down to 6e-11. This represents a greater than 100-fold gain over Kolmogorov Arnold Networks (which itself reports a 100 times improvement on MLPs/PINNs with 100 times fewer parameters) when controlling for the number of parameters. This also represents a 1e6-fold improvement in L_2-square error compared to standard linear FEM at comparable DoFs. Inference complexity is dominated by inner products, yielding sub-millisecond full-field predictions that scale to an arbitrary resolution. For inverse problems, KHRONOS facilitates rapid, iterative level set recovery in only a few forward evaluations, with sub-microsecond per sample latency. KHRONOS's scalability, expressivity, and interpretability open new avenues in constrained edge computing, online control, computer vision, and beyond.

This paper aims to extend the Structured Knowledge Accumulation (SKA) framework recently proposed by mahi2025ska. We introduce two core concepts: the Tensor Net function and the characteristic time property of neural learning. First, we reinterpret the learning rate as a time step in a continuous system. This transforms neural learning from discrete optimization into continuous-time evolution. We show that learning dynamics remain consistent when the product of learning rate and iteration steps stays constant. This reveals a time-invariant behavior and identifies an intrinsic timescale of the network. Second, we define the Tensor Net function as a measure that captures the relationship between decision probabilities, entropy gradients, and knowledge change. Additionally, we define its zero-crossing as the equilibrium state between decision probabilities and entropy gradients. We show that the convergence of entropy and knowledge flow provides a natural stopping condition, replacing arbitrary thresholds with an information-theoretic criterion. We also establish that SKA dynamics satisfy a variational principle based on the Euler-Lagrange equation. These findings extend SKA into a continuous and self-organizing learning model. The framework links computational learning with physical systems that evolve by natural laws. By understanding learning as a time-based process, we open new directions for building efficient, robust, and biologically-inspired AI systems.

Equilibrium propagation (EP) is a compelling alternative to the backpropagation of error algorithm (BP) for computing gradients of neural networks on biological or analog neuromorphic substrates. Still, the algorithm requires weight symmetry and infinitesimal equilibrium perturbations, i.e., nudges, to estimate unbiased gradients efficiently. Both requirements are challenging to implement in physical systems. Yet, whether and how weight asymmetry affects its applicability is unknown because, in practice, it may be masked by biases introduced through the finite nudge. To address this question, we study generalized EP, which can be formulated without weight symmetry, and analytically isolate the two sources of bias. For complex-differentiable non-symmetric networks, we show that the finite nudge does not pose a problem, as exact derivatives can still be estimated via a Cauchy integral. In contrast, weight asymmetry introduces bias resulting in low task performance due to poor alignment of EP's neuronal error vectors compared to BP. To mitigate this issue, we present a new homeostatic objective that directly penalizes functional asymmetries of the Jacobian at the network's fixed point. This homeostatic objective dramatically improves the network's ability to solve complex tasks such as ImageNet 32x32. Our results lay the theoretical groundwork for studying and mitigating the adverse effects of imperfections of physical networks on learning algorithms that rely on the substrate's relaxation dynamics.

Machine learning-based modeling of physical systems has experienced increased interest in recent years. Despite some impressive progress, there is still a lack of benchmarks for Scientific ML that are easy to use but still challenging and representative of a wide range of problems. We introduce PDEBench, a benchmark suite of time-dependent simulation tasks based on Partial Differential Equations (PDEs). PDEBench comprises both code and data to benchmark the performance of novel machine learning models against both classical numerical simulations and machine learning baselines. Our proposed set of benchmark problems contribute the following unique features: (1) A much wider range of PDEs compared to existing benchmarks, ranging from relatively common examples to more realistic and difficult problems; (2) much larger ready-to-use datasets compared to prior work, comprising multiple simulation runs across a larger number of initial and boundary conditions and PDE parameters; (3) more extensible source codes with user-friendly APIs for data generation and baseline results with popular machine learning models (FNO, U-Net, PINN, Gradient-Based Inverse Method). PDEBench allows researchers to extend the benchmark freely for their own purposes using a standardized API and to compare the performance of new models to existing baseline methods. We also propose new evaluation metrics with the aim to provide a more holistic understanding of learning methods in the context of Scientific ML. With those metrics we identify tasks which are challenging for recent ML methods and propose these tasks as future challenges for the community. The code is available at https://github.com/pdebench/PDEBench.

Here we present a machine learning framework and model implementation that can learn to simulate a wide variety of challenging physical domains, involving fluids, rigid solids, and deformable materials interacting with one another. Our framework---which we term "Graph Network-based Simulators" (GNS)---represents the state of a physical system with particles, expressed as nodes in a graph, and computes dynamics via learned message-passing. Our results show that our model can generalize from single-timestep predictions with thousands of particles during training, to different initial conditions, thousands of timesteps, and at least an order of magnitude more particles at test time. Our model was robust to hyperparameter choices across various evaluation metrics: the main determinants of long-term performance were the number of message-passing steps, and mitigating the accumulation of error by corrupting the training data with noise. Our GNS framework advances the state-of-the-art in learned physical simulation, and holds promise for solving a wide range of complex forward and inverse problems.

The increasing complexity and interconnectivity of digital infrastructures make scalable and reliable security assessment methods essential. Robotic systems represent a particularly important class of operational technology, as modern robots are highly networked cyber-physical systems deployed in domains such as industrial automation, logistics, and autonomous services. This paper explores the use of large language models for automated penetration testing in robotic environments. We propose an environment-grounded multi-agent architecture tailored to Robotics-based systems. The approach dynamically constructs a shared graph-based memory during execution that captures the observable system state, including network topology, communication channels, vulnerabilities, and attempted exploits. This enables structured automation while maintaining traceability and effective context management throughout the testing process. Evaluated across multiple iterations within a specialized robotics Capture-the-Flag scenario (ROS/ROS2), the system demonstrated high reliability, successfully completing the challenge in 100\% of test runs (n=5). This performance significantly exceeds literature benchmarks while maintaining the traceability and human oversight required by frameworks like the EU AI Act.

Quantum technology has the potential to revolutionize how we acquire and process experimental data to learn about the physical world. An experimental setup that transduces data from a physical system to a stable quantum memory, and processes that data using a quantum computer, could have significant advantages over conventional experiments in which the physical system is measured and the outcomes are processed using a classical computer. We prove that, in various tasks, quantum machines can learn from exponentially fewer experiments than those required in conventional experiments. The exponential advantage holds in predicting properties of physical systems, performing quantum principal component analysis on noisy states, and learning approximate models of physical dynamics. In some tasks, the quantum processing needed to achieve the exponential advantage can be modest; for example, one can simultaneously learn about many noncommuting observables by processing only two copies of the system. Conducting experiments with up to 40 superconducting qubits and 1300 quantum gates, we demonstrate that a substantial quantum advantage can be realized using today's relatively noisy quantum processors. Our results highlight how quantum technology can enable powerful new strategies to learn about nature.

Models of many engineering and natural systems are imperfect. The discrepancy between the mathematical representations of a true physical system and its imperfect model is called the model error. These model errors can lead to substantial differences between the numerical solutions of the model and the state of the system, particularly in those involving nonlinear, multi-scale phenomena. Thus, there is increasing interest in reducing model errors, particularly by leveraging the rapidly growing observational data to understand their physics and sources. Here, we introduce a framework named MEDIDA: Model Error Discovery with Interpretability and Data Assimilation. MEDIDA only requires a working numerical solver of the model and a small number of noise-free or noisy sporadic observations of the system. In MEDIDA, first the model error is estimated from differences between the observed states and model-predicted states (the latter are obtained from a number of one-time-step numerical integrations from the previous observed states). If observations are noisy, a data assimilation (DA) technique such as ensemble Kalman filter (EnKF) is employed to provide the analysis state of the system, which is then used to estimate the model error. Finally, an equation-discovery technique, here the relevance vector machine (RVM), a sparsity-promoting Bayesian method, is used to identify an interpretable, parsimonious, and closed-form representation of the model error. Using the chaotic Kuramoto-Sivashinsky (KS) system as the test case, we demonstrate the excellent performance of MEDIDA in discovering different types of structural/parametric model errors, representing different types of missing physics, using noise-free and noisy observations.

We introduce fusion-based quantum computing (FBQC) - a model of universal quantum computation in which entangling measurements, called fusions, are performed on the qubits of small constant-sized entangled resource states. We introduce a stabilizer formalism for analyzing fault tolerance and computation in these schemes. This framework naturally captures the error structure that arises in certain physical systems for quantum computing, such as photonics. FBQC can offer significant architectural simplifications, enabling hardware made up of many identical modules, requiring an extremely low depth of operations on each physical qubit and reducing classical processing requirements. We present two pedagogical examples of fault-tolerant schemes constructed in this framework and numerically evaluate their threshold under a hardware agnostic fusion error model including both erasure and Pauli error. We also study an error model of linear optical quantum computing with probabilistic fusion and photon loss. In FBQC the non-determinism of fusion is directly dealt with by the quantum error correction protocol, along with other errors. We find that tailoring the fault-tolerance framework to the physical system allows the scheme to have a higher threshold than schemes reported in literature. We present a ballistic scheme which can tolerate a 10.4% probability of suffering photon loss in each fusion.

Complementary metal-oxide semiconductor (CMOS) technology has radically reshaped the world by taking humanity to the digital age. Cramming more transistors into the same physical space has enabled an exponential increase in computational performance, a strategy that has been recently hampered by the increasing complexity and cost of miniaturization. To continue achieving significant gains in computing performance, new computing paradigms, such as quantum computing, must be developed. However, finding the optimal physical system to process quantum information, and scale it up to the large number of qubits necessary to build a general-purpose quantum computer, remains a significant challenge. Recent breakthroughs in nanodevice engineering have shown that qubits can now be manufactured in a similar fashion to silicon field-effect transistors, opening an opportunity to leverage the know-how of the CMOS industry to address the scaling challenge. In this article, we focus on the analysis of the scaling prospects of quantum computing systems based on CMOS technology.

The widespread use of neural networks across different scientific domains often involves constraining them to satisfy certain symmetries, conservation laws, or other domain knowledge. Such constraints are often imposed as soft penalties during model training and effectively act as domain-specific regularizers of the empirical risk loss. Physics-informed neural networks is an example of this philosophy in which the outputs of deep neural networks are constrained to approximately satisfy a given set of partial differential equations. In this work we review recent advances in scientific machine learning with a specific focus on the effectiveness of physics-informed neural networks in predicting outcomes of physical systems and discovering hidden physics from noisy data. We will also identify and analyze a fundamental mode of failure of such approaches that is related to numerical stiffness leading to unbalanced back-propagated gradients during model training. To address this limitation we present a learning rate annealing algorithm that utilizes gradient statistics during model training to balance the interplay between different terms in composite loss functions. We also propose a novel neural network architecture that is more resilient to such gradient pathologies. Taken together, our developments provide new insights into the training of constrained neural networks and consistently improve the predictive accuracy of physics-informed neural networks by a factor of 50-100x across a range of problems in computational physics. All code and data accompanying this manuscript are publicly available at https://github.com/PredictiveIntelligenceLab/GradientPathologiesPINNs.

Telerobotics is a key foundation in autonomous Industrial Cyber-Physical Systems (ICPS), enabling remote operations across various domains. However, conventional cloud-based telerobotics suffers from latency, reliability, scalability, and resilience issues, hindering real-time performance in critical applications. Cloud-Fog Telerobotics (CFTel) builds on the Cloud-Fog Automation (CFA) paradigm to address these limitations by leveraging a distributed Cloud-Edge-Robotics computing architecture, enabling deterministic connectivity, deterministic connected intelligence, and deterministic networked computing. This paper synthesizes recent advancements in CFTel, aiming to highlight its role in facilitating scalable, low-latency, autonomous, and AI-driven telerobotics. We analyze architectural frameworks and technologies that enable them, including 5G Ultra-Reliable Low-Latency Communication, Edge Intelligence, Embodied AI, and Digital Twins. The study demonstrates that CFTel has the potential to enhance real-time control, scalability, and autonomy while supporting service-oriented solutions. We also discuss practical challenges, including latency constraints, cybersecurity risks, interoperability issues, and standardization efforts. This work serves as a foundational reference for researchers, stakeholders, and industry practitioners in future telerobotics research.

Partial differential equations (PDEs) are fundamental to modeling physical systems, yet solving them remains a complex challenge. Traditional numerical solvers rely on expert knowledge to implement and are computationally expensive, while neural-network-based solvers require large training datasets and often lack interpretability. In this work, we frame PDE solving as a code generation task and introduce CodePDE, the first inference framework for generating PDE solvers using large language models (LLMs). Leveraging advanced inference-time algorithms and scaling strategies, CodePDE unlocks critical capacities of LLM for PDE solving: reasoning, debugging, selfrefinement, and test-time scaling -- all without task-specific tuning. CodePDE achieves superhuman performance across a range of representative PDE problems. We also present a systematic empirical analysis of LLM generated solvers, analyzing their accuracy, efficiency, and numerical scheme choices. Our findings highlight the promise and the current limitations of LLMs in PDE solving, offering a new perspective on solver design and opportunities for future model development. Our code is available at https://github.com/LithiumDA/CodePDE.

Digital Twins (DT) are a promising concept in cyber-physical systems research due to their advanced features including monitoring and automated reasoning. Semantic technologies such as Knowledge Graphs (KG) are recently being utilized in DTs especially for information modelling. Building on this move, this paper proposes a pipeline for semantic association rule learning in DTs using KGs and time series data. In addition to this initial pipeline, we also propose new semantic association rule criterion. The approach is evaluated on an industrial water network scenario. Initial evaluation shows that the proposed approach is able to learn a high number of association rules with semantic information which are more generalizable. The paper aims to set a foundation for further work on using semantic association rule learning especially in the context of industrial applications.

With their non-Abelian topological charges, real multi-bandgap systems challenge the conventional topological phase classifications. As the minimal sector of multi-bandgap systems, real triple degeneracies (RTPs), which serve as real 'Weyl points', lay the foundation for the research on real topological phases. However, experimental demonstration of physical systems with global band configurations consisting of multiple RTPs in crystals has not been reported. Here we present experimental evidence of RTPs in photonic meta-crystals, characterizing them using the Euler number, and establishing their connection with both Abelian and non-Abelian charges. By considering RTPs as the basic elements, we further propose the concept of a topological compound, akin to a chemical compound, where we find that certain phases are not topologically allowed. The topological classification of RTPs in crystals demonstrated in our work plays a similar role as the 'no-go' theorem in Weyl systems.

Neural operator models trained on simulation data often lose accuracy when applied to experimental measurements due to the sim-to-real gap. Standard fine-tuning with limited real data can reduce this gap, but it may also damage the core physics-relevant representations learned during pretraining. Although knowledge-preserving adaptation has been widely investigated in vision or language tasks, it remains unclear whether these methods are suitable for neural operators whose architectures and protected knowledge are fundamentally different. Neural operators need to preserve core-scale physical structures rather than semantic or visual features. We propose PhysGuard, a physics-preserving framework for accurate sim-to-real adaptation of neural operators. Specifically, PhysGuard uses the empirical Fisher Information Matrix computed on simulation data to identify physics-critical parameter directions, then restricts fine-tuning updates to directions that do not interfere with them. A layer-wise Gram-matrix formulation makes this efficient for models with millions of parameters, while an adaptive threshold automatically determines the protected subspace size. A spectral probe experiment shows that the dominant Fisher directions are strongly associated with low-frequency output structures. Experiments on benchmark across four neural operator architectures and different physical systems show that PhysGuard performs strongly on most evaluation metrics compared to baselines. The benefits are most evident under severe domain shift, where it reduces low-frequency error by up to 32\% compared to standard fine-tuning while maintaining adaptability. Our code is available at https://github.com/ZhouChaunge/PhysGuard.

Spatiotemporal reasoning plays a key role in Cyber-Physical Systems (CPS). Despite advances in Large Language Models (LLMs) and Large Reasoning Models (LRMs), their capacity to reason about complex spatiotemporal signals remains underexplored. This paper proposes a hierarchical SpatioTemporal reAsoning benchmaRK, STARK, to systematically evaluate LLMs across three levels of reasoning complexity: state estimation (e.g., predicting field variables, localizing and tracking events in space and time), spatiotemporal reasoning over states (e.g., inferring spatial-temporal relationships), and world-knowledge-aware reasoning that integrates contextual and domain knowledge (e.g., intent prediction, landmark-aware navigation). We curate 26 distinct spatiotemporal tasks with diverse sensor modalities, comprising 14,552 challenges where models answer directly or by Python Code Interpreter. Evaluating 3 LRMs and 8 LLMs, we find LLMs achieve limited success in tasks requiring geometric reasoning (e.g., multilateration or triangulation), particularly as complexity increases. Surprisingly, LRMs show robust performance across tasks with various levels of difficulty, often competing or surpassing traditional first-principle-based methods. Our results show that in reasoning tasks requiring world knowledge, the performance gap between LLMs and LRMs narrows, with some LLMs even surpassing LRMs. However, the LRM o3 model continues to achieve leading performance across all evaluated tasks, a result attributed primarily to the larger size of the reasoning models. STARK motivates future innovations in model architectures and reasoning paradigms for intelligent CPS by providing a structured framework to identify limitations in the spatiotemporal reasoning of LLMs and LRMs.

Graph Neural Networks (GNNs) have gained significant traction for simulating complex physical systems, with models like MeshGraphNet demonstrating strong performance on unstructured simulation meshes. However, these models face several limitations, including scalability issues, requirement for meshing at inference, and challenges in handling long-range interactions. In this work, we introduce X-MeshGraphNet, a scalable, multi-scale extension of MeshGraphNet designed to address these challenges. X-MeshGraphNet overcomes the scalability bottleneck by partitioning large graphs and incorporating halo regions that enable seamless message passing across partitions. This, combined with gradient aggregation, ensures that training across partitions is equivalent to processing the entire graph at once. To remove the dependency on simulation meshes, X-MeshGraphNet constructs custom graphs directly from tessellated geometry files (e.g., STLs) by generating point clouds on the surface or volume of the object and connecting k-nearest neighbors. Additionally, our model builds multi-scale graphs by iteratively combining coarse and fine-resolution point clouds, where each level refines the previous, allowing for efficient long-range interactions. Our experiments demonstrate that X-MeshGraphNet maintains the predictive accuracy of full-graph GNNs while significantly improving scalability and flexibility. This approach eliminates the need for time-consuming mesh generation at inference, offering a practical solution for real-time simulation across a wide range of applications. The code for reproducing the results presented in this paper is available through NVIDIA Modulus.

We introduce adversarial learning methods for data-driven generative modeling of the dynamics of n^{th}-order stochastic systems. Our approach builds on Generative Adversarial Networks (GANs) with generative model classes based on stable m-step stochastic numerical integrators. We introduce different formulations and training methods for learning models of stochastic dynamics based on observation of trajectory samples. We develop approaches using discriminators based on Maximum Mean Discrepancy (MMD), training protocols using conditional and marginal distributions, and methods for learning dynamic responses over different time-scales. We show how our approaches can be used for modeling physical systems to learn force-laws, damping coefficients, and noise-related parameters. The adversarial learning approaches provide methods for obtaining stable generative models for dynamic tasks including long-time prediction and developing simulations for stochastic systems.

Machine learning models are known to be susceptible to adversarial perturbation. One famous attack is the adversarial patch, a sticker with a particularly crafted pattern that makes the model incorrectly predict the object it is placed on. This attack presents a critical threat to cyber-physical systems that rely on cameras such as autonomous cars. Despite the significance of the problem, conducting research in this setting has been difficult; evaluating attacks and defenses in the real world is exceptionally costly while synthetic data are unrealistic. In this work, we propose the REAP (REalistic Adversarial Patch) benchmark, a digital benchmark that allows the user to evaluate patch attacks on real images, and under real-world conditions. Built on top of the Mapillary Vistas dataset, our benchmark contains over 14,000 traffic signs. Each sign is augmented with a pair of geometric and lighting transformations, which can be used to apply a digitally generated patch realistically onto the sign. Using our benchmark, we perform the first large-scale assessments of adversarial patch attacks under realistic conditions. Our experiments suggest that adversarial patch attacks may present a smaller threat than previously believed and that the success rate of an attack on simpler digital simulations is not predictive of its actual effectiveness in practice. We release our benchmark publicly at https://github.com/wagner-group/reap-benchmark.

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies to compute forces and higher-order derivatives. Furthermore, such densities are often defined on non-trivial topologies. A recent example are Boltzmann Generators for generating 3D-structures of peptides and small proteins. These generative models leverage the space of internal coordinates (dihedrals, angles, and bonds), which is a product of hypertori and compact intervals. In this work, we introduce a class of smooth mixture transformations working on both compact intervals and hypertori. Mixture transformations employ root-finding methods to invert them in practice, which has so far prevented bi-directional flow training. To this end, we show that parameter gradients and forces of such inverses can be computed from forward evaluations via the inverse function theorem. We demonstrate two advantages of such smooth flows: they allow training by force matching to simulation data and can be used as potentials in molecular dynamics simulations.

Mesh-based simulations are central to modeling complex physical systems in many disciplines across science and engineering. Mesh representations support powerful numerical integration methods and their resolution can be adapted to strike favorable trade-offs between accuracy and efficiency. However, high-dimensional scientific simulations are very expensive to run, and solvers and parameters must often be tuned individually to each system studied. Here we introduce MeshGraphNets, a framework for learning mesh-based simulations using graph neural networks. Our model can be trained to pass messages on a mesh graph and to adapt the mesh discretization during forward simulation. Our results show it can accurately predict the dynamics of a wide range of physical systems, including aerodynamics, structural mechanics, and cloth. The model's adaptivity supports learning resolution-independent dynamics and can scale to more complex state spaces at test time. Our method is also highly efficient, running 1-2 orders of magnitude faster than the simulation on which it is trained. Our approach broadens the range of problems on which neural network simulators can operate and promises to improve the efficiency of complex, scientific modeling tasks.

Motivated by the fact that information is encoded and processed by physical systems, the P versus NP problem is examined in terms of physical processes. In particular, we consider P as a class of deterministic, and NP as nondeterministic, polynomial-time physical processes. Based on these identifications, we review a self-reference physical process in quantum theory, which belongs to NP but cannot be contained in P.

The proliferation of applications using artificial intelligence (AI) systems has led to a growing number of users interacting with these systems through sophisticated interfaces. Human-computer interaction research has long shown that interfaces shape both user behavior and user perception of technical capabilities and risks. Yet, practitioners and researchers evaluating the social and ethical risks of AI systems tend to overlook the impact of anthropomorphic, deceptive, and immersive interfaces on human-AI interactions. Here, we argue that design features of interfaces with adaptive AI systems can have cascading impacts, driven by feedback loops, which extend beyond those previously considered. We first conduct a scoping review of AI interface designs and their negative impact to extract salient themes of potentially harmful design patterns in AI interfaces. Then, we propose Design-Enhanced Control of AI systems (DECAI), a conceptual model to structure and facilitate impact assessments of AI interface designs. DECAI draws on principles from control systems theory -- a theory for the analysis and design of dynamic physical systems -- to dissect the role of the interface in human-AI systems. Through two case studies on recommendation systems and conversational language model systems, we show how DECAI can be used to evaluate AI interface designs.

Embodied Artificial Intelligence (AI) is an intelligent system paradigm for achieving Artificial General Intelligence (AGI), serving as the cornerstone for various applications and driving the evolution from cyberspace to physical systems. Recent breakthroughs in Large Language Models (LLMs) and World Models (WMs) have drawn significant attention for embodied AI. On the one hand, LLMs empower embodied AI via semantic reasoning and task decomposition, bringing high-level natural language instructions and low-level natural language actions into embodied cognition. On the other hand, WMs empower embodied AI by building internal representations and future predictions of the external world, facilitating physical law-compliant embodied interactions. As such, this paper comprehensively explores the literature in embodied AI from basics to advances, covering both LLM driven and WM driven works. In particular, we first present the history, key technologies, key components, and hardware systems of embodied AI, as well as discuss its development via looking from unimodal to multimodal angle. We then scrutinize the two burgeoning fields of embodied AI, i.e., embodied AI with LLMs/multimodal LLMs (MLLMs) and embodied AI with WMs, meticulously delineating their indispensable roles in end-to-end embodied cognition and physical laws-driven embodied interactions. Building upon the above advances, we further share our insights on the necessity of the joint MLLM-WM driven embodied AI architecture, shedding light on its profound significance in enabling complex tasks within physical worlds. In addition, we examine representative applications of embodied AI, demonstrating its wide applicability in real-world scenarios. Last but not least, we point out future research directions of embodied AI that deserve further investigation.

Extending discrete-time causal Prior-data Fitted Networks for time series to continuous time invites writing the mechanism as a stochastic differential equation (SDE) -- but if the SDE is integrated once per observation gap, the trajectory law depends on when it is observed, and the prior remains a discrete-time Markov model in SDE clothing. We propose a precise continuity criterion -- trajectory-law invariance to the observation schedule -- together with a three-tier taxonomy (discrete; naive observation-grid integration; fine-grid integration with decoupled observation) and a construction realising the top tier on a random DAG with OU or small-MLP nonlinear drifts, irregular observation schedules, and hard / soft / time-varying interventions. A 2 times 2 encoder times integrator ablation, run independently on a linear and a nonlinear prior, finds fine-grid integration beats naive on 8/8 cells (sign-consistency p < 1/256) with the gap growing as the eval grid refines; the encoder axis is null with fine integration but time-aware-leading with naive. We release the prior and a preliminary zero-shot protocol on pharmacokinetic and physical-system data.

The ability to connect visual patterns with the processes that form them represents one of the deepest forms of visual understanding. Textures of clouds and waves, the growth of cities and forests, or the formation of materials and landscapes are all examples of patterns emerging from underlying mechanisms. We present the Scitextures dataset, a large-scale collection of textures and visual patterns from all domains of science, tech, and art, along with the models and code that generate these images. Covering over 1,200 different models and 100,000 images of patterns and textures from physics, chemistry, biology, sociology, technology, mathematics, and art, this dataset offers a way to explore the connection between the visual patterns that shape our world and the mechanisms that produce them. Created by an agentic AI pipeline that autonomously collects and implements models in standardized form, we use SciTextures to evaluate the ability of leading AI models to link visual patterns to the models and code that generate them, and to identify different patterns that emerged from the same process. We also test AIs ability to infer and recreate the mechanisms behind visual patterns by providing a natural image of a real-world pattern and asking the AI to identify, model, and code the mechanism that formed the pattern, then run this code to generate a simulated image that is compared to the real image. These benchmarks show that vision-language models (VLMs) can understand and simulate the physical system beyond a visual pattern. The dataset and code are available at: https://zenodo.org/records/17485502

Boltzmann generators approach the sampling problem in many-body physics by combining a normalizing flow and a statistical reweighting method to generate samples in thermodynamic equilibrium. The equilibrium distribution is usually defined by an energy function and a thermodynamic state. Here we propose temperature-steerable flows (TSF) which are able to generate a family of probability densities parametrized by a choosable temperature parameter. TSFs can be embedded in generalized ensemble sampling frameworks to sample a physical system across multiple thermodynamic states.

In this paper I apply newly-proposed information-theoretic principles to thermodynamic work extraction. I show that if it is possible to extract work deterministically from a physical system prepared in any one of a set of states, then those states must be distinguishable from one another. This result is formulated independently of scale and of particular dynamical laws; it also provides a novel connection between thermodynamics and information theory, established via the law of conservation of energy (rather than the second law of thermodynamics). Albeit compatible with these conclusions, existing thermodynamics approaches cannot provide a result of such generality, because they are scale-dependent (relying on ensembles or coarse-graining) or tied to particular dynamical laws. This paper thus provides a broader foundation for thermodynamics, with implications for the theory of von Neumann's universal constructor

Digital twins, as precise digital representations of physical systems, have evolved from passive simulation tools into intelligent and autonomous entities through the integration of artificial intelligence technologies. This paper presents a unified four-stage framework that systematically characterizes AI integration across the digital twin lifecycle, spanning modeling, mirroring, intervention, and autonomous management. By synthesizing existing technologies and practices, we distill a unified four-stage framework that systematically characterizes how AI methodologies are embedded across the digital twin lifecycle: (1) modeling the physical twin through physics-based and physics-informed AI approaches, (2) mirroring the physical system into a digital twin with real-time synchronization, (3) intervening in the physical twin through predictive modeling, anomaly detection, and optimization strategies, and (4) achieving autonomous management through large language models, foundation models, and intelligent agents. We analyze the synergy between physics-based modeling and data-driven learning, highlighting the shift from traditional numerical solvers to physics-informed and foundation models for physical systems. Furthermore, we examine how generative AI technologies, including large language models and generative world models, transform digital twins into proactive and self-improving cognitive systems capable of reasoning, communication, and creative scenario generation. Through a cross-domain review spanning eleven application domains, including healthcare, aerospace, smart manufacturing, robotics, and smart cities, we identify common challenges related to scalability, explainability, and trustworthiness, and outline directions for responsible AI-driven digital twin systems.

Deep reinforcement learning (DRL) is a promising approach to solve complex control tasks by learning policies through interactions with the environment. However, the training of DRL policies requires large amounts of training experiences, making it impractical to learn the policy directly on physical systems. Sim-to-real approaches leverage simulations to pretrain DRL policies and then deploy them in the real world. Unfortunately, the direct real-world deployment of pretrained policies usually suffers from performance deterioration due to the different dynamics, known as the reality gap. Recent sim-to-real methods, such as domain randomization and domain adaptation, focus on improving the robustness of the pretrained agents. Nevertheless, the simulation-trained policies often need to be tuned with real-world data to reach optimal performance, which is challenging due to the high cost of real-world samples. This work proposes a distributed cloud-edge architecture to train DRL agents in the real world in real-time. In the architecture, the inference and training are assigned to the edge and cloud, separating the real-time control loop from the computationally expensive training loop. To overcome the reality gap, our architecture exploits sim-to-real transfer strategies to continue the training of simulation-pretrained agents on a physical system. We demonstrate its applicability on a physical inverted-pendulum control system, analyzing critical parameters. The real-world experiments show that our architecture can adapt the pretrained DRL agents to unseen dynamics consistently and efficiently.

In physics, Lagrangians provide a systematic way to describe laws governing physical systems. In the context of particle physics, they encode the interactions and behavior of the fundamental building blocks of our universe. By treating Lagrangians as complex, rule-based constructs similar to linguistic expressions, we trained a transformer model -- proven to be effective in natural language tasks -- to predict the Lagrangian corresponding to a given list of particles. We report on the transformer's performance in constructing Lagrangians respecting the Standard Model SU(3)times SU(2)times U(1) gauge symmetries. The resulting model is shown to achieve high accuracies (over 90\%) with Lagrangians up to six matter fields, with the capacity to generalize beyond the training distribution, albeit within architectural constraints. We show through an analysis of input embeddings that the model has internalized concepts such as group representations and conjugation operations as it learned to generate Lagrangians. We make the model and training datasets available to the community. An interactive demonstration can be found at: https://huggingface.co/spaces/JoseEliel/generate-lagrangians.

Scientific Machine Learning (SciML) is concerned with the development of learned emulators of physical systems governed by partial differential equations (PDE). In application domains such as weather forecasting, molecular dynamics, and inverse design, ML-based surrogate models are increasingly used to augment or replace inefficient and often non-differentiable numerical simulation algorithms. While a number of ML-based methods for approximating the solutions of PDEs have been proposed in recent years, they typically do not adapt to the parameters of the PDEs, making it difficult to generalize to PDE parameters not seen during training. We propose a Channel Attention mechanism guided by PDE Parameter Embeddings (CAPE) component for neural surrogate models and a simple yet effective curriculum learning strategy. The CAPE module can be combined with neural PDE solvers allowing them to adapt to unseen PDE parameters. The curriculum learning strategy provides a seamless transition between teacher-forcing and fully auto-regressive training. We compare CAPE in conjunction with the curriculum learning strategy using a popular PDE benchmark and obtain consistent and significant improvements over the baseline models. The experiments also show several advantages of CAPE, such as its increased ability to generalize to unseen PDE parameters without large increases inference time and parameter count.

Traditional control methods are inadequate in many deployment settings involving control of Cyber-Physical Systems (CPS). In such settings, CPS controllers must operate and respond to unpredictable interactions, conditions, or failure modes. Dealing with such unpredictability requires the use of executive and cognitive control functions that allow for planning and reasoning. Motivated by the sport of drone racing, this dissertation addresses these concerns for state-of-the-art flight control by investigating the use of deep neural networks to bring essential elements of higher-level cognition for constructing low level flight controllers. This thesis reports on the development and release of an open source, full solution stack for building neuro-flight controllers. This stack consists of the methodology for constructing a multicopter digital twin for synthesize the flight controller unique to a specific aircraft, a tuning framework for implementing training environments (GymFC), and a firmware for the world's first neural network supported flight controller (Neuroflight). GymFC's novel approach fuses together the digital twinning paradigm for flight control training to provide seamless transfer to hardware. Additionally, this thesis examines alternative reward system functions as well as changes to the software environment to bridge the gap between the simulation and real world deployment environments. Work summarized in this thesis demonstrates that reinforcement learning is able to be leveraged for training neural network controllers capable, not only of maintaining stable flight, but also precision aerobatic maneuvers in real world settings. As such, this work provides a foundation for developing the next generation of flight control systems.

We present a theory of information expressed solely in terms of which transformations of physical systems are possible and which are impossible - i.e. in constructor-theoretic terms. Although it includes conjectured laws of physics that are directly about information, independently of the details of particular physical instantiations, it does not regard information as an a priori mathematical or logical concept, but as something whose nature and properties are determined by the laws of physics alone. It does not suffer from the circularity at the foundations of existing information theory (namely that information and distinguishability are each defined in terms of the other). It explains the relationship between classical and quantum information, and reveals the single, constructor-theoretic property underlying the most distinctive phenomena associated with the latter, including the lack of in-principle distinguishability of some states, the impossibility of cloning, the existence of pairs of variables that cannot simultaneously have sharp values, the fact that measurement processes can be both deterministic and unpredictable, the irreducible perturbation caused by measurement, and entanglement (locally inaccessible information).

The Industry 4.0 refers to a industrial ecology which will merge the information system, physical system and service system into an integrate platform. Since now the industrial designers either conceive the physical part of products, or design the User Interfaces of computer systems, the new industrial ecology will give them a chance to redefine their roles in R&D work-flow. In this paper we discussed the required qualities of industrial designer in the new era, according to an investigation among Chinese enterprises. Additionally, how to promote these qualities though educational program.

Neural operators have proven to be a promising approach for modeling spatiotemporal systems in the physical sciences. However, training these models for large systems can be quite challenging as they incur significant computational and memory expense -- these systems are often forced to rely on autoregressive time-stepping of the neural network to predict future temporal states. While this is effective in managing costs, it can lead to uncontrolled error growth over time and eventual instability. We analyze the sources of this autoregressive error growth using prototypical neural operator models for physical systems and explore ways to mitigate it. We introduce architectural and application-specific improvements that allow for careful control of instability-inducing operations within these models without inflating the compute/memory expense. We present results on several scientific systems that include Navier-Stokes fluid flow, rotating shallow water, and a high-resolution global weather forecasting system. We demonstrate that applying our design principles to neural operators leads to significantly lower errors for long-term forecasts as well as longer time horizons without qualitative signs of divergence compared to the original models for these systems. We open-source our https://github.com/mikemccabe210/stabilizing_neural_operators{code} for reproducibility.

Large Language Models (LLMs) show potential for complex reasoning, yet their capacity for emergent coordination in Multi-Agent Systems (MAS) when operating under strict constraints-such as limited local perception and communication, characteristic of natural swarms-remains largely unexplored, particularly concerning the nuances of swarm intelligence. Existing benchmarks often do not fully capture the unique challenges of decentralized coordination that arise when agents operate with incomplete spatio-temporal information. To bridge this gap, we introduce SwarmBench, a novel benchmark designed to systematically evaluate the swarm intelligence capabilities of LLMs acting as decentralized agents. SwarmBench features five foundational MAS coordination tasks within a configurable 2D grid environment, forcing agents to rely primarily on local sensory input (k x k view) and local communication. We propose metrics for coordination effectiveness and analyze emergent group dynamics. Evaluating several leading LLMs in a zero-shot setting, we find significant performance variations across tasks, highlighting the difficulties posed by local information constraints. While some coordination emerges, results indicate limitations in robust planning and strategy formation under uncertainty in these decentralized scenarios. Assessing LLMs under swarm-like conditions is crucial for realizing their potential in future decentralized systems. We release SwarmBench as an open, extensible toolkit-built upon a customizable and scalable physical system with defined mechanical properties. It provides environments, prompts, evaluation scripts, and the comprehensive experimental datasets generated, aiming to foster reproducible research into LLM-based MAS coordination and the theoretical underpinnings of Embodied MAS. Our code repository is available at https://github.com/x66ccff/swarmbench.

The rise of autonomous AI agents suggests that dynamic benchmark environments with built-in feedback on scientifically grounded tasks are needed to evaluate the capabilities of these agents in research work. We introduce Stargazer, a scalable environment for evaluating AI agents on dynamic, iterative physics-grounded model-fitting tasks using inference on radial-velocity (RV) time series data. Stargazer comprises 120 tasks across three difficulty tiers, including 20 real archival cases, covering diverse scenarios ranging from high-SNR single-planet systems to complex multi-planetary configurations requiring involved low-SNR analysis. Our evaluation of eight frontier agents reveals a gap between numerical optimization and adherence to physical constraints: although agents often achieve a good statistical fit, they frequently fail to recover correct physical system parameters, a limitation that persists even when agents are equipped with vanilla skills. Furthermore, increasing test-time compute yields only marginal gains, with excessive token usage often reflecting recursive failure loops rather than meaningful exploration. Stargazer presents an opportunity to train, evaluate, scaffold, and scale strategies on a model-fitting problem of practical research relevance today. Our methodology to design a simulation-driven environment for AI agents presumably generalizes to many other model-fitting problems across scientific domains. Source code and the project website are available at https://github.com/Gudmorning2025/Stargazer and https://gudmorning2025.github.io/Stargazer, respectively.

Faithfully reconstructing textured shapes and physical properties from videos presents an intriguing yet challenging problem. Significant efforts have been dedicated to advancing such a system identification problem in this area. Previous methods often rely on heavy optimization pipelines with a differentiable simulator and renderer to estimate physical parameters. However, these approaches frequently necessitate extensive hyperparameter tuning for each scene and involve a costly optimization process, which limits both their practicality and generalizability. In this work, we propose a novel framework, Vid2Sim, a generalizable video-based approach for recovering geometry and physical properties through a mesh-free reduced simulation based on Linear Blend Skinning (LBS), offering high computational efficiency and versatile representation capability. Specifically, Vid2Sim first reconstructs the observed configuration of the physical system from video using a feed-forward neural network trained to capture physical world knowledge. A lightweight optimization pipeline then refines the estimated appearance, geometry, and physical properties to closely align with video observations within just a few minutes. Additionally, after the reconstruction, Vid2Sim enables high-quality, mesh-free simulation with high efficiency. Extensive experiments demonstrate that our method achieves superior accuracy and efficiency in reconstructing geometry and physical properties from video data.

Recently, neural networks have been extensively employed to solve partial differential equations (PDEs) in physical system modeling. While major studies focus on learning system evolution on predefined static mesh discretizations, some methods utilize reinforcement learning or supervised learning techniques to create adaptive and dynamic meshes, due to the dynamic nature of these systems. However, these approaches face two primary challenges: (1) the need for expensive optimal mesh data, and (2) the change of the solution space's degree of freedom and topology during mesh refinement. To address these challenges, this paper proposes a neural PDE solver with a neural mesh adapter. To begin with, we introduce a novel data-free neural mesh adaptor, called Data-free Mesh Mover (DMM), with two main innovations. Firstly, it is an operator that maps the solution to adaptive meshes and is trained using the Monge-Amp\`ere equation without optimal mesh data. Secondly, it dynamically changes the mesh by moving existing nodes rather than adding or deleting nodes and edges. Theoretical analysis shows that meshes generated by DMM have the lowest interpolation error bound. Based on DMM, to efficiently and accurately model dynamic systems, we develop a moving mesh based neural PDE solver (MM-PDE) that embeds the moving mesh with a two-branch architecture and a learnable interpolation framework to preserve information within the data. Empirical experiments demonstrate that our method generates suitable meshes and considerably enhances accuracy when modeling widely considered PDE systems. The code can be found at: https://github.com/Peiyannn/MM-PDE.git.

Recent advances in deep learning for physics have focused on discovering shared representations of target systems by incorporating physics priors or inductive biases into neural networks. While effective, these methods are limited to the system domain, where the type of system remains consistent and thus cannot ensure the adaptation to new, or unseen physical systems governed by different laws. For instance, a neural network trained on a mass-spring system cannot guarantee accurate predictions for the behavior of a two-body system or any other system with different physical laws. In this work, we take a significant leap forward by targeting cross domain generalization within the field of Hamiltonian dynamics. We model our system with a graph neural network and employ a meta learning algorithm to enable the model to gain experience over a distribution of tasks and make it adapt to new physics. Our approach aims to learn a unified Hamiltonian representation that is generalizable across multiple system domains, thereby overcoming the limitations of system-specific models. Our results demonstrate that the meta-trained model not only adapts effectively to new systems but also captures a generalized Hamiltonian representation that is consistent across different physical domains. Overall, through the use of meta learning, we offer a framework that achieves cross domain generalization, providing a step towards a unified model for understanding a wide array of dynamical systems via deep learning.

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis can be used when systems undergo low-frequency vibrations. In the case of fast dynamics and wave propagation, we investigate a random generator of boundary conditions for fast submodels by using machine learning. We show that the use of non-linear techniques in machine learning and data-driven methods is highly relevant. Physics-informed neural networks is a possible choice for a data-driven method to replace linear modal analysis. An architecture that support a random component is necessary for the construction of the stochastic model of the physical system for non-parametric uncertainties, since the goal is to learn the underlying probabilistic distribution of uncertainty in the data. Generative Adversarial Networks (GANs) are suited for such applications, where the Wasserstein-GAN with gradient penalty variant offers improved convergence results for our problem. The objective of our approach is to train a GAN on data from a finite element method code (Fenics) so as to extract stochastic boundary conditions for faster finite element predictions on a submodel. The submodel and the training data have both the same geometrical support. It is a zone of interest for uncertainty quantification and relevant to engineering purposes. In the exploitation phase, the framework can be viewed as a randomized and parametrized simulation generator on the submodel, which can be used as a Monte Carlo estimator.

Data-driven approaches have revolutionized 3D vision, enabling transformers to effectively reconstruct and generate static 3D objects. However, generating simulative 4D dynamics -- realistic temporal deformations of static objects under various physical conditions -- remains challenging and often ad hoc, despite its importance in building comprehensive 3D world models. Most existing methods assume a predefined physical model and use system identification to estimate parameters, restricting these methods to specific categories and small-scale datasets. We propose that these restrictions can be overcome by learning a data-driven kinematic state parameterization for object-centric physical systems. Specifically, we learn both a latent space representing all possible states of the object and a decoder that maps any sampled latent to a plausibly deformed shape of the object. We refer to this parameterization as Neural Object Kinematics (NeuROK), and learn a transformer-based encoder-decoder model on a curated large-scale 4D dataset. This formulation and the learned model significantly simplify the generation of simulative dynamics since we only need to consider the dynamics within a low-dimensional latent space from the Lagrangian mechanics' perspective in classical physics. We demonstrate the effectiveness and generality of this neural simulation framework across diverse dynamic object types, showing clear advantages over prior works. Project page: https://chen-geng.com/neurok

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.

Multi-Resolution Hash Encoding (MHE), the foundational technique behind Instant Neural Graphics Primitives, provides a powerful parameterization for neural fields. However, its spatial behavior lacks rigorous understanding from a physical systems perspective, leading to reliance on heuristics for hyperparameter selection. This work introduces a novel analytical approach that characterizes MHE by examining its Point Spread Function (PSF), which is analogous to the Green's function of the system. This methodology enables a quantification of the encoding's spatial resolution and fidelity. We derive a closed-form approximation for the collision-free PSF, uncovering inherent grid-induced anisotropy and a logarithmic spatial profile. We establish that the idealized spatial bandwidth, specifically the Full Width at Half Maximum (FWHM), is determined by the average resolution, N_{avg}. This leads to a counterintuitive finding: the effective resolution of the model is governed by the broadened empirical FWHM (and therefore N_{avg}), rather than the finest resolution N_{max}, a broadening effect we demonstrate arises from optimization dynamics. Furthermore, we analyze the impact of finite hash capacity, demonstrating how collisions introduce speckle noise and degrade the Signal-to-Noise Ratio (SNR). Leveraging these theoretical insights, we propose Rotated MHE (R-MHE), an architecture that applies distinct rotations to the input coordinates at each resolution level. R-MHE mitigates anisotropy while maintaining the efficiency and parameter count of the original MHE. This study establishes a methodology based on physical principles that moves beyond heuristics to characterize and optimize MHE.

We propose an extension of Thompson sampling to optimization problems over function spaces where the objective is a known functional of an unknown operator's output. We assume that queries to the operator (such as running a high-fidelity simulator or physical experiment) are costly, while functional evaluations on the operator's output are inexpensive. Our algorithm employs a sample-then-optimize approach using neural operator surrogates. This strategy avoids explicit uncertainty quantification by treating trained neural operators as approximate samples from a Gaussian process (GP) posterior. We derive regret bounds and theoretical results connecting neural operators with GPs in infinite-dimensional settings. Experiments benchmark our method against other Bayesian optimization baselines on functional optimization tasks involving partial differential equations of physical systems, demonstrating better sample efficiency and significant performance gains.

A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs

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

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

We introduce Tadpole, a novel foundation model for three-dimensional partial differential equations (PDEs) that addresses key challenges in transferability, scalability to high dimensionality, and multi-functionality. Tadpole is pre-trained as an autoencoder on synthetic 3D PDE data generated by an efficient online data-generation framework. This enables large-scale, diverse training without storage or I/O overhead, demonstrated by scaling to an equivalent of hundreds of terabytes of training data. By autoencoding single-channel spatial crops, Tadpole learns rich and transferable representations across heterogeneous physical systems with varying numbers of state variables and spatial resolutions. Although pre-trained solely as an autoencoder, Tadpole can be efficiently applied for multiple downstream tasks beyond reconstruction, including dynamics learning and generative modeling. For dynamics learning, we propose a novel parameter-efficient fine-tuning strategy that integrates low-rank adaptation, latent-space transformations, and reintroduced skip connections, achieving accurate temporal modeling with a minimal number of trainable parameters. Tadpole demonstrates strong fine-tuning performance across various downstream tasks, highlighting its versatility and effectiveness as a foundation model for 3D PDE learning. Source code and pre-trained weights of Tadpole are available at https://github.com/tum-pbs/tadpole

Signal Temporal Logic (STL) is a powerful formal language for specifying real-time specifications of Cyber-Physical Systems (CPS). Transforming specifications written in natural language into STL formulas automatically has attracted increasing attention. Existing rule-based methods depend heavily on rigid pattern matching and domain-specific knowledge, limiting their generalizability and scalability. Recently, Supervised Fine-Tuning (SFT) of large language models (LLMs) has been successfully applied to transform natural language into STL. However, the lack of fine-grained supervision on atomic proposition correctness, semantic fidelity, and formula readability often leads SFT-based methods to produce formulas misaligned with the intended meaning. To address these issues, we propose RESTL, a reinforcement learning (RL)-based framework for the transformation from natural language to STL. RESTL introduces multiple independently trained reward models that provide fine-grained, multi-faceted feedback from four perspectives, i.e., atomic proposition consistency, semantic alignment, formula succinctness, and symbol matching. These reward models are trained with a curriculum learning strategy to improve their feedback accuracy, and their outputs are aggregated into a unified signal that guides the optimization of the STL generator via Proximal Policy Optimization (PPO). Experimental results demonstrate that RESTL significantly outperforms state-of-the-art methods in both automatic metrics and human evaluations.

We introduce Small PDE U-Net Solver (SPUS), a compact and efficient foundation model (FM) designed as a unified neural operator for solving a wide range of partial differential equations (PDEs). Unlike existing state-of-the-art PDE FMs-primarily based on large complex transformer architectures with high computational and parameter overhead-SPUS leverages a lightweight residual U-Net-based architecture that has been largely underexplored as a foundation model architecture in this domain. To enable effective learning in this minimalist framework, we utilize a simple yet powerful auto-regressive pretraining strategy which closely replicates the behavior of numerical solvers to learn the underlying physics. SPUS is pretrained on a diverse set of fluid dynamics PDEs and evaluated across 6 challenging unseen downstream PDEs spanning various physical systems. Experimental results demonstrate that SPUS using residual U-Net based architecture achieves state-of-the-art generalization on these downstream tasks while requiring significantly fewer parameters and minimal fine-tuning data, highlighting its potential as a highly parameter-efficient FM for solving diverse PDE systems.

Large Language Models (LLMs) have demonstrated strong performance across general NLP tasks, but their utility in automating numerical experiments of complex physical system -- a critical and labor-intensive component -- remains underexplored. As the major workhorse of computational science over the past decades, Computational Fluid Dynamics (CFD) offers a uniquely challenging testbed for evaluating the scientific capabilities of LLMs. We introduce CFDLLMBench, a benchmark suite comprising three complementary components -- CFDQuery, CFDCodeBench, and FoamBench -- designed to holistically evaluate LLM performance across three key competencies: graduate-level CFD knowledge, numerical and physical reasoning of CFD, and context-dependent implementation of CFD workflows. Grounded in real-world CFD practices, our benchmark combines a detailed task taxonomy with a rigorous evaluation framework to deliver reproducible results and quantify LLM performance across code executability, solution accuracy, and numerical convergence behavior. CFDLLMBench establishes a solid foundation for the development and evaluation of LLM-driven automation of numerical experiments for complex physical systems. Code and data are available at https://github.com/NREL-Theseus/cfdllmbench/.

Self-attention scales quadratically with input size, limiting its use for large-scale physical systems. Although sparse attention mechanisms provide a viable alternative, they are primarily designed for regular structures such as text or images, making them inapplicable for irregular geometries. In this work, we present Ball Sparse Attention (BSA), which adapts Native Sparse Attention (NSA) (Yuan et al., 2025) to unordered point sets by imposing regularity using the Ball Tree structure from the Erwin Transformer (Zhdanov et al., 2025). We modify NSA's components to work with ball-based neighborhoods, yielding a global receptive field at sub-quadratic cost. On an airflow pressure prediction task, we achieve accuracy comparable to Full Attention while significantly reducing the theoretical computational complexity. Our implementation is available at https://github.com/britacatalin/bsa.

Learning complex dynamics driven by partial differential equations directly from data holds great promise for fast and accurate simulations of complex physical systems. In most cases, this problem can be formulated as an operator learning task, where one aims to learn the operator representing the physics of interest, which entails discretization of the continuous system. However, preserving key continuous properties at the discrete level, such as boundary conditions, and addressing physical systems with complex geometries is challenging for most existing approaches. We introduce a family of operator learning architectures, structure-preserving operator networks (SPONs), that allows to preserve key mathematical and physical properties of the continuous system by leveraging finite element (FE) discretizations of the input-output spaces. SPONs are encode-process-decode architectures that are end-to-end differentiable, where the encoder and decoder follows from the discretizations of the input-output spaces. SPONs can operate on complex geometries, enforce certain boundary conditions exactly, and offer theoretical guarantees. Our framework provides a flexible way of devising structure-preserving architectures tailored to specific applications, and offers an explicit trade-off between performance and efficiency, all thanks to the FE discretization of the input-output spaces. Additionally, we introduce a multigrid-inspired SPON architecture that yields improved performance at higher efficiency. Finally, we release a software to automate the design and training of SPON architectures.

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

We design a physics-aware auto-encoder to specifically reduce the dimensionality of solutions arising from convection-dominated nonlinear physical systems. Although existing nonlinear manifold learning methods seem to be compelling tools to reduce the dimensionality of data characterized by a large Kolmogorov n-width, they typically lack a straightforward mapping from the latent space to the high-dimensional physical space. Moreover, the realized latent variables are often hard to interpret. Therefore, many of these methods are often dismissed in the reduced order modeling of dynamical systems governed by the partial differential equations (PDEs). Accordingly, we propose an auto-encoder type nonlinear dimensionality reduction algorithm. The unsupervised learning problem trains a diffeomorphic spatio-temporal grid, that registers the output sequence of the PDEs on a non-uniform parameter/time-varying grid, such that the Kolmogorov n-width of the mapped data on the learned grid is minimized. We demonstrate the efficacy and interpretability of our approach to separate convection/advection from diffusion/scaling on various manufactured and physical systems.

Recent advances in scientific machine learning (SciML) have enabled neural operators (NOs) to serve as powerful surrogates for modeling the dynamic evolution of physical systems governed by partial differential equations (PDEs). While existing approaches focus primarily on learning simulations from the target PDE, they often overlook more fundamental physical principles underlying these equations. Inspired by how numerical solvers are compatible with simulations of different settings of PDEs, we propose a multiphysics training framework that jointly learns from both the original PDEs and their simplified basic forms. Our framework enhances data efficiency, reduces predictive errors, and improves out-of-distribution (OOD) generalization, particularly in scenarios involving shifts of physical parameters and synthetic-to-real transfer. Our method is architecture-agnostic and demonstrates consistent improvements in normalized root mean square error (nRMSE) across a wide range of 1D/2D/3D PDE problems. Through extensive experiments, we show that explicit incorporation of fundamental physics knowledge significantly strengthens the generalization ability of neural operators. We will release models and codes at https://sites.google.com/view/sciml-fundemental-pde.

What mathematical functions do neural network components learn? Symbolic distillation addresses this question by expressing neural network components with interpretable, closed-form mathematical expressions that expose the functional structure learned during training. We develop symbolic distillation as a systematic, architecture-agnostic methodology, and release our approach as the open-source SymTorch package - a PySR-powered library built natively for the PyTorch ecosystem. Applying this methodology across diverse architectures, we find that SymTorch is successful in the automated discovery of physical laws. Specifically, our approach (1) recovers pairwise interaction forces from graph neural networks trained on empirical n-body observations, (2) distills the exact closed-form PDE/ODE solutions of multiple physical systems, including the value of constants, from physics-informed neural networks trained on sparse data, and (3) uncovers the chaotic dynamics of the Lorenz system from high-dimensional data, ultimately outperforming the base neural network on downstream prediction tasks. We further demonstrate the utility of our framework for model interpretability by providing an optimized implementation of SLIME - a symbolic extension to the LIME explainability method. SLIME consistently outperforms LIME across predictive metrics across eight popular classification and regression benchmarks, while still providing an interpretable local symbolic model. Lastly, we investigate replacing transformer MLP layers with symbolic surrogates: replacing 1-7 layers with symbolic approximations yields 2-19\% throughput improvements and up to 18.7\% VRAM reduction, with the resulting hybrid models lying on the Pareto front of throughput versus perplexity among open-source LLMs of comparable scale.

The integration of power electronic converters (PECs) and distributed energy resources (DERs) in modern power systems has introduced dynamism and complexity. Accurate simulation becomes essential to comprehend the influence of converter domination on the power grid. This study addresses the fast-switching and stochastic behaviors exhibited by inverter-based resources in converter-dominated power systems, highlighting the necessity for precise analytical models. In the realm of modeling real-world systems, multiple methodologies exist. Notably, black-box and data-driven system identification techniques are employed to construct PEC models using experimental data, without relying on a priori knowledge of the internal system physics. This approach entails a systematic process of model class selection, parameter estimation, and model validation. While a range of linear and nonlinear model structures and estimation algorithms are at our disposal, it remains imperative to harness creativity and a profound understanding of the physical system to craft data-driven models that align seamlessly with their intended applications. These applications may encompass simulation, prediction, control, or fault detection. This report offers valuable insights into the collection of datasets from commercial off-the-shelf inverters, along with the presentation of intricate simulation models.

Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well. The code and data is available at https://github.com/PolymathicAI/the_well.

The enduring legacy of Euclidean geometry underpins classical machine learning, which, for decades, has been primarily developed for data lying in Euclidean space. Yet, modern machine learning increasingly encounters richly structured data that is inherently nonEuclidean. This data can exhibit intricate geometric, topological and algebraic structure: from the geometry of the curvature of space-time, to topologically complex interactions between neurons in the brain, to the algebraic transformations describing symmetries of physical systems. Extracting knowledge from such non-Euclidean data necessitates a broader mathematical perspective. Echoing the 19th-century revolutions that gave rise to non-Euclidean geometry, an emerging line of research is redefining modern machine learning with non-Euclidean structures. Its goal: generalizing classical methods to unconventional data types with geometry, topology, and algebra. In this review, we provide an accessible gateway to this fast-growing field and propose a graphical taxonomy that integrates recent advances into an intuitive unified framework. We subsequently extract insights into current challenges and highlight exciting opportunities for future development in this field.

Simulated humanoids are an appealing research domain due to their physical capabilities. Nonetheless, they are also challenging to control, as a policy must drive an unstable, discontinuous, and high-dimensional physical system. One widely studied approach is to utilize motion capture (MoCap) data to teach the humanoid agent low-level skills (e.g., standing, walking, and running) that can then be re-used to synthesize high-level behaviors. However, even with MoCap data, controlling simulated humanoids remains very hard, as MoCap data offers only kinematic information. Finding physical control inputs to realize the demonstrated motions requires computationally intensive methods like reinforcement learning. Thus, despite the publicly available MoCap data, its utility has been limited to institutions with large-scale compute. In this work, we dramatically lower the barrier for productive research on this topic by training and releasing high-quality agents that can track over three hours of MoCap data for a simulated humanoid in the dm_control physics-based environment. We release MoCapAct (Motion Capture with Actions), a dataset of these expert agents and their rollouts, which contain proprioceptive observations and actions. We demonstrate the utility of MoCapAct by using it to train a single hierarchical policy capable of tracking the entire MoCap dataset within dm_control and show the learned low-level component can be re-used to efficiently learn downstream high-level tasks. Finally, we use MoCapAct to train an autoregressive GPT model and show that it can control a simulated humanoid to perform natural motion completion given a motion prompt. Videos of the results and links to the code and dataset are available at https://microsoft.github.io/MoCapAct.

We propose PROSE-FD, a zero-shot multimodal PDE foundational model for simultaneous prediction of heterogeneous two-dimensional physical systems related to distinct fluid dynamics settings. These systems include shallow water equations and the Navier-Stokes equations with incompressible and compressible flow, regular and complex geometries, and different buoyancy settings. This work presents a new transformer-based multi-operator learning approach that fuses symbolic information to perform operator-based data prediction, i.e. non-autoregressive. By incorporating multiple modalities in the inputs, the PDE foundation model builds in a pathway for including mathematical descriptions of the physical behavior. We pre-train our foundation model on 6 parametric families of equations collected from 13 datasets, including over 60K trajectories. Our model outperforms popular operator learning, computer vision, and multi-physics models, in benchmark forward prediction tasks. We test our architecture choices with ablation studies.

The expressive power of Graph Neural Networks (GNNs) has been studied extensively through the Weisfeiler-Leman (WL) graph isomorphism test. However, standard GNNs and the WL framework are inapplicable for geometric graphs embedded in Euclidean space, such as biomolecules, materials, and other physical systems. In this work, we propose a geometric version of the WL test (GWL) for discriminating geometric graphs while respecting the underlying physical symmetries: permutations, rotation, reflection, and translation. We use GWL to characterise the expressive power of geometric GNNs that are invariant or equivariant to physical symmetries in terms of distinguishing geometric graphs. GWL unpacks how key design choices influence geometric GNN expressivity: (1) Invariant layers have limited expressivity as they cannot distinguish one-hop identical geometric graphs; (2) Equivariant layers distinguish a larger class of graphs by propagating geometric information beyond local neighbourhoods; (3) Higher order tensors and scalarisation enable maximally powerful geometric GNNs; and (4) GWL's discrimination-based perspective is equivalent to universal approximation. Synthetic experiments supplementing our results are available at https://github.com/chaitjo/geometric-gnn-dojo

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

Integrating and processing information from various sources or modalities are critical for obtaining a comprehensive and accurate perception of the real world in autonomous systems and cyber-physical systems. Drawing inspiration from neuroscience, we develop the Information-Theoretic Hierarchical Perception (ITHP) model, which utilizes the concept of information bottleneck. Different from most traditional fusion models that incorporate all modalities identically in neural networks, our model designates a prime modality and regards the remaining modalities as detectors in the information pathway, serving to distill the flow of information. Our proposed perception model focuses on constructing an effective and compact information flow by achieving a balance between the minimization of mutual information between the latent state and the input modal state, and the maximization of mutual information between the latent states and the remaining modal states. This approach leads to compact latent state representations that retain relevant information while minimizing redundancy, thereby substantially enhancing the performance of multimodal representation learning. Experimental evaluations on the MUStARD, CMU-MOSI, and CMU-MOSEI datasets demonstrate that our model consistently distills crucial information in multimodal learning scenarios, outperforming state-of-the-art benchmarks. Remarkably, on the CMU-MOSI dataset, ITHP surpasses human-level performance in the multimodal sentiment binary classification task across all evaluation metrics (i.e., Binary Accuracy, F1 Score, Mean Absolute Error, and Pearson Correlation).

In this study, we propose a multi branched network approach to predict the dynamics of a physics attractor characterized by intricate and chaotic behavior. We introduce a unique neural network architecture comprised of Radial Basis Function (RBF) layers combined with an attention mechanism designed to effectively capture nonlinear inter-dependencies inherent in the attractor's temporal evolution. Our results demonstrate successful prediction of the attractor's trajectory across 100 predictions made using a real-world dataset of 36,700 time-series observations encompassing approximately 28 minutes of activity. To further illustrate the performance of our proposed technique, we provide comprehensive visualizations depicting the attractor's original and predicted behaviors alongside quantitative measures comparing observed versus estimated outcomes. Overall, this work showcases the potential of advanced machine learning algorithms in elucidating hidden structures in complex physical systems while offering practical applications in various domains requiring accurate short-term forecasting capabilities.

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

We introduce marginalization models (MaMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling with tractable likelihoods by explicitly modeling all induced marginal distributions. Marginalization models enable fast evaluation of arbitrary marginal probabilities with a single forward pass of the neural network, which overcomes a major limitation of methods with exact marginal inference, such as autoregressive models (ARMs). We propose scalable methods for learning the marginals, grounded in the concept of "marginalization self-consistency". Unlike previous methods, MaMs support scalable training of any-order generative models for high-dimensional problems under the setting of energy-based training, where the goal is to match the learned distribution to a given desired probability (specified by an unnormalized (log) probability function such as energy function or reward function). We demonstrate the effectiveness of the proposed model on a variety of discrete data distributions, including binary images, language, physical systems, and molecules, for maximum likelihood and energy-based training settings. MaMs achieve orders of magnitude speedup in evaluating the marginal probabilities on both settings. For energy-based training tasks, MaMs enable any-order generative modeling of high-dimensional problems beyond the capability of previous methods. Code is at https://github.com/PrincetonLIPS/MaM.

We develop tools for explicitly constructing categories enriched over generating data and that compose via ordinary scalar and matrix arithmetic arithmetic operations. We characterize meaningful size maps, weightings, and magnitude that reveal features analogous to outliers that these same notions have previously been shown to reveal in the context of metric spaces. Throughout, we provide examples of such "outlier detection" relevant to the analysis of computer programs, neural networks, cyber-physical systems, and networks of communications channels.

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

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

While the popularity of physics-informed neural networks (PINNs) is steadily rising, to this date PINNs have not been successful in simulating dynamical systems whose solution exhibits multi-scale, chaotic or turbulent behavior. In this work we attribute this shortcoming to the inability of existing PINNs formulations to respect the spatio-temporal causal structure that is inherent to the evolution of physical systems. We argue that this is a fundamental limitation and a key source of error that can ultimately steer PINN models to converge towards erroneous solutions. We address this pathology by proposing a simple re-formulation of PINNs loss functions that can explicitly account for physical causality during model training. We demonstrate that this simple modification alone is enough to introduce significant accuracy improvements, as well as a practical quantitative mechanism for assessing the convergence of a PINNs model. We provide state-of-the-art numerical results across a series of benchmarks for which existing PINNs formulations fail, including the chaotic Lorenz system, the Kuramoto-Sivashinsky equation in the chaotic regime, and the Navier-Stokes equations in the turbulent regime. To the best of our knowledge, this is the first time that PINNs have been successful in simulating such systems, introducing new opportunities for their applicability to problems of industrial complexity.

Classification algorithms have recently found applications in computational physics for the selection of numerical methods or models adapted to the environment and the state of the physical system. For such classification tasks, labeled training data come from numerical simulations and generally correspond to physical fields discretized on a mesh. Three challenging difficulties arise: the lack of training data, their high dimensionality, and the non-applicability of common data augmentation techniques to physics data. This article introduces two algorithms to address these issues, one for dimensionality reduction via feature selection, and one for data augmentation. These algorithms are combined with a wide variety of classifiers for their evaluation. When combined with a stacking ensemble made of six multilayer perceptrons and a ridge logistic regression, they enable reaching an accuracy of 90% on our classification problem for nonlinear structural mechanics.