We introduce PAT3D, the first physics-augmented text-to-3D scene generation framework that integrates vision–language models with physics-based simulation to produce physically plausible, simulation-ready, and intersection-free 3D scenes. Given a text prompt, PAT3D generates 3D objects, infers their spatial relations, and organizes them into a hierarchical scene tree, which is then converted into initial simulation conditions. A rigid-body simulator ensures realistic object interactions under gravity, driving the scene toward static equilibrium without interpenetrations. To further enhance scene quality, we introduce a simulation-in-the-loop optimization procedure that guarantees physical stability and non-intersection, while improving semantic consistency with the input prompt. Experiments demonstrate that PAT3D substantially outperforms prior approaches in physical plausibility, semantic accuracy, and visual quality. Beyond high-quality generation, PAT3D uniquely enables simulation-ready 3D scenes for downstream tasks such as scene editing and robotic manipulation. Our code and data are available at https://github.com/Simulation-Intelligence/PAT3D.
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Applications · Health
Prostate cancer is one of the most common and lethal cancers among men, making its early detection critically important. Ultrasound computed tomography (USCT) has emerged as an accessible and cost-effective method that reconstructs quantitative tissue parameters, which can serve as potential biomarkers for malignancy. However, current prostate USCT faces considerable barriers: limited-angle acquisitions due to anatomical constraints, tissue heterogeneity, proximity to organs and bony pelvic structures, and lengthy processing times. The lack of large-scale, anatomically precise datasets significantly hampers the development of high-quality, efficient, and generalizable methods. To address this gap, we introduce OpenPros, the first large-scale benchmark dataset for limited-angle prostate USCT, designed to evaluate machine learning algorithms for inverse problems systematically. Our dataset includes over 280,000 paired samples of realistic 2D speed-of-sound (SOS) phantoms and corresponding ultrasound full-waveform data, generated from anatomically accurate 3D digital prostate models derived from 4 real clinical MRI/CT scans and 62 ex vivo prostate specimens with experimental ultrasound measurements, annotated by medical experts. Simulations are conducted under clinically realistic configurations using advanced finite-difference time-domain (FDTD) and Runge-Kutta acoustic wave solvers, both provided as open-source components. Through comprehensive benchmarking, we find that deep learning methods significantly outperform traditional physics-based algorithms in inference efficiency and reconstruction accuracy. However, our results also reveal that current machine learning methods fail to deliver clinically acceptable, high-resolution reconstructions, underscoring critical gaps in generalization, robustness, and uncertainty quantification. By publicly releasing OpenPros, we provide the community with a rigorous benchmark that not only enables fair method comparison but also motivates new advances in physics-informed learning, foundation models for scientific imaging, and uncertainty-aware reconstruction—bridging the gap between academic ML research and real-world clinical deployment. The dataset is publicly accessible at https://open-pros.github.io/.
Applications · Physics
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.
Computer Vision · 3D Rendering & Reconstruction
We present SSD-GS, a physically-based relighting framework built upon 3D Gaussian Splatting (3DGS) that achieves high-quality reconstruction and photorealistic relighting under novel lighting conditions. In physically-based relighting, accurately modeling light-material interactions is essential for faithful appearance reproduction. However, existing 3DGS-based relighting methods adopt coarse shading decompositions, either modeling only diffuse and specular reflections or relying on neural networks to approximate shadows and scattering. This leads to limited fidelity and poor physical interpretability, particularly for anisotropic metals and translucent materials. To address these limitations, SSD-GS decomposes reflectance into four components: diffuse, specular, shadow, and subsurface scattering. We introduce a learnable dipole-based scattering module for subsurface transport, an occlusion-aware shadow formulation that integrates visibility estimates with a refinement network, and an enhanced specular component with an anisotropic Fresnel-based model. Through progressive integration of all components during training, SSD-GS effectively disentangles lighting and material properties, even for unseen illumination conditions, as demonstrated on the challenging OLAT dataset. Experiments demonstrate superior quantitative and perceptual relighting quality compared to prior methods and pave the way for downstream tasks including controllable light source editing and interactive scene relighting. The source code is available at: [https://github.com/irisfreesiri/SSD-GS](https://github.com/irisfreesiri/SSD-GS).
Applications · Robotics
Humanoid robots, capable of assuming human roles in various workplaces, have become essential to embodied intelligence. However, as robots with complex physical structures, learning a control model that can operate robustly across diverse environments remains inherently challenging, particularly under the discrepancies between training and deployment environments. In this study, we propose HWC-Loco, a robust whole-body control algorithm tailored for humanoid locomotion tasks. By reformulating policy learning as a robust optimization problem, HWC-Loco explicitly learns to recover from safety-critical scenarios. While prioritizing safety guarantees, overly conservative behavior can compromise the robot's ability to complete the given tasks. To tackle this challenge, HWC-Loco leverages a hierarchical policy for robust control. This policy can dynamically resolve the trade-off between goal-tracking and safety recovery, guided by human behavior norms and dynamic constraints. To evaluate the performance of HWC-Loco, we conduct extensive comparisons against state-of-the-art humanoid control models, demonstrating HWC-Loco's superior performance across diverse terrains, robot structures, and locomotion tasks under both simulated and real-world environments.
Applications · Physics
Learning PDE dynamics with neural solvers can significantly improve wall-clock efficiency and accuracy compared with classical numerical solvers. In recent years, foundation models for PDEs have largely adopted multi-scale windowed self-attention, with the scOT backbone in Poseidon serving as a representative example. However, because of their locality, truly globally consistent spectral coupling can only be propagated gradually through deep stacking and window shifting. This weakens global coupling and leads to error accumulation and drift during closed-loop rollouts. To address this, we propose DRIFT-Net. It employs a dual-branch design comprising a spectral branch and an image branch. The spectral branch is responsible for capturing global, large-scale low-frequency information, whereas the image branch focuses on local details and nonstationary structures. Specifically, we first perform controlled, lightweight mixing within the low-frequency range. Then we fuse the spectral and image paths at each layer via bandwise weighting, which avoids the width inflation and training instability caused by naive concatenation. The fused result is transformed back into the spatial domain and added to the image branch, thereby preserving both global structure and high-frequency details across scales. Compared with strong attention-based baselines, DRIFT-Net achieves lower error and higher throughput with fewer parameters under identical training settings and budget. On Navier--Stokes benchmarks, the relative $L_{1}$ error is reduced by 7%-54%, the parameter count decreases by about 15%, and the throughput remains higher than scOT. Ablation studies and theoretical analyses further demonstrate the stability and effectiveness of this design. The code is available at https://github.com/cruiseresearchgroup/DRIFT-Net.
Applications · Chemistry and Drug Discovery
Recently, significant progress has been made in protein-ligand docking, especially in deep learning methods, and some benchmarks were proposed, such as PoseBench and PLINDER. However, these studies typically focus on the self-docking scenario, which is less practical in real-world applications. Moreover, some studies employ complex frameworks that require extensive training, posing challenges for convenient and efficient assessment of docking methods. To address these gaps, we introduce PoseX, an open-source benchmark for evaluating both self-docking and cross-docking, enabling a practical and comprehensive assessment of algorithmic advances. Specifically, we curated a novel dataset comprising 718 entries for self-docking and 1,312 entries for cross-docking; secondly, we incorporated 23 docking methods in three methodological categories, including physics-based methods (e.g., Schrödinger Glide), AI docking methods (e.g., DiffDock) and AI co-folding methods (e.g., AlphaFold3); thirdly, we developed a relaxation method for post-processing to minimize conformational energy and refine binding poses; fourthly, we established a public leaderboard to rank submitted models in real-time. We derived some key insights and conclusions through extensive experiments: (1) AI-based approaches consistently outperform physics-based methods in overall docking success rate. (2) Most intra- and intermolecular clashes of AI-based approaches can be greatly alleviated with relaxation, which means combining AI modeling with physics-based post-processing could achieve excellent performance. (3) AI co-folding methods exhibit ligand chirality issues, except for Boltz-1x, which introduced physics-inspired potentials to fix hallucinations, suggesting that stereochemical modeling greatly improves the structural plausibility of the predicted protein-ligand complexes. (4) Specifying binding pockets significantly promotes docking performance, indicating that pocket information can be leveraged adequately, particularly for AI co-folding methods, in future modeling efforts.
Applications · Physics
Physics-constrained generative modeling aims to produce high-dimensional samples that are both physically consistent and distributionally accurate, a task that remains challenging due to often conflicting optimization objectives. Recent advances in flow matching and diffusion models have enabled efficient generative modeling, but integrating physical constraints often degrades generative fidelity or requires costly inference-time corrections. Our work is the first to recognize the trade-off between distributional and physical accuracy. Based on the insight of inherently conflicting objectives, we introduce Physics-Based Flow Matching (PBFM) a method that enforces physical constraints at training time using conflict-free gradient updates and unrolling to mitigate Jensen's gap. Our approach avoids manual loss balancing and enables simultaneous optimization of generative and physical objectives. As a consequence, physics constraints do not impede inference performance. We benchmark our method across three representative PDE benchmarks. PBFM achieves a Pareto-optimal trade-off, competitive inference speed, and generalizes to a wide range of physics-constrained generative tasks, providing a practical tool for scientific machine learning. Code and datasets available at [https://github.com/tum-pbs/PBFM](https://github.com/tum-pbs/PBFM).
Applications · Robotics
Achieving both speed and accuracy is a central challenge for real-world robot manipulation. While recent imitation learning approaches, including vision-language-action (VLA) models, have achieved remarkable precision and generalization, their execution speed is often limited by slow demonstration via teleoperation and by inference latency. In this work, we introduce a method to accelerate any imitation policy that predicts action chunks, enabling speeds that surpass those of the original demonstration. A naive approach of simply increasing the execution frequency of predicted actions leads to significant state errors and task failure, as it alters the underlying transition dynamics and encounters physical reachability constraints over shorter time horizons. These errors are further amplified by misaligned actions based on outdated robot state when using asynchronous inference to accelerate execution. Our method $\textbf{\textit{RACE}}$ address these challenges with a three-part solution: 1) using desired states as imitation targets instead of commanded actions, 2) replanning the timing of action chunks to execute them as fast as the robot's physical limits allow, and 3) employing a test-time search for an aligned action chunk that maximizes controllability from the current state. Through extensive experiments in both simulation and the real world, we show that our method achieves up to a 4x acceleration over the original policy while maintaining a high success rate
Deep Learning · Theory
Finding the right initialisation for neural networks is crucial to ensure smooth training and good performance. In transformers, the wrong initialisation can lead to one of two failure modes of self-attention layers: rank collapse, where all tokens collapse into similar representations, and entropy collapse, where highly concentrated attention scores lead to training instability. While previous work has studied different scaling regimes for transformers, an asymptotically exact, down-to-the constant prescription for how to initialise transformers has so far been lacking. Here, we provide an analytical theory of signal propagation through deep transformers with self-attention, layer normalisation, skip connections and MLP. Our theory yields a simple algorithm to compute trainability diagrams that identify the correct choice of initialisation hyper-parameters for a given architecture. We overcome the key challenge, an exact treatment of the self-attention layer, by establishing a formal parallel with the Random Energy Model from statistical physics. We also analyse gradients in the backward path and determine the regime where gradients vanish at initialisation. We demonstrate the versatility of our framework through three case studies. Our theoretical framework gives a unified perspective on the two failure modes of self-attention and gives quantitative predictions on the scale of both weights and residual connections that guarantee smooth training.
Deep Learning · Theory
Large language models rely on attention mechanisms with a softmax activation. Yet the dominance of softmax over alternatives (e.g., component-wise or linear) remains poorly understood, and many theoretical works have focused on the easier-to-analyze linearized attention. In this work, we address this gap through a principled study of the single-location regression task, where the output depends on a linear transformation of a single input token at a random location. Building on ideas from statistical physics, we develop an analysis of attention-based predictors in the high-dimensional limit, where generalization performance is captured by a small set of order parameters. At the population level, we show that softmax achieves the Bayes risk, whereas linear attention fundamentally falls short. We then examine other activation functions to identify which properties are necessary for optimal performance. Finally, we analyze the finite-sample regime: we provide an asymptotic characterization of the test error and show that, while softmax is no longer Bayes-optimal, it consistently outperforms linear attention. We discuss the connection with optimization by gradient-based algorithms.
Applications · Physics
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, nine 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 nine 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/.
Applications · Physics
Quantum Error Correction (QEC) decoding faces a fundamental accuracy-efficiency tradeoff. Classical methods like Minimum Weight Perfect Matching (MWPM) exhibit variable performance across noise models and suffer from polynomial complexity, while tensor network decoders achieve high accuracy but at prohibitively high computational cost. Recent neural decoders reduce complexity but lack the accuracy needed to compete with computationally expensive classical methods. We introduce SAQ-Decoder, a unified framework combining transformer-based learning with constraint aware post-processing that achieves both near Maximum Likelihood (ML) accuracy and linear computational scalability with respect to the syndrome size. Our approach combines a dual-stream transformer architecture that processes syndromes and logical information with asymmetric attention patterns, and a novel differentiable logical loss that directly optimizes Logical Error Rates (LER) through smooth approximations over finite fields. SAQ-Decoder achieves high accuracy decoding, with error thresholds of 10.99\% (independent noise) and 18.6\% (depolarizing noise) on toric codes that closely approach the theoretical ML bounds of 11.0\% and 18.9\% while outperforming existing neural and classical baselines in accuracy, complexity, and parameter efficiency. Our findings establish that learned decoders can simultaneously achieve competitive decoding accuracy and computational efficiency, addressing key requirements for practical fault-tolerant quantum computing systems.
Deep Learning · Algorithms
Spectral bias, the tendency of neural networks to learn low-frequency features first, is a well-known issue with many training algorithms for physics-informed neural networks (PINNs). To overcome this issue, we propose IFeF-PINN, an algorithm for iterative training of PINNs with Fourier-enhanced features. The key idea is to enrich the latent space using high-frequency components through Random Fourier Features. This creates a two-stage training problem: (i) estimate a basis in the feature space, and (ii) perform regression to determine the coefficients of the enhanced basis functions. For an underlying linear model, it is shown that the latter problem is convex, and we prove that the iterative training scheme converges. Furthermore, we empirically establish that Random Fourier Features enhance the expressive capacity of the network, enabling accurate approximation of high-frequency PDEs. Through extensive numerical evaluation on classical benchmark problems, the superior performance of our method over state-of-the-art algorithms is shown, and the improved approximation across the frequency domain is illustrated.
Applications · Time Series
We introduce WARP (**W**eight-space **A**daptive **R**ecurrent **P**rediction), a simple yet powerful model that unifies weight-space learning with linear recurrence to redefine sequence modeling. Unlike conventional recurrent neural networks (RNNs) which collapse temporal dynamics into fixed-dimensional hidden states, WARP explicitly parametrizes its hidden state as the weights and biases of a distinct auxiliary neural network, and uses input differences to drive its recurrence. This brain-inspired formulation enables efficient gradient-free adaptation of the auxiliary network at test-time, in-context learning abilities, and seamless integration of domain-specific physical priors. Empirical validation shows that WARP matches or surpasses state-of-the-art baselines on diverse classification tasks, featuring in the top three in 4 out of 6 real-world challenging datasets. Furthermore, extensive experiments across sequential image completion, multivariate time series forecasting, and dynamical system reconstruction demonstrate its expressiveness and generalization capabilities. Remarkably, a physics-informed variant of our model outperforms the next best model by more than 10x. Ablation studies confirm the architectural necessity of key components, solidifying weight-space linear RNNs as a transformative paradigm for adaptive machine intelligence.
Computer Vision · 3D Rendering & Reconstruction
We consider the problem of synthesizing photorealistic, physically plausible combustion effects in in-the-wild 3D scenes. Traditional CFD and graphics pipelines can produce realistic fire effects but rely on handcrafted geometry, expert-tuned parameters, and labor-intensive workflows, limiting their scalability to the real world. Recent scene modeling advances like 3D Gaussian Splatting (3DGS) enable high-fidelity real-world scene reconstruction, yet lack physical grounding for combustion. To bridge this gap, we propose FieryGS, a physically-based framework that integrates physically-accurate and user-controllable combustion simulation and rendering within the 3DGS pipeline, enabling realistic fire synthesis for real scenes. Our approach tightly couples three key modules: (1) multimodal large-language-model-based physical material reasoning, (2) efficient volumetric combustion simulation, and (3) a unified renderer for fire and 3DGS. By unifying reconstruction, physical reasoning, simulation, and rendering, FieryGS removes manual tuning and automatically generates realistic, controllable fire dynamics consistent with scene geometry and materials. Our framework supports complex combustion phenomena—including flame propagation, smoke dispersion, and surface carbonization—with precise user control over fire intensity, airflow, ignition location and other combustion parameters. Evaluated on diverse indoor and outdoor scenes, FieryGS outperforms all comparative baselines in visual realism, physical fidelity, and controllability.
Applications · Climate
We present a deep learning model for high-resolution probabilistic precipitation forecasting over an 8-hour horizon in Europe, overcoming the limitations of radar-only deep learning models with short forecast lead times. Our model efficiently integrates multiple data sources - including radar, satellite, and physics-based numerical weather prediction (NWP) - while capturing long-range interactions, resulting in accurate forecasts with robust uncertainty quantification through consistent probabilistic maps. Featuring a compact architecture, it enables more efficient training and faster inference than existing models. Extensive experiments demonstrate that our model surpasses current operational NWP systems, extrapolation-based methods, and deep-learning nowcasting models, setting a new standard for high-resolution precipitation forecasting in Europe, ensuring a balance between accuracy, interpretability, and computational efficiency.
Applications · Physics
Accuracy-cost trade-offs are a fundamental aspect of scientific computing. Classical numerical methods inherently offer such a trade-off: increasing resolution, order, or precision typically yields more accurate solutions at higher computational cost. We introduce \textbf{Recurrent-Depth Simulator} (\textbf{RecurrSim}) an architecture-agnostic framework that enables explicit test-time control over accuracy-cost trade-offs in neural simulators without requiring retraining or architectural redesign. By setting the number of recurrent iterations $K$, users can generate fast, less-accurate simulations for exploratory runs or real-time control loops, or increase $K$ for more-accurate simulations in critical applications or offline studies. We demonstrate RecurrSim's effectiveness across fluid dynamics benchmarks (Burgers, Korteweg-De Vries, Kuramoto-Sivashinsky), achieving physically faithful simulations over long horizons even in low-compute settings. On high-dimensional 3D compressible Navier-Stokes simulations with 262k points, a 0.8B parameter RecurrFNO outperforms 1.6B parameter baselines while using 13.5\% less training memory. RecurrSim consistently delivers superior accuracy-cost trade-offs compared to alternative adaptive-compute models, including Deep Equilibrium and diffusion-based approaches. We further validate broad architectural compatibility: RecurrViT reduces error accumulation by 90\% compared to standard Vision Transformers on Active Matter, while RecurrUPT matches UPT performance on ShapeNet-Car using 44\% fewer parameters.
Applications · Physics
We present **Lean4PHYS**, a comprehensive reasoning framework for college-level physics problems in Lean4. To establish a solid foundation for formal reasoning in physics, **Lean4PHYS** launches *PhysLib*, a repository containing fundamental unit systems and essential theorems to formulate physics proofs in Lean4. It will be community-driven and long-term maintained. Lean4PHYS also includes *LeanPhysBench*, a college-level benchmark for evaluating LLMs' Lean4 formal physics reasoning capability. It contains 200 hand-crafted and peer-reviewed Lean4 theorem statements formalized from university textbooks and physics competition problems. Based on the *PhysLib* and *LeanPhysBench* we composed in **Lean4PHYS**, we perform exhaustive experiments of baseline results using major expert Math provers and state-of-the-art closed-source models, and provide an analysis of their performance. In the experiment, we identify that most expert provers do not outperform general models as they did in the math domain. This suggests potential overfitting to the math domain rather than learning formal reasoning for formal provers. We also conduct a comprehensive experiment showing that, with *PhysLib* in the context, LLMs' performance on *LeanPhysBench* increases by **11.90%** on average, proving the effectiveness of our repository in assisting LLMs in solving the Lean4 physics problem. To the best of our knowledge, we are the first study to provide a physics benchmark in Lean4.
Applications · Chemistry and Drug Discovery
Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann Generators tackle this problem by pairing a generative model, capable of exact likelihood computation, with importance sampling to obtain consistent samples under the target distribution. Current Boltzmann Generators primarily use continuous normalizing flows (CNFs) trained with flow matching for efficient training of powerful models. However, likelihood calculation for these models is extremely costly, requiring thousands of function evaluations per sample, severely limiting their adoption. In this work, we propose Few-Step Accurate Likelihoods for Continuous Flows (FALCON), a method which allows for few-step sampling with a likelihood accurate enough for importance sampling applications by introducing a hybrid training objective that encourages invertibility. We show FALCON outperforms state-of-the-art normalizing flow models for molecular Boltzmann sampling and is two orders of magnitude faster than the equivalently performing CNF model. FALCON code is available at: https://github.com/danyalrehman/FALCON.