Daily Papers

Context. Cosmic voids are vast underdense regions in the cosmic web that encode crucial information about structure formation, the composition of the Universe, and its expansion history. Due to their lower density, these regions are less affected by non-linear gravitational dynamics, making them suitable candidates for analysis using semi-analytic methods. Aims. We assess the accuracy of the PINOCCHIO code, a fast tool for generating dark matter halo catalogs based on Lagrangian Perturbation Theory, in modeling the statistical properties of cosmic voids. We validate this approach by comparing the resulting void statistics measured from PINOCCHIO to those obtained from N-body simulations. Methods. We generate a set of simulations using PINOCCHIO and OpenGADGET3, assuming a fiducial cosmology and varying the resolution. For a given resolution, the simulations share the same initial conditions between the different simulation codes. Snapshots are saved at multiple redshifts for each simulation and post-processed using the watershed void finder VIDE to identify cosmic voids. For each simulation code, we measure the following statistics: void size function, void ellipticity function, core density function, and the void radial density profile. We use these statistics to quantify the accuracy of PINOCCHIO relative to OpenGADGET3 in the context of cosmic voids. Results. We find agreement for all void statistics at better than 2{\sigma} between PINOCCHIO and OpenGADGET3, with no systematic difference in redshift trends. This demonstrates that the PINOCCHIO code can reliably produce void statistics with high computational efficiency compared to full N-body simulations.

We present the Cosmology and Astrophysics with MachinE Learning Simulations --CAMELS-- project. CAMELS is a suite of 4,233 cosmological simulations of (25~h^{-1}{rm Mpc})^3 volume each: 2,184 state-of-the-art (magneto-)hydrodynamic simulations run with the AREPO and GIZMO codes, employing the same baryonic subgrid physics as the IllustrisTNG and SIMBA simulations, and 2,049 N-body simulations. The goal of the CAMELS project is to provide theory predictions for different observables as a function of cosmology and astrophysics, and it is the largest suite of cosmological (magneto-)hydrodynamic simulations designed to train machine learning algorithms. CAMELS contains thousands of different cosmological and astrophysical models by way of varying Omega_m, sigma_8, and four parameters controlling stellar and AGN feedback, following the evolution of more than 100 billion particles and fluid elements over a combined volume of (400~h^{-1}{rm Mpc})^3. We describe the simulations in detail and characterize the large range of conditions represented in terms of the matter power spectrum, cosmic star formation rate density, galaxy stellar mass function, halo baryon fractions, and several galaxy scaling relations. We show that the IllustrisTNG and SIMBA suites produce roughly similar distributions of galaxy properties over the full parameter space but significantly different halo baryon fractions and baryonic effects on the matter power spectrum. This emphasizes the need for marginalizing over baryonic effects to extract the maximum amount of information from cosmological surveys. We illustrate the unique potential of CAMELS using several machine learning applications, including non-linear interpolation, parameter estimation, symbolic regression, data generation with Generative Adversarial Networks (GANs), dimensionality reduction, and anomaly detection.

Understanding the galaxy-halo relationship is not only key for elucidating the interplay between baryonic and dark matter, it is essential for creating large mock galaxy catalogues from N-body simulations. High-resolution hydrodynamical simulations are limited to small volumes by their large computational demands, hindering their use for comparisons with wide-field observational surveys. We overcome this limitation by using the First Light and Reionisation Epoch Simulations (FLARES), a suite of high-resolution (M_gas = 1.8 x 10^6 M_Sun) zoom simulations drawn from a large, (3.2 cGpc)^3 box. We use an extremely randomised trees machine learning approach to model the relationship between galaxies and their subhaloes in a wide range of environments. This allows us to build mock catalogues with dynamic ranges that surpass those obtainable through periodic simulations. The low cost of the zoom simulations facilitates multiple runs of the same regions, differing only in the random number seed of the subgrid models; changing this seed introduces a butterfly effect, leading to random differences in the properties of matching galaxies. This randomness cannot be learnt by a deterministic machine learning model, but by sampling the noise and adding it post-facto to our predictions, we are able to recover the distributions of the galaxy properties we predict (stellar mass, star formation rate, metallicity, and size) remarkably well. We also explore the resolution-dependence of our models' performances and find minimal depreciation down to particle resolutions of order M_DM ~ 10^8 M_Sun, enabling the future application of our models to large dark matter-only boxes.

Ongoing and upcoming galaxy redshift surveys, such as the Dark Energy Spectroscopic Instrument (DESI) survey, will observe vast regions of sky and a wide range of redshifts. In order to model the observations and address various systematic uncertainties, N-body simulations are routinely adopted, however, the number of large simulations with sufficiently high mass resolution is usually limited by available computing time. Therefore, achieving a simulation volume with the effective statistical errors significantly smaller than those of the observations becomes prohibitively expensive. In this study, we apply the Convergence Acceleration by Regression and Pooling (CARPool) method to mitigate the sample variance of the DESI-like galaxy clustering in the AbacusSummit simulations, with the assistance of the quasi-N-body simulations FastPM. Based on the halo occupation distribution (HOD) models, we construct different FastPM galaxy catalogs, including the luminous red galaxies (LRGs), emission line galaxies (ELGs), and quasars, with their number densities and two-point clustering statistics well matched to those of AbacusSummit. We also employ the same initial conditions between AbacusSummit and FastPM to achieve high cross-correlation, as it is useful in effectively suppressing the variance. Our method of reducing noise in clustering is equivalent to performing a simulation with volume larger by a factor of 5 and 4 for LRGs and ELGs, respectively. We also mitigate the standard deviation of the LRG bispectrum with the triangular configurations k_2=2k_1=0.2 h/Mpc by a factor of 1.6. With smaller sample variance on galaxy clustering, we are able to constrain the baryon acoustic oscillations (BAO) scale parameters to higher precision. The CARPool method will be beneficial to better constrain the theoretical systematics of BAO, redshift space distortions (RSD) and primordial non-Gaussianity (NG).

Context. Low-mass bodies, such as comets, asteroids, planetesimals, and free-floating planets, are continuously injected into the intra-cluster environment after expulsion from their host planetary systems. These can be modeled as massless particles (MLPs, hereafter). The dynamics of large populations of MLPs, however, has yet received little attention in literature. Aims. We investigate the dynamical evolution of MLP populations in star clusters, and characterize their kinematics and ejection rates. Methods. We present NBODY6++GPU-MASSLESS, a modified version of the N-body simulation code NBODY6++GPU, that allows fast integration of star clusters that contain large numbers of massless particles (MLPs). NBODY6++GPU-MASSLESS contains routines specifically directed at the dynamical evolution of low-mass bodies, such as planets. Results. Unlike stars, MLPs do not participate in the mass segregation process. Instead, MLPs mostly follow the gravitational potential of the star cluster, which gradually decreases over time due to stellar ejections and stellar evolution. The dynamical evolution of MLPs is primarily affected by the evolution of the core of the star cluster. This is most apparent in the outer regions for clusters with higher initial densities. High escape rates of MLPs are observed before the core-collapse, after which escape rates remain stable. Denser star clusters undergo a more intense core collapse, but this does not impact the dynamical evolution of MLPs. The speeds of escaping stars are similar to those of escaping MLPs, when disregarding the high-velocity ejections of neutron stars during the first 50 Myr.

The Beta Pictoris system is characterized by a dusty debris disk, in addition to the presence of two already known planets. This makes it a particularly interesting case for studying the formation and evolution of planetary systems at a stage where giant planets have already formed, most of the protoplanetary gas has dissipated, and terrestrial planets could emerge. Our goal here is to explore the possibility of additional planets orbiting beyond the outermost known one, beta Pic b. More specifically, we aim to assess whether additional planets in the system could explain the discrepancy between the predicted cutoff of the disk inner cavity at sim28 au with only two planets, and the observed one at sim50 au. We perform an exhaustive dynamical modeling of the debris disk and the carving of its inner edge, by introducing one or two additional planets beyond beta Pic b, coplanar with the disk. Guided by theoretical predictions for the parameter space - mass, semi-major axis, eccentricity - allowed for additional planets, we further carry out a set of N-body simulations, using the symplectic integrator RMVS3. Our simulations indicate that an additional planet with a low eccentricity of 0.05, a mass between 0.15 and 1 M_{Jup}, and a semi-major axis between 30 and 36 au, would be consistent with the observations of an inner debris disk edge at 50 au. We have also explored the hypotheses of a higher eccentricity and the presence of two additional lower mass planets instead of one, which could also account for these observations. While we have found that one or even two additional planets could explain the observed location of the disk inner edge, these hypothetical planets remain in most cases below the current observational limits of high contrast imaging. Future observational campaigns with improved sensitivity will help lowering these limits and perhaps detect that planet.

Giant planets form in protoplanetary discs, where the coupled dynamical and chemical evolution of gas and solids determines the composition of the material they accrete. We investigate how planet formation and migration shape the primordial elemental makeup of giant-planet atmospheres. Our aim is to link atmospheric compositions to planets' formation pathways and the time-dependent chemical properties of their natal discs. We couple 1D models of viscously evolving discs - incorporating radial dust drift and volatile chemistry - with N-body simulations of planetesimals interacting with a growing and migrating giant planet. Four chemical scenarios and three representative grain sizes (0.1, 20, and 100 micron) are explored. We track the accretion of carbon, oxygen, nitrogen, and sulphur to derive atmospheric elemental ratios normalised to stellar values (* denotes stellar normalisation). We identify three atmospheric classes corresponding to distinct accretion regimes: gas-dominated, characterised by N/O* > C/O* > C/N* and unconstrained or substellar S/N* (near-stellar C/S*); planetesimal-dominated, showing N/O* < C/O* < C/N*, S/N* >= C/N*, and C/S* <= C/O*; and drift-enhanced, exhibiting N/O* < C/O* < C/N* and markedly superstellar volatile-to-refractory ratios. N/O*, C/N*, and S/N* vary systematically with migration extent, although degeneracies arise for planets forming beyond the CO and N2 snowlines; C/O* remains largely insensitive. Metallicity alone does not uniquely trace the solid-to-gas accretion balance in drift-dominated regimes. Variations in the disc's chemical state and dust size imprint distinctive volatile-ratio patterns across these classes, providing complementary constraints on disc properties. This multi-element framework establishes predictive trends to guide the interpretation of atmospheric spectra from facilities like JWST and Ariel.

This paper studies the scale and redshift variation of density and velocity distributions in self-gravitating collisionless dark matter flow by a halo-based non-projection approach. All particles are divided into halo and out-of-halo particles for redshift variation of distributions. Without projecting particle fields onto a structured grid, the scale variation is analyzed by identifying all particle pairs on different scales r. We demonstrate that: i) Delaunay tessellation can be used to reconstruct the density field. The density correlation, spectrum, and dispersion functions were obtained, modeled, and compared with the N-body simulation; ii) the velocity distributions are symmetric on both small and large scales and are non-symmetric with a negative skewness on intermediate scales due to the inverse energy cascade at a constant rate varepsilon_u; iii) On small scales, the even order moments of pairwise velocity Delta u_L follow a two-thirds law (-varepsilon_ur)^{2/3}, while the odd order moments follow a linear scaling langle(Delta u_L)^{2n+1}rangle=(2n+1)langle(Delta u_L)^{2n}ranglelangleDelta u_Lrangler; iv) The scale variation of the velocity distributions was studied for longitudinal velocities u_L or u_L^{'}, pairwise velocity (velocity difference) Delta u_L=u_L^{'}-u_L and velocity sum Sigma u_L=u^{'}_L+u_L. Fully developed velocity fields are never Gaussian on any scale, despite that they can initially be Gaussian; v) On small scales, u_L and Sigma u_L can be modeled by a X distribution to maximize the system entropy; vi) On large scales, Delta u_L and Sigma u_L can be modeled by a logistic or a X distribution; vii) the redshift variation of the velocity distributions follows the evolution of the X distribution involving a shape parameter alpha(z) decreasing with time.

The paper presents an O(N log N)-implementation of t-SNE -- an embedding technique that is commonly used for the visualization of high-dimensional data in scatter plots and that normally runs in O(N^2). The new implementation uses vantage-point trees to compute sparse pairwise similarities between the input data objects, and it uses a variant of the Barnes-Hut algorithm - an algorithm used by astronomers to perform N-body simulations - to approximate the forces between the corresponding points in the embedding. Our experiments show that the new algorithm, called Barnes-Hut-SNE, leads to substantial computational advantages over standard t-SNE, and that it makes it possible to learn embeddings of data sets with millions of objects.

This paper deals with the formation and evolution of Mars' moons, Phobos and Deimos, assuming the dislocation of a larger progenitor as the origin of these moons. The study by Hyodo et al. (2022) argue that under somewhat simplistic modeling, the post-dislocation orbits of Phobos and Deimos inevitably collide within 10,000 years, leading to their mutual annihilation. These findings are based on N-body simulations, accounting for Mars' J_2 and J_4 gravitational perturbations and mutual perturbations between the moons. In this paper, we challenge these findings by extending their work. We incorporate important perturbations such as solar perturbations, Mars' axial precession and nutation, and its deformation along three axes. We also extend some of the hypotheses made by Hyodo et al. (2022) concerning the initial distribution of Phobos and Deimos after the dislocation. Our analysis reveals that including these additional perturbations as well as the possibility of having more than two fragments after the dislocation does not alter the ultimate fate of Phobos and Deimos. The moons still converge towards collision within comparable timescales, supporting Hyodo et al. (2022) conclusions that the dislocation hypothesis under the dynamical scenario developed by Bagheri et al. (2021) has, in the best conditions, about 10\% chance of surviving after the first 100,000 years following their formation.

Does the environment of a galaxy directly influence the kinematics of its bar? We present observational evidence that bars in high-density environments exhibit significantly slower rotation rates than bars in low-density environments. Galactic bars are central, extended structures composed of stars, dust and gas, present in approximately 30 to 70 per cent of luminous spiral galaxies in the local Universe. Recent simulation studies have suggested that the environment can influence the bar rotation rate, R, which is used to classify bars as either fast (1leq R leq1.4) or slow (R gt 1.4). We use estimates of R obtained with the Tremaine-Weinberg method applied to Integral Field Unit spectroscopy from MaNGA and CALIFA. After cross-matching these with the projected neighbour density, logΣ, we retain 286 galaxies. The analysis reveals that bars in high-density environments are significantly slower (median R = 1.67^{+0.72}_{-0.42}) compared to bars in low-density environments (median R = 1.37^{+0.51}_{-0.34}); Anderson-Darling p-value of p_{AD}= 0.002 (3.1,σ). This study marks the first empirical test of the hypothesis that fast bars are formed by global instabilities in isolated galaxies, while slow bars are triggered by tidal interactions in dense environments, in agreement with predictions from numerous N-body simulations. Future studies would benefit from a larger sample of galaxies with reliable Integral Field Unit data, required to measure bar rotation rates. Specifically, more data are necessary to study the environmental influence on bar formation within dense settings (i.e. groups, clusters and filaments).

We explore the lowest mass limit that can be placed on the halo mass function in CDM using 28 strong gravitational lenses. For this purpose, we study an extreme model in which the halo mass function and mass-concentration relation follow CDM, with a sharp cutoff at some mass scale, m_{low}. Lensing provides a unique window into this quantity as it does not depend on the presence of baryons in dark matter halos and also allows the detection of low mass halos at cosmological distances, both in the lens galaxies and along the line-of-sight. Our model incorporates the effects of tidal stripping of subhalos, leading to the presence of many subhalos below a given model cutoff scale. We place an upper limit on the low-mass cutoff of the halo mass function of m_{low}<10^{8.3} M_odot at 10:1 odds using a prior for the normalization of the subhalo mass function from the semi-analytic model {\tt galacticus} and m_{low}<10^{8.2} M_odot at 10:1 odds using a prior from N-body simulations. These limits are comparable to, or stronger than, existing constraints based on Milky Way satellite galaxies. Based on these results, we forecast more than an order of magnitude improvement with a sample of 200 quadruply imaged quasar lenses. This number represents a small subset of the thousands that are anticipated to be discovered by Rubin, Euclid, and Roman. Furthermore, with this larger sample of lenses we expect to directly constrain the normalization of the subhalo mass function, thereby eliminating a major source of uncertainty in our current measurements.

The fundamental trade-off between robustness and tunability is a central challenge in the pursuit of quantum simulation and fault-tolerant quantum computation. In particular, many emerging quantum architectures are designed to achieve high coherence at the expense of having fixed spectra and consequently limited types of controllable interactions. Here, by adiabatically transforming fixed-frequency superconducting circuits into modifiable Floquet qubits, we demonstrate an XXZ Heisenberg interaction with fully adjustable anisotropy. This interaction model is on one hand the basis for many-body quantum simulation of spin systems, and on the other hand the primitive for an expressive quantum gate set. To illustrate the robustness and versatility of our Floquet protocol, we tailor the Heisenberg Hamiltonian and implement two-qubit iSWAP, CZ, and SWAP gates with estimated fidelities of 99.32(3)%, 99.72(2)%, and 98.93(5)%, respectively. In addition, we implement a Heisenberg interaction between higher energy levels and employ it to construct a three-qubit CCZ gate with a fidelity of 96.18(5)%. Importantly, the protocol is applicable to various fixed-frequency high-coherence platforms, thereby unlocking a suite of essential interactions for high-performance quantum information processing. From a broader perspective, our work provides compelling avenues for future exploration of quantum electrodynamics and optimal control using the Floquet framework.

We propose and experimentally demonstrate sequential quantum computing (SQC), a paradigm that utilizes multiple homogeneous or heterogeneous quantum processors in hybrid classical-quantum workflows. In this manner, we are able to overcome the limitations of each type of quantum computer by combining their complementary strengths. Current quantum devices, including analog quantum annealers and digital quantum processors, offer distinct advantages, yet face significant practical constraints when individually used. SQC addresses this by efficient inter-processor transfer of information through bias fields. Consequently, measurement outcomes from one quantum processor are encoded in the initial-state preparation of the subsequent quantum computer. We experimentally validate SQC by solving a combinatorial optimization problem with interactions up to three-body terms. A D-Wave quantum annealer utilizing 678 qubits approximately solves the problem, and an IBM's 156-qubit digital quantum processor subsequently refines the obtained solutions. This is possible via the digital introduction of non-stoquastic counterdiabatic terms unavailable to the analog quantum annealer. The experiment shows a substantial reduction in computational resources and improvement in the quality of the solution compared to the standalone operations of the individual quantum processors. These results highlight SQC as a powerful and versatile approach for addressing complex combinatorial optimization problems, with potential applications in quantum simulation of many-body systems, quantum chemistry, among others.

Frontier LLMs now perform strongly across a wide range of physics evaluations, but it is hard to disentangle genuine reasoning from recall of established science. We introduce DiscoverPhysics, an interactive benchmark that asks a LLM agent to discover the laws of motion of a simulated world whose physics deliberately deviates from our own. We construct 22 worlds governed by, among others, screened and fractional-power gravity, multi-species couplings, hidden dark-matter-like particles, non-coordinate-free physics, and time-varying interactions. Each world is generated on demand by an N-body simulator, for which the agent proposes several rounds of experiments, observes raw trajectory data, and ultimately submits both a natural-language explanation of the world's physics and a Python implementation of the inferred law. Because solving a world requires the agent to design informative experiments and revise its hypotheses, the benchmark probes long-horizon reasoning over an experimental history. We evaluate submissions along two complementary axes: trajectory MSE on held-out particles and an LLM-judged explanation score following an expert-written rubric assessing conceptual understanding of each world. Across eleven frontier models, we find that the strongest agents pass only half of the worlds and consistently fail on those where latent structure must be uncovered. Open-source models lag substantially behind commercial models, both in their ability to design informative experiments and in extracting conclusions from the data. We further find that good predictive accuracy does not guarantee high explanation quality and that conceptual understanding depends on hypothesis refinement through well-chosen experiments.

Humans can intuitively parallelise complex activities, but can a model learn this from observing a single person? Given one egocentric video, we introduce the N-Body Problem: how N individuals, can hypothetically perform the same set of tasks observed in this video. The goal is to maximise speed-up, but naive assignment of video segments to individuals often violates real-world constraints, leading to physically impossible scenarios like two people using the same object or occupying the same space. To address this, we formalise the N-Body Problem and propose a suite of metrics to evaluate both performance (speed-up, task coverage) and feasibility (spatial collisions, object conflicts and causal constraints). We then introduce a structured prompting strategy that guides a Vision-Language Model (VLM) to reason about the 3D environment, object usage, and temporal dependencies to produce a viable parallel execution. On 100 videos from EPIC-Kitchens and HD-EPIC, our method for N = 2 boosts action coverage by 45% over a baseline prompt for Gemini 2.5 Pro, while simultaneously slashing collision rates, object and causal conflicts by 55%, 45% and 55% respectively.

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 collisionless Boltzmann equation (CBE) is a fundamental equation that governs the dynamics of a broad range of astrophysical systems from space plasma to star clusters and galaxies. It is computationally expensive to integrate the CBE directly in a multi-dimensional phase space, and thus the applications to realistic astrophysical problems have been limited so far. Recently, Todorova & Steijl (2020) proposed an efficient quantum algorithm to solve the CBE with significantly reduced computational complexity. We extend the algorithm to perform quantum simulations of self-gravitating systems, incorporating the method to calculate gravity with the major Fourier modes of the density distribution extracted from the solution-encoding quantum state. Our method improves the dependency of time and space complexities on Nv , the number of grid points in each velocity coordinate, compared to the classical simulation methods. We then conduct some numerical demonstrations of our method. We first run a 1+1 dimensional test calculation of free streaming motion on 64*64 grids using 13 simulated qubits and validate our method. We then perform simulations of Jeans collapse, and compare the result with analytic and linear theory calculations. It will thus allow us to perform large-scale CBE simulations on future quantum computers.

Creating fast and accurate force fields is a long-standing challenge in computational chemistry and materials science. Recently, several equivariant message passing neural networks (MPNNs) have been shown to outperform models built using other approaches in terms of accuracy. However, most MPNNs suffer from high computational cost and poor scalability. We propose that these limitations arise because MPNNs only pass two-body messages leading to a direct relationship between the number of layers and the expressivity of the network. In this work, we introduce MACE, a new equivariant MPNN model that uses higher body order messages. In particular, we show that using four-body messages reduces the required number of message passing iterations to just two, resulting in a fast and highly parallelizable model, reaching or exceeding state-of-the-art accuracy on the rMD17, 3BPA, and AcAc benchmark tasks. We also demonstrate that using higher order messages leads to an improved steepness of the learning curves.

Simulations are the best approximation to experimental laboratories in astrophysics and cosmology. However, the complexity, richness, and large size of their outputs severely limit the interpretability of their predictions. We describe a new, unbiased, and machine learning based approach to obtaining useful scientific insights from a broad range of simulations. The method can be used on today's largest simulations and will be essential to solve the extreme data exploration and analysis challenges posed by the Exascale era. Furthermore, this concept is so flexible, that it will also enable explorative access to observed data. Our concept is based on applying nonlinear dimensionality reduction to learn compact representations of the data in a low-dimensional space. The simulation data is projected onto this space for interactive inspection, visual interpretation, sample selection, and local analysis. We present a prototype using a rotational invariant hyperspherical variational convolutional autoencoder, utilizing a power distribution in the latent space, and trained on galaxies from IllustrisTNG simulation. Thereby, we obtain a natural Hubble tuning fork like similarity space that can be visualized interactively on the surface of a sphere by exploiting the power of HiPS tilings in Aladin Lite.

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

Data-driven learning approaches for physics simulation, sometimes referred to as world models, have emerged as promising alternatives to traditional physics simulators due to their differentiable nature. Prior work has demonstrated impressive results in predicting the motions of rigid and non-rigid objects in complex scenes involving multiple interacting bodies. However, these models are typically trained in simulated environments because obtaining perfect state information such as complete scene point clouds and point correspondences over time is challenging in real-world settings. This reliance on synthetic data can limit their applicability when the sim-to-real gap is large. In this work, we aim to overcome these limitations by introducing a novel framework for training neural object dynamics models directly from unlabeled real-world videos. Specifically, we propose to learn a particle-based dynamics model compatible with a Gaussian splatting framework, which operates on dense particles derived from Gaussians (i.e., particles with scales and rotations) and predicts their position and rotation changes over time. The model is trained via rendering supervision, enabling learning from real-world videos without requiring particle-level labeled states. Our model operates directly on dense Gaussians without relying on heuristic subsampling anchor points. To enable this study, we also present a real-world dataset consisting of about 500 videos capturing diverse object interactions.

Physics simulation is paramount for modeling and utilizing 3D scenes in various real-world applications. However, integrating with state-of-the-art 3D scene rendering techniques such as Gaussian Splatting (GS) remains challenging. Existing models use additional meshing mechanisms, including triangle or tetrahedron meshing, marching cubes, or cage meshes. Alternatively, we can modify the physics-grounded Newtonian dynamics to align with 3D Gaussian components. Current models take the first-order approximation of a deformation map, which locally approximates the dynamics by linear transformations. In contrast, our GS for Physics-Based Simulations (GASP) pipeline uses parametrized flat Gaussian distributions. Consequently, the problem of modeling Gaussian components using the physics engine is reduced to working with 3D points. In our work, we present additional rules for manipulating Gaussians, demonstrating how to adapt the pipeline to incorporate meshes, control Gaussian sizes during simulations, and enhance simulation efficiency. This is achieved through the Gaussian grouping strategy, which implements hierarchical structuring and enables simulations to be performed exclusively on selected Gaussians. The resulting solution can be integrated into any physics engine that can be treated as a black box. As demonstrated in our studies, the proposed pipeline exhibits superior performance on a diverse range of benchmark datasets designed for 3D object rendering. The project webpage, which includes additional visualizations, can be found at https://waczjoan.github.io/GASP.

Modern generative models typically rely on an adversarial critic, a prescribed noise-to-data path, or an autoregressive factorization. Instead, we show that a proper distributional energy can induce sample-level motion and provide direct regression supervision for a one-step generator. Three-Body Scattering Modeling (TBSM) for generation turns the energy distance into a constant-size per-projectile interaction: each projectile is attracted toward one real source and repelled from one independently generated source. Conditioned on the projectile and its condition, its expectation equals the 2-Wasserstein gradient-flow velocity of frac12D_E^2(P_θ,Q). A batch of B frozen-target events yields O(B) sample-level losses, each using one reference for its condition instead of the minibatch-wide all-pairs field used by methods such as Drifting Models. Tracking this conditional expectation online can reduce field noise. Using scattering in frozen image features, TBSM trains one-step generators on ImageNet-256, achieving FID{}=2.23 with pixel-space PixelDiT-XL and FID{}=1.63 with latent-space DiT-XL at NFE{}=1. We provide a design map relating diffusion-related supervision, Drift-like dynamics, and GAN-like objectives. These results establish tracked scattering as a route to high-dimensional one-step generation. Code: https://github.com/sp12138/TBSM.

Nowadays, realistic simulation environments are essential to validate and build reliable robotic solutions. This is particularly true when using Reinforcement Learning (RL) based control policies. To this end, both robotics and RL developers need tools and workflows to create physically accurate simulations and synthetic datasets. Gazebo, MuJoCo, Webots, Pybullets or Isaac Sym are some of the many tools available to simulate robotic systems. Developing learning-based methods for space navigation is, due to the highly complex nature of the problem, an intensive data-driven process that requires highly parallelized simulations. When it comes to the control of spacecrafts, there is no easy to use simulation library designed for RL. We address this gap by harnessing the capabilities of NVIDIA Isaac Gym, where both physics simulation and the policy training reside on GPU. Building on this tool, we provide an open-source library enabling users to simulate thousands of parallel spacecrafts, that learn a set of maneuvering tasks, such as position, attitude, and velocity control. These tasks enable to validate complex space scenarios, such as trajectory optimization for landing, docking, rendezvous and more.

Developing embodied AI agents requires scalable training environments that balance content diversity with physics accuracy. World simulators provide such environments but face distinct limitations: video-based methods generate diverse content but lack real-time physics feedback for interactive learning, while physics-based engines provide accurate dynamics but face scalability limitations from costly manual asset creation. We present Seed3D 1.0, a foundation model that generates simulation-ready 3D assets from single images, addressing the scalability challenge while maintaining physics rigor. Unlike existing 3D generation models, our system produces assets with accurate geometry, well-aligned textures, and realistic physically-based materials. These assets can be directly integrated into physics engines with minimal configuration, enabling deployment in robotic manipulation and simulation training. Beyond individual objects, the system scales to complete scene generation through assembling objects into coherent environments. By enabling scalable simulation-ready content creation, Seed3D 1.0 provides a foundation for advancing physics-based world simulators. Seed3D 1.0 is now available on https://console.volcengine.com/ark/region:ark+cn-beijing/experience/vision?modelId=doubao-seed3d-1-0-250928&tab=Gen3D

Many problems in astrophysics cover multiple orders of magnitude in spatial and temporal scales. While simulating systems that experience rapid changes in these conditions, it is essential to adapt the (time-) step size to capture the behavior of the system during those rapid changes and use a less accurate time step at other, less demanding, moments. We encounter three problems with traditional methods. Firstly, making such changes requires expert knowledge of the astrophysics as well as of the details of the numerical implementation. Secondly, some parameters that determine the time-step size are fixed throughout the simulation, which means that they do not adapt to the rapidly changing conditions of the problem. Lastly, we would like the choice of time-step size to balance accuracy and computation effort. We address these challenges with Reinforcement Learning by training it to select the time-step size dynamically. We use the integration of a system of three equal-mass bodies that move due to their mutual gravity as an example of its application. With our method, the selected integration parameter adapts to the specific requirements of the problem, both in terms of computation time and accuracy while eliminating the expert knowledge needed to set up these simulations. Our method produces results competitive to existing methods and improve the results found with the most commonly-used values of time-step parameter. This method can be applied to other integrators without further retraining. We show that this extrapolation works for variable time-step integrators but does not perform to the desired accuracy for fixed time-step integrators.

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

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.

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.

Modern cosmological surveys are delivering datasets characterized by unprecedented quality and statistical completeness; this trend is expected to continue into the future as new ground- and space-based surveys come online. In order to maximally extract cosmological information from these observations, matching theoretical predictions are needed. At low redshifts, the surveys probe the nonlinear regime of structure formation where cosmological simulations are the primary means of obtaining the required information. The computational cost of sufficiently resolved large-volume simulations makes it prohibitive to run very large ensembles. Nevertheless, precision emulators built on a tractable number of high-quality simulations can be used to build very fast prediction schemes to enable a variety of cosmological inference studies. We have recently introduced the Mira-Titan Universe simulation suite designed to construct emulators for a range of cosmological probes. The suite covers the standard six cosmological parameters {omega_m,omega_b, sigma_8, h, n_s, w_0} and, in addition, includes massive neutrinos and a dynamical dark energy equation of state, {omega_{nu}, w_a}. In this paper we present the final emulator for the matter power spectrum based on 111 cosmological simulations, each covering a (2.1Gpc)^3 volume and evolving 3200^3 particles. An additional set of 1776 lower-resolution simulations and TimeRG perturbation theory results for the power spectrum are used to cover scales straddling the linear to mildly nonlinear regimes. The emulator provides predictions at the two to three percent level of accuracy over a wide range of cosmological parameters and is publicly released as part of this paper.

Neural surrogates promise large speedups over classical solvers for physical dynamics but fail silently at sharp dynamical events such as shocks, fronts, and contact. We present hybrid neural world models for physical dynamics: a recipe for training and deploying multi-horizon surrogates in physical state space, where a single network with continuous horizon conditioning is trained with direct supervision against textbook reference solvers to predict any future state at horizon T in one forward pass. Although no part of the training data, loss function, or architecture supervises discontinuity location, the trained surrogate encodes it implicitly, recoverable from its forward passes alone as a per-trajectory error map that concentrates on shocks, fronts, and contacts, and stays small elsewhere. The map is competitive with or better than standard label-free baselines including deep ensembles, learned error heads, gradient-magnitude indicators, and locally-adaptive conformal prediction, while using only a single trained network and requiring no calibration set or governing-equation knowledge. The recipe supports two operating points. Mode 1 runs the surrogate alone for maximum throughput, with same-hardware CPU speedups of 26x to 72x against textbook solvers on the PDE environments. Mode 2 uses the error map to gate a reference-solver fallback, deferring uncertain trajectories and roughly halving the surrogate's residual error at the default operating point. The recipe applies without modification across reaction-diffusion, compressible Euler, and rigid-body collision dynamics.

Scientific foundation models hold great promise for advancing nuclear and particle physics by improving analysis precision and accelerating discovery. Yet, progress in this field is often limited by the lack of openly available large scale datasets, as well as standardized evaluation tasks and metrics. Furthermore, the specialized knowledge and software typically required to process particle physics data pose significant barriers to interdisciplinary collaboration with the broader machine learning community. This work introduces a large, openly accessible dataset of 10 million simulated proton-proton collisions, designed to support self-supervised training of foundation models. To facilitate ease of use, the dataset is provided in a common NumPy format. In addition, it includes 70,000 labeled examples spanning three well defined downstream tasks: track finding, particle identification, and noise tagging, to enable systematic evaluation of the foundation model's adaptability. The simulated data are generated using the Pythia Monte Carlo event generator at a center of mass energy of sqrt(s) = 200 GeV and processed with Geant4 to include realistic detector conditions and signal emulation in the sPHENIX Time Projection Chamber at the Relativistic Heavy Ion Collider, located at Brookhaven National Laboratory. This dataset resource establishes a common ground for interdisciplinary research, enabling machine learning scientists and physicists alike to explore scaling behaviors, assess transferability, and accelerate progress toward foundation models in nuclear and high energy physics. The complete simulation and reconstruction chain is reproducible with the sPHENIX software stack. All data and code locations are provided under Data Accessibility.

Video generation models have emerged as high-fidelity models of the physical world, capable of synthesizing high-quality videos capturing fine-grained interactions between agents and their environments conditioned on multi-modal user inputs. Their impressive capabilities address many of the long-standing challenges faced by physics-based simulators, driving broad adoption in many problem domains, e.g., robotics. For example, video models enable photorealistic, physically consistent deformable-body simulation without making prohibitive simplifying assumptions, which is a major bottleneck in physics-based simulation. Moreover, video models can serve as foundation world models that capture the dynamics of the world in a fine-grained and expressive way. They thus overcome the limited expressiveness of language-only abstractions in describing intricate physical interactions. In this survey, we provide a review of video models and their applications as embodied world models in robotics, encompassing cost-effective data generation and action prediction in imitation learning, dynamics and rewards modeling in reinforcement learning, visual planning, and policy evaluation. Further, we highlight important challenges hindering the trustworthy integration of video models in robotics, which include poor instruction following, hallucinations such as violations of physics, and unsafe content generation, in addition to fundamental limitations such as significant data curation, training, and inference costs. We present potential future directions to address these open research challenges to motivate research and ultimately facilitate broader applications, especially in safety-critical settings.

As is intrinsic to the fundamental goal of quantum computing, classical simulation of quantum algorithms is notoriously demanding in resource requirements. Nonetheless, simulation is critical to the success of the field and a requirement for algorithm development and validation, as well as hardware design. GPU-acceleration has become standard practice for simulation, and due to the exponential scaling inherent in classical methods, multi-GPU simulation can be required to achieve representative system sizes. In this case, inter-GPU communications can bottleneck performance. In this work, we present the introduction of MPI into the QED-C Application-Oriented Benchmarks to facilitate benchmarking on HPC systems. We review the advances in interconnect technology and the APIs for multi-GPU communication. We benchmark using a variety of interconnect paths, including the recent NVIDIA Grace Blackwell NVL72 architecture that represents the first product to expand high-bandwidth GPU-specialized interconnects across multiple nodes. We show that while improvements to GPU architecture have led to speedups of over 4.5X across the last few generations of GPUs, advances in interconnect performance have had a larger impact with over 16X performance improvements in time to solution for multi-GPU simulations.

Generative models are a promising tool to produce cosmological simulations but face significant challenges in scalability, physical consistency, and adherence to domain symmetries, limiting their utility as alternatives to N-body simulations. To address these limitations, we introduce a score-based generative model with an equivariant graph neural network that simulates gravitational clustering of galaxies across cosmologies starting from an informed prior, respects periodic boundaries, and scales to full galaxy counts in simulations. A novel topology-aware noise schedule, crucial for large geometric graphs, is introduced. The proposed equivariant score-based model successfully generates full-scale cosmological point clouds of up to 600,000 halos, respects periodicity and a uniform prior, and outperforms existing diffusion models in capturing clustering statistics while offering significant computational advantages. This work advances cosmology by introducing a generative model designed to closely resemble the underlying gravitational clustering of structure formation, moving closer to physically realistic and efficient simulators for the evolution of large-scale structures in the universe.

We present PhysInOne, a large-scale synthetic dataset addressing the critical scarcity of physically-grounded training data for AI systems. Unlike existing datasets limited to merely hundreds or thousands of examples, PhysInOne provides 2 million videos across 153,810 dynamic 3D scenes, covering 71 basic physical phenomena in mechanics, optics, fluid dynamics, and magnetism. Distinct from previous works, our scenes feature multiobject interactions against complex backgrounds, with comprehensive ground-truth annotations including 3D geometry, semantics, dynamic motion, physical properties, and text descriptions. We demonstrate PhysInOne's efficacy across four emerging applications: physics-aware video generation, long-/short-term future frame prediction, physical property estimation, and motion transfer. Experiments show that fine-tuning foundation models on PhysInOne significantly enhances physical plausibility, while also exposing critical gaps in modeling complex physical dynamics and estimating intrinsic properties. As the largest dataset of its kind, orders of magnitude beyond prior works, PhysInOne establishes a new benchmark for advancing physics-grounded world models in generation, simulation, and embodied AI.

Recent research has been increasingly focusing on developing 3D world models that simulate complex real-world scenarios. World models have found broad applications across various domains, including embodied AI, autonomous driving, entertainment, etc. A more realistic simulation with accurate physics will effectively narrow the sim-to-real gap and allow us to gather rich information about the real world conveniently. While traditional manual modeling has enabled the creation of virtual 3D scenes, modern approaches have leveraged advanced machine learning algorithms for 3D world generation, with most recent advances focusing on generative methods that can create virtual worlds based on user instructions. This work explores such a research direction by proposing LatticeWorld, a simple yet effective 3D world generation framework that streamlines the industrial production pipeline of 3D environments. LatticeWorld leverages lightweight LLMs (LLaMA-2-7B) alongside the industry-grade rendering engine (e.g., Unreal Engine 5) to generate a dynamic environment. Our proposed framework accepts textual descriptions and visual instructions as multimodal inputs and creates large-scale 3D interactive worlds with dynamic agents, featuring competitive multi-agent interaction, high-fidelity physics simulation, and real-time rendering. We conduct comprehensive experiments to evaluate LatticeWorld, showing that it achieves superior accuracy in scene layout generation and visual fidelity. Moreover, LatticeWorld achieves over a 90times increase in industrial production efficiency while maintaining high creative quality compared with traditional manual production methods. Our demo video is available at https://youtu.be/8VWZXpERR18

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 present CaloClouds3, a model for the fast simulation of photon showers in the barrel of a high granularity detector. This iteration demonstrates for the first time how a pointcloud model can employ angular conditioning to replicate photons at all incident angles. Showers produced by this model can be used across the whole detector barrel, due to specially produced position agnostic training data. With this flexibility, the model is usable in a full simulation and reconstruction chain, which offers a further handle for evaluating physics performance of the model. As inference time is a crucial consideration for a generative model, the pre-processing and hyperparameters are aggressively optimised, achieving a speed up factor of two orders of magnitude over Geant4 at inference.

Reconstructing the early universe from the evolved present-day universe is a challenging and computationally demanding problem in modern astrophysics. We devise a novel generative framework, Cosmo3DFlow, designed to address dimensionality and sparsity, the critical bottlenecks inherent in current state-of-the-art methods for cosmological inference. By integrating 3D Discrete Wavelet Transform (DWT) with flow matching, we effectively represent high-dimensional cosmological structures. The Wavelet Transform addresses the ``void problem'' by translating spatial emptiness into spectral sparsity. It decouples high-frequency details from low-frequency structures, and wavelet-space velocity fields facilitate stable ordinary differential equation (ODE) solvers with large step sizes. Using large-scale cosmological N-body simulations at 128^3 resolution, we achieve up to 46times faster sampling than diffusion models. Our results enable initial conditions to be sampled in seconds, compared to minutes for previous methods.

Autonomous-driving simulators typically trade physical fidelity for scalable parallelism. Physics-based platforms such as CARLA and MetaDrive provide articulated vehicle dynamics and contact, but their non-vectorized interfaces make batched training difficult. GPU-batched systems such as Waymax and GPUDrive scale to hundreds of scenarios by replacing rigid-body physics with simplified kinematic models, omitting tire--road interaction, suspension, contact dynamics, and road-condition-dependent friction. We introduce SceneFactory, a GPU-vectorized platform for procedural scene construction, physics-based multi-agent simulation, and RL in autonomous-driving environments. Built on NVIDIA Isaac Sim + Isaac Lab, SceneFactory represents worlds and agents as batched tensors: control, observations, rewards, resets, and policy inference run as GPU tensor operations over the Isaac Lab tensor API. SceneFactory converts Waymo Open Motion Dataset road topologies into simulation-ready USD worlds, runs many worlds concurrently on one GPU, populates each with multiple articulated PhysX vehicles, and maps precipitation and road-surface type to PhysX material friction coefficients. With GPU vectorization, SceneFactory achieves up to 127times higher throughput than a non-vectorized PhysX baseline on the same GPU and physics solver, reaching 19,250 controlled-agent simulation steps per second at 256 worlds times 16 agents. Cross-simulator transfer reveals an asymmetric dynamics gap: physics-grounded RL policies transfer to a simplified kinematic bicycle model with 99.5% success, whereas reverse transfer drops to 47.3%. Under wet-road friction, friction-aware policies reduce mean peak DRAC from 58.7 to 27.8,m/s^2 without sacrificing goal reach. SceneFactory shows that scalable autonomous-driving training need not discard articulated rigid-body dynamics or physically grounded road-condition variation.

Machine learning-based surrogate models have emerged as a powerful tool to accelerate simulation-driven scientific workflows. However, their widespread adoption is hindered by the lack of large-scale, diverse, and standardized datasets tailored to physics-based simulations. While existing initiatives provide valuable contributions, many are limited in scope-focusing on specific physics domains, relying on fragmented tooling, or adhering to overly simplistic datamodels that restrict generalization. To address these limitations, we introduce PLAID (Physics-Learning AI Datamodel), a flexible and extensible framework for representing and sharing datasets of physics simulations. PLAID defines a unified standard for describing simulation data and is accompanied by a library for creating, reading, and manipulating complex datasets across a wide range of physical use cases (gitlab.com/drti/plaid). We release six carefully crafted datasets under the PLAID standard, covering structural mechanics and computational fluid dynamics, and provide baseline benchmarks using representative learning methods. Benchmarking tools are made available on Hugging Face, enabling direct participation by the community and contribution to ongoing evaluation efforts (huggingface.co/PLAIDcompetitions).

Foundation models have achieved remarkable success across video, image, and language domains. By scaling up the number of parameters and training datasets, these models acquire generalizable world knowledge and often surpass task-specific approaches. However, such progress has yet to extend to the domain of physics simulation. A primary bottleneck is data scarcity: while millions of images, videos, and textual resources are readily available on the internet, the largest physics simulation datasets contain only tens of thousands of samples. This data limitation hinders the use of large models, as overfitting becomes a major concern. As a result, physics applications typically rely on small models, which struggle with long-range prediction due to limited context understanding. Additionally, unlike images, videos, or text-which typically exhibit fixed granularity-physics datasets often vary drastically in scale, amplifying the challenges of scaling up multitask training. We introduce PhysiX, the first large-scale foundation model for physics simulation. PhysiX is a 4.5B parameter autoregressive generative model. It uses a discrete tokenizer to encode physical processes at different scales into a sequence of discrete tokens, and employs an autoregressive next-token prediction objective to model such processes in the token space. To mitigate the rounding error in the discretization process, PhysiX incorporates a specialized refinement module. Through extensive experiments, we show that PhysiX effectively addresses the data bottleneck, outperforming task-specific baselines under comparable settings as well as the previous absolute state-of-the-art approaches on The Well benchmark. Our results indicate that knowledge learned from natural videos can be successfully transferred to physics simulation, and that joint training across diverse simulation tasks enables synergistic learning.

Achieving spatial intelligence requires moving beyond visual plausibility to build world simulators grounded in physical laws. While coding LLMs have advanced static 3D scene generation, extending this paradigm to 4D dynamics remains a critical frontier. This task presents two fundamental challenges: multi-scale context entanglement, where monolithic generation fails to balance local object structures with global environmental layouts; and a semantic-physical execution gap, where open-loop code generation leads to physical hallucinations lacking dynamic fidelity. We introduce Code2Worlds, a framework that formulates 4D generation as language-to-simulation code generation. First, we propose a dual-stream architecture that disentangles retrieval-augmented object generation from hierarchical environmental orchestration. Second, to ensure dynamic fidelity, we establish a physics-aware closed-loop mechanism in which a PostProcess Agent scripts dynamics, coupled with a VLM-Motion Critic that performs self-reflection to iteratively refine simulation code. Evaluations on the Code4D benchmark show Code2Worlds outperforms baselines with a 41% SGS gain and 49% higher Richness, while uniquely generating physics-aware dynamics absent in prior static methods. Code: https://github.com/AIGeeksGroup/Code2Worlds. Website: https://aigeeksgroup.github.io/Code2Worlds.

We introduce PhysGaia, a novel physics-aware benchmark for Dynamic Novel View Synthesis (DyNVS) that encompasses both structured objects and unstructured physical phenomena. While existing datasets primarily focus on photorealistic appearance, PhysGaia is specifically designed to support physics-consistent dynamic reconstruction. Our benchmark features complex scenarios with rich multi-body interactions, where objects realistically collide and exchange forces. Furthermore, it incorporates a diverse range of materials, including liquid, gas, textile, and rheological substance, moving beyond the rigid-body assumptions prevalent in prior work. To ensure physical fidelity, all scenes in PhysGaia are generated using material-specific physics solvers that strictly adhere to fundamental physical laws. We provide comprehensive ground-truth information, including 3D particle trajectories and physical parameters (e.g., viscosity), enabling the quantitative evaluation of physical modeling. To facilitate research adoption, we also provide integration pipelines for recent 4D Gaussian Splatting models along with our dataset and their results. By addressing the critical shortage of physics-aware benchmarks, PhysGaia can significantly advance research in dynamic view synthesis, physics-based scene understanding, and the integration of deep learning with physical simulation, ultimately enabling more faithful reconstruction and interpretation of complex dynamic scenes.

Normalizing flows (NF) are a class of powerful generative models that have gained popularity in recent years due to their ability to model complex distributions with high flexibility and expressiveness. In this work, we introduce a new type of normalizing flow that is tailored for modeling positions and orientations of multiple objects in three-dimensional space, such as molecules in a crystal. Our approach is based on two key ideas: first, we define smooth and expressive flows on the group of unit quaternions, which allows us to capture the continuous rotational motion of rigid bodies; second, we use the double cover property of unit quaternions to define a proper density on the rotation group. This ensures that our model can be trained using standard likelihood-based methods or variational inference with respect to a thermodynamic target density. We evaluate the method by training Boltzmann generators for two molecular examples, namely the multi-modal density of a tetrahedral system in an external field and the ice XI phase in the TIP4P water model. Our flows can be combined with flows operating on the internal degrees of freedom of molecules and constitute an important step towards the modeling of distributions of many interacting molecules.

Mimicking realistic dynamics in 3D garment animations is a challenging task due to the complex nature of multi-layered garments and the variety of outer forces involved. Existing approaches mostly focus on single-layered garments driven by only human bodies and struggle to handle general scenarios. In this paper, we propose a novel data-driven method, called LayersNet, to model garment-level animations as particle-wise interactions in a micro physics system. We improve simulation efficiency by representing garments as patch-level particles in a two-level structural hierarchy. Moreover, we introduce a novel Rotation Equivalent Transformation that leverages the rotation invariance and additivity of physics systems to better model outer forces. To verify the effectiveness of our approach and bridge the gap between experimental environments and real-world scenarios, we introduce a new challenging dataset, D-LAYERS, containing 700K frames of dynamics of 4,900 different combinations of multi-layered garments driven by both human bodies and randomly sampled wind. Our experiments show that LayersNet achieves superior performance both quantitatively and qualitatively. We will make the dataset and code publicly available at https://mmlab-ntu.github.io/project/layersnet/index.html .

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.

Humans possess an exceptional ability to imagine 4D scenes, encompassing both motion and 3D geometry, from a single still image. This ability is rooted in our accumulated observations of similar scenes and an intuitive understanding of physics. In this paper, we aim to replicate this capacity in neural networks, specifically focusing on natural fluid imagery. Existing methods for this task typically employ simplistic 2D motion estimators to animate the image, leading to motion predictions that often defy physical principles, resulting in unrealistic animations. Our approach introduces a novel method for generating 4D scenes with physics-consistent animation from a single image. We propose the use of a physics-informed neural network that predicts motion for each surface point, guided by a loss term derived from fundamental physical principles, including the Navier-Stokes equations. To capture appearance, we predict feature-based 3D Gaussians from the input image and its estimated depth, which are then animated using the predicted motions and rendered from any desired camera perspective. Experimental results highlight the effectiveness of our method in producing physically plausible animations, showcasing significant performance improvements over existing methods. Our project page is https://physfluid.github.io/ .

Accurate aerodynamic modeling of satellites in very low Earth orbit (VLEO) requires gas-surface interaction (GSI) models that capture the full velocity spectrum from thermal to orbital speeds. Atmospheric particles initially strike spacecraft surfaces at hypersonic velocities of 6 000 - 10 000 m/s. Due to surface roughness and complex geometries, especially within air-breathing electric propulsion (ABEP) intake systems, multiple collisions occur, progressively reducing the particle velocities. A recent machine learning framework for deriving scattering kernels from molecular dynamics (MD) simulations has shown promise, but remains limited to high-velocity single impacts and possibly violates fundamental equilibrium principles such as detailed balance. This work extends this machine learning based scattering kernel to cover the complete velocity range using conditional normalizing flows trained with physics-informed constraints, enabling accurate modeling of multi-bounce scenarios in realistic VLEO applications. We train a conditional Real-valued Non-Volume Preserving (cRealNVP) model on expanded molecular dynamics simulations covering velocities from thermal to hypersonic speeds, incorporating a detailed balance loss term. The resulting model demonstrates improved accuracy compared to previous approaches even in the original high-velocity regime, while successfully capturing thermal-velocity scattering. Quantitative assessment shows that thermalization is approximated within acceptable tolerances. This framework provides essential capabilities for accurate ABEP intake optimization and VLEO mission planning while offering a general methodology applicable to broader rarefied gas dynamics problems requiring thermodynamic consistency.

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 conditions for simulation. A differentiable 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 consistency, and visual quality. Beyond high-quality generation, PAT3D uniquely enables simulation-ready 3D scenes for downstream tasks such as scene editing and robotic manipulation. Code and data are available at: https://github.com/Simulation-Intelligence/PAT3D.

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

Dynamic objects in our physical 4D (3D + time) world are constantly evolving, deforming, and interacting with other objects, leading to diverse 4D scene dynamics. In this paper, we present a universal generative pipeline, CHORD, for CHOReographing Dynamic objects and scenes and synthesizing this type of phenomena. Traditional rule-based graphics pipelines to create these dynamics are based on category-specific heuristics, yet are labor-intensive and not scalable. Recent learning-based methods typically demand large-scale datasets, which may not cover all object categories in interest. Our approach instead inherits the universality from the video generative models by proposing a distillation-based pipeline to extract the rich Lagrangian motion information hidden in the Eulerian representations of 2D videos. Our method is universal, versatile, and category-agnostic. We demonstrate its effectiveness by conducting experiments to generate a diverse range of multi-body 4D dynamics, show its advantage compared to existing methods, and demonstrate its applicability in generating robotics manipulation policies. Project page: https://yanzhelyu.github.io/chord

High-fidelity simulations and complex inverse problems, such as detector modeling and unfolding, are computationally intensive bottlenecks across subatomic physics, yet essential for accurate physical interpretation. While Conditional Flow Matching (CFM) offers a robust acceleration approach, we demonstrate its standard training loss is fundamentally misleading. Specifically, utilizing a Jefferson Lab Nuclear Physics (NP) kinematic dataset (γp to ρ^0 p to π^+π^- p), we expose that CFM loss plateaus prematurely, obscuring ongoing physical refinement. To verify this disconnect is a dataset-agnostic pathology, we introduce ScatterPrism, an efficient generative surrogate evaluated against both the NP data and synthetic stress tests modeling challenging 1D distribution topologies. Coupling these benchmarks, we establish that physics-informed metrics continue improving long after standard loss converges. Consequently, we propose a multi-metric diagnostic protocol to ensure true kinematic fidelity without data memorization. Driven by NP challenges relevant to the forthcoming Electron-Ion Collider (EIC), this unified machinery has strong potential to extend to High-Energy Physics (HEP) applications, such as jet modeling. Furthermore, the framework holds promise for broader domains requiring rigorous generative reliability, including medical imaging, astrophysics, and quantitative finance.

Modern techniques for physical simulations rely on numerical schemes and mesh-refinement methods to address trade-offs between precision and complexity, but these handcrafted solutions are tedious and require high computational power. Data-driven methods based on large-scale machine learning promise high adaptivity by integrating long-range dependencies more directly and efficiently. In this work, we focus on fluid dynamics and address the shortcomings of a large part of the literature, which are based on fixed support for computations and predictions in the form of regular or irregular grids. We propose a novel setup to perform predictions in a continuous spatial and temporal domain while being trained on sparse observations. We formulate the task as a double observation problem and propose a solution with two interlinked dynamical systems defined on, respectively, the sparse positions and the continuous domain, which allows to forecast and interpolate a solution from the initial condition. Our practical implementation involves recurrent GNNs and a spatio-temporal attention observer capable of interpolating the solution at arbitrary locations. Our model not only generalizes to new initial conditions (as standard auto-regressive models do) but also performs evaluation at arbitrary space and time locations. We evaluate on three standard datasets in fluid dynamics and compare to strong baselines, which are outperformed both in classical settings and in the extended new task requiring continuous predictions.

We introduce Cosmos-Transfer, a conditional world generation model that can generate world simulations based on multiple spatial control inputs of various modalities such as segmentation, depth, and edge. In the design, the spatial conditional scheme is adaptive and customizable. It allows weighting different conditional inputs differently at different spatial locations. This enables highly controllable world generation and finds use in various world-to-world transfer use cases, including Sim2Real. We conduct extensive evaluations to analyze the proposed model and demonstrate its applications for Physical AI, including robotics Sim2Real and autonomous vehicle data enrichment. We further demonstrate an inference scaling strategy to achieve real-time world generation with an NVIDIA GB200 NVL72 rack. To help accelerate research development in the field, we open-source our models and code at https://github.com/nvidia-cosmos/cosmos-transfer1.

Generative models have emerged as a powerful paradigm for solving physics systems and modeling complex spatiotemporal dynamics. However, achieving high physical accuracy without incurring high computational cost remains a fundamental challenge, as existing approaches face a critical speed-fidelity trade-off. In this work, we introduce Recursive Flow Matching (RecFM), a generative framework for forecasting complex spatiotemporal dynamics. RecFM enforces self-consistency to align trajectories across discretization scales, reducing discretization errors and improving performance across metrics for physics-based tasks. To our knowledge, this is the first method to achieve high-fidelity one- and few-step (2-4 step) dynamic generation for scientific systems with performance comparable to state-of-the-art multi-step solvers. Across challenging scientific benchmarks, RecFM achieves up to a 20times speedup over leading diffusion-based emulators while improving predictive accuracy. Furthermore, RecFM reduces mean squared error by over 15% compared to vanilla flow matching, offering a scalable and efficient solution for real-time scientific emulation.

Diffusion-based image generation models such as DALL-E 3 and Stable Diffusion-XL demonstrate remarkable capabilities in generating images with realistic and unique compositions. Yet, these models are not robust in precisely reasoning about physical and spatial configurations of objects, especially when instructed with unconventional, thereby out-of-distribution descriptions, such as "a chair with five legs". In this paper, we propose a language agent with chain-of-3D-thoughts (L3GO), an inference-time approach that can reason about part-based 3D mesh generation of unconventional objects that current data-driven diffusion models struggle with. More concretely, we use large language models as agents to compose a desired object via trial-and-error within the 3D simulation environment. To facilitate our investigation, we develop a new benchmark, Unconventionally Feasible Objects (UFO), as well as SimpleBlenv, a wrapper environment built on top of Blender where language agents can build and compose atomic building blocks via API calls. Human and automatic GPT-4V evaluations show that our approach surpasses the standard GPT-4 and other language agents (e.g., ReAct and Reflexion) for 3D mesh generation on ShapeNet. Moreover, when tested on our UFO benchmark, our approach outperforms other state-of-the-art text-to-2D image and text-to-3D models based on human evaluation.

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is typically formulated as an optimization problem, with recent works leveraging optimization across learned dynamics models. However, as models are optimized they tend to fall into adversarial modes, preventing effective sampling. We illustrate that by instead optimizing over the learned energy function captured by the diffusion model, we can avoid such adversarial examples and significantly improve design performance. We further illustrate how such a design system is compositional, enabling us to combine multiple different diffusion models representing subcomponents of our desired system to design systems with every specified component. In an N-body interaction task and a challenging 2D multi-airfoil design task, we demonstrate that by composing the learned diffusion model at test time, our method allows us to design initial states and boundary shapes that are more complex than those in the training data. Our method generalizes to more objects for N-body dataset and discovers formation flying to minimize drag in the multi-airfoil design task. Project website and code can be found at https://github.com/AI4Science-WestlakeU/cindm.

The ability to resolve complex physical phenomena with high fidelity and at low computational cost is central to addressing key challenges in modern engineering. A prime example lies in hypersonic flows, where the precise prediction of the full flowfield topology, in particular with respect to shock wave location and intensity, is critical. Yet supersonic and hypersonic flows continue to be a stumbling block for traditional reduced-order models and neural emulators that struggle to capture steep gradients in flow states with physical consistency in applications of industrial relevance. To that end, we introduce a fully GPU based workflow that integrates accelerated data generation with the training of neural emulators augmented by uncertainty quantification and physics-aware refinement. Our workflow is enabled by a differentiable high-fidelity solver (JAX-Fluids) which we employ for rapid dataset creation and residual-based improvement of the neural emulator to enhance physical consistency. Building on this framework, we first present a suite of model architectures and analyze their scaling behavior to expose their strengths and shortcomings. We then show that residual-based refinement enables training on cases where only mesh and input parameters are available, substantially reducing residuals and improving physical consistency. Together, differentiable simulation and residual-based refinement yield physics emulators that remain reliable beyond their training distribution, a key requirement for deploying surrogates in real-world engineering design loops.

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude faster, but traditional surrogates are inflexible or inaccurate and pure machine learning (ML)-based surrogates too data-hungry. We propose a hybrid, flexible surrogate model that exploits known physics for simulating large-scale dynamics and limits learning to the hard-to-model term, which is called parametrization or closure and captures the effect of fine- onto large-scale dynamics. Leveraging neural operators, we are the first to learn grid-independent, non-local, and flexible parametrizations. Our multiscale neural operator is motivated by a rich literature in multiscale modeling, has quasilinear runtime complexity, is more accurate or flexible than state-of-the-art parametrizations and demonstrated on the chaotic equation multiscale Lorenz96.

Generative models have advanced significantly in sampling material systems with continuous variables, such as atomistic structures. However, their application to discrete variables, like atom types or spin states, remains underexplored. In this work, we introduce a Boltzmann generator built on discrete flow matching, specifically tailored for systems with discrete phase-space coordinates (e.g., the Ising model or crystalline compounds). This approach enables a single model to sample free energy surfaces over a wide temperature range with minimal training overhead. In addition, the model generation is scalable to larger lattice sizes than those in the training set. We demonstrate the effectiveness of our approach on the 2D Ising model, showing efficient and reliable free energy sampling. This framework provides a scalable and computationally efficient solution for discrete coordinate systems and can be extended to sample the alchemical degrees of freedom in crystalline compounds.

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.

We present N-body simulations, including post-Newtonian dynamics, of dense clusters of low-mass stars harbouring central black holes (BHs) with initial masses of 50, 300, and 2000 M_{odot}. The models are evolved with the N-body code bifrost to investigate the possible formation and growth of massive BHs by the tidal capture of stars and tidal disruption events (TDEs). We model star-BH tidal interactions using a velocity-dependent drag force, which causes orbital energy and angular momentum loss near the BH. About sim 20-30 per cent of the stars within the spheres of influence of the black holes form Bahcall-Wolf cusps and prevent the systems from core collapse. Within the first 40 Myr of evolution, the systems experience 500 up to 1300 TDEs, depending on the initial cluster structure. Most (> 95 per cent) of the TDEs originate from stars in the Bahcall-Wolf cusp. We derive an analytical formula for the TDE rate as a function of the central BH mass, density and velocity dispersion of the clusters (N_{TDE} propto M_{BH} rho sigma^{-3}). We find that TDEs can lead a 300 M_{odot} BH to reach sim 7000 M_{odot} within a Gyr. This indicates that TDEs can drive the formation and growth of massive BHs in sufficiently dense environments, which might be present in the central regions of nuclear star clusters.

Post-training is essential for enabling large language models (LLMs) to follow human instructions. However, its effectiveness depends on high-quality instruction data, which is challenging to obtain in the real world due to privacy concerns, data scarcity, and high annotation costs. To fill this gap, inspired by the recent success of using LLMs to simulate human society, we propose MATRIX, a multi-agent simulator that automatically generates diverse text-based scenarios, capturing a wide range of real-world human needs in a realistic and scalable manner. Leveraging these outputs, we introduce a novel scenario-driven instruction generator MATRIX-Gen for controllable and highly realistic data synthesis. Extensive experiments demonstrate that our framework effectively generates both general and domain-specific data. On AlpacaEval 2 and Arena-Hard benchmarks, Llama-3-8B-Base, post-trained on datasets synthesized by MATRIX-Gen with just 20K instruction-response pairs, outperforms Meta's Llama-3-8B-Instruct model, which was trained on over 10M pairs.

Traditional sociological research often relies on human participation, which, though effective, is expensive, challenging to scale, and with ethical concerns. Recent advancements in large language models (LLMs) highlight their potential to simulate human behavior, enabling the replication of individual responses and facilitating studies on many interdisciplinary studies. In this paper, we conduct a comprehensive survey of this field, illustrating the recent progress in simulation driven by LLM-empowered agents. We categorize the simulations into three types: (1) Individual Simulation, which mimics specific individuals or demographic groups; (2) Scenario Simulation, where multiple agents collaborate to achieve goals within specific contexts; and (3) Society Simulation, which models interactions within agent societies to reflect the complexity and variety of real-world dynamics. These simulations follow a progression, ranging from detailed individual modeling to large-scale societal phenomena. We provide a detailed discussion of each simulation type, including the architecture or key components of the simulation, the classification of objectives or scenarios and the evaluation method. Afterward, we summarize commonly used datasets and benchmarks. Finally, we discuss the trends across these three types of simulation. A repository for the related sources is at {https://github.com/FudanDISC/SocialAgent}.

We present a neural network emulator to constrain the thermal parameters of the intergalactic medium (IGM) at 5.4z6.0 using the Lyman-displaystylealpha (Lydisplaystylealpha) forest flux auto-correlation function. Our auto-differentiable JAX-based framework accelerates the surrogate model generation process using approximately 100 sparsely sampled Nyx hydrodynamical simulations with varying combinations of thermal parameters, i.e., the temperature at mean density T_{{0}}, the slope of the temperaturedisplaystyle-density relation displaystylegamma, and the mean transmission flux langle{F}{rangle}. We show that this emulator has a typical accuracy of 1.0% across the specified redshift range. Bayesian inference of the IGM thermal parameters, incorporating emulator uncertainty propagation, is further expedited using NumPyro Hamiltonian Monte Carlo. We compare both the inference results and computational cost of our framework with the traditional nearest-neighbor interpolation approach applied to the same set of mock Lyalpha flux. By examining the credibility contours of the marginalized posteriors for T_{{0}},gamma,and{langle}{F}{rangle} obtained using the emulator, the statistical reliability of measurements is established through inference on 100 realistic mock data sets of the auto-correlation function.

We propose a neural physics system for real-time, interactive fluid simulations. Traditional physics-based methods, while accurate, are computationally intensive and suffer from latency issues. Recent machine-learning methods reduce computational costs while preserving fidelity; yet most still fail to satisfy the latency constraints for real-time use and lack support for interactive applications. To bridge this gap, we introduce a novel hybrid method that integrates numerical simulation, neural physics, and generative control. Our neural physics jointly pursues low-latency simulation and high physical fidelity by employing a fallback safeguard to classical numerical solvers. Furthermore, we develop a diffusion-based controller that is trained using a reverse modeling strategy to generate external dynamic force fields for fluid manipulation. Our system demonstrates robust performance across diverse 2D/3D scenarios, material types, and obstacle interactions, achieving real-time simulations at high frame rates (11~29% latency) while enabling fluid control guided by user-friendly freehand sketches. We present a significant step towards practical, controllable, and physically plausible fluid simulations for real-time interactive applications. We promise to release both models and data upon acceptance.

We propose using Normalizing Flows as a trainable kernel within the molecular dynamics update of Hamiltonian Monte Carlo (HMC). By learning (invertible) transformations that simplify our dynamics, we can outperform traditional methods at generating independent configurations. We show that, using a carefully constructed network architecture, our approach can be easily scaled to large lattice volumes with minimal retraining effort. The source code for our implementation is publicly available online at https://github.com/nftqcd/fthmc.

Nowadays, autonomous cars can drive smoothly in ordinary cases, and it is widely recognized that realistic sensor simulation will play a critical role in solving remaining corner cases by simulating them. To this end, we propose an autonomous driving simulator based upon neural radiance fields (NeRFs). Compared with existing works, ours has three notable features: (1) Instance-aware. Our simulator models the foreground instances and background environments separately with independent networks so that the static (e.g., size and appearance) and dynamic (e.g., trajectory) properties of instances can be controlled separately. (2) Modular. Our simulator allows flexible switching between different modern NeRF-related backbones, sampling strategies, input modalities, etc. We expect this modular design to boost academic progress and industrial deployment of NeRF-based autonomous driving simulation. (3) Realistic. Our simulator set new state-of-the-art photo-realism results given the best module selection. Our simulator will be open-sourced while most of our counterparts are not. Project page: https://open-air-sun.github.io/mars/.

We present results on the star cluster properties from a series of high resolution smoothed particles hydrodynamics (SPH) simulations of isolated dwarf galaxies as part of the GRIFFIN project. The simulations at sub-parsec spatial resolution and a minimum particle mass of 4 M_odot incorporate non-equilibrium heating, cooling and chemistry processes, and realise individual massive stars. All the simulations follow feedback channels of massive stars that include the interstellar-radiation field, that is variable in space and time, the radiation input by photo-ionisation and supernova explosions. Varying the star formation efficiency per free-fall time in the range epsilon_ff = 0.2 - 50% neither changes the star formation rates nor the outflow rates. While the environmental densities at star formation change significantly with epsilon_ff, the ambient densities of supernovae are independent of epsilon_ff indicating a decoupling of the two processes. At low epsilon_ff, more massive, and increasingly more bound star clusters are formed, which are typically not destroyed. With increasing epsilon_ff there is a trend for shallower cluster mass functions and the cluster formation efficiency Gamma for young bound clusters decreases from 50 % to sim 1 % showing evidence for cluster disruption. However, none of our simulations form low mass (< 10^3 M_odot) clusters with structural properties in perfect agreement with observations. Traditional star formation models used in galaxy formation simulations based on local free-fall times might therefore not be able to capture low mass star cluster properties without significant fine-tuning.

Accurate and efficient physical simulations are essential in science and engineering, yet traditional numerical solvers face significant challenges in computational cost when handling simulations across dynamic scenarios involving complex geometries, varying boundary/initial conditions, and diverse physical parameters. While deep learning offers promising alternatives, existing methods often struggle with flexibility and generalization, particularly on unstructured meshes, which significantly limits their practical applicability. To address these challenges, we propose PhysGTO, an efficient Graph-Transformer Operator for learning physical dynamics through explicit manifold embeddings in both physical and latent spaces. In the physical space, the proposed Unified Graph Embedding module aligns node-level conditions and constructs sparse yet structure-preserving graph connectivity to process heterogeneous inputs. In the latent space, PhysGTO integrates a lightweight flux-oriented message-passing scheme with projection-inspired attention to capture local and global dependencies, facilitating multilevel interactions among complex physical correlations. This design ensures linear complexity relative to the number of mesh points, reducing both the number of trainable parameters and computational costs in terms of floating-point operations (FLOPs), and thereby allowing efficient inference in real-time applications. We introduce a comprehensive benchmark spanning eleven datasets, covering problems with unstructured meshes, transient flow dynamics, and large-scale 3D geometries. PhysGTO consistently achieves state-of-the-art accuracy while significantly reducing computational costs, demonstrating superior flexibility, scalability, and generalization in a wide range of simulation tasks.

Realistic simulation is critical for applications ranging from robotics to animation. Traditional analytic simulators sometimes struggle to capture sufficiently realistic simulation which can lead to problems including the well known "sim-to-real" gap in robotics. Learned simulators have emerged as an alternative for better capturing real-world physical dynamics, but require access to privileged ground truth physics information such as precise object geometry or particle tracks. Here we propose a method for learning simulators directly from observations. Visual Particle Dynamics (VPD) jointly learns a latent particle-based representation of 3D scenes, a neural simulator of the latent particle dynamics, and a renderer that can produce images of the scene from arbitrary views. VPD learns end to end from posed RGB-D videos and does not require access to privileged information. Unlike existing 2D video prediction models, we show that VPD's 3D structure enables scene editing and long-term predictions. These results pave the way for downstream applications ranging from video editing to robotic planning.

Social simulation is transforming traditional social science research by modeling human behavior through interactions between virtual individuals and their environments. With recent advances in large language models (LLMs), this approach has shown growing potential in capturing individual differences and predicting group behaviors. However, existing methods face alignment challenges related to the environment, target users, interaction mechanisms, and behavioral patterns. To this end, we introduce SocioVerse, an LLM-agent-driven world model for social simulation. Our framework features four powerful alignment components and a user pool of 10 million real individuals. To validate its effectiveness, we conducted large-scale simulation experiments across three distinct domains: politics, news, and economics. Results demonstrate that SocioVerse can reflect large-scale population dynamics while ensuring diversity, credibility, and representativeness through standardized procedures and minimal manual adjustments.

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

Realistic simulation of dynamic scenes requires accurately capturing diverse material properties and modeling complex object interactions grounded in physical principles. However, existing methods are constrained to basic material types with limited predictable parameters, making them insufficient to represent the complexity of real-world materials. We introduce a novel approach that leverages multi-modal foundation models and video diffusion to achieve enhanced 4D dynamic scene simulation. Our method utilizes multi-modal models to identify material types and initialize material parameters through image queries, while simultaneously inferring 3D Gaussian splats for detailed scene representation. We further refine these material parameters using video diffusion with a differentiable Material Point Method (MPM) and optical flow guidance rather than render loss or Score Distillation Sampling (SDS) loss. This integrated framework enables accurate prediction and realistic simulation of dynamic interactions in real-world scenarios, advancing both accuracy and flexibility in physics-based simulations.

Interactive world models that simulate object dynamics are crucial for robotics, VR, and AR. However, it remains a significant challenge to learn physics-consistent dynamics models from limited real-world video data, especially for deformable objects with spatially-varying physical properties. To overcome the challenge of data scarcity, we propose PhysWorld, a novel framework that utilizes a simulator to synthesize physically plausible and diverse demonstrations to learn efficient world models. Specifically, we first construct a physics-consistent digital twin within MPM simulator via constitutive model selection and global-to-local optimization of physical properties. Subsequently, we apply part-aware perturbations to the physical properties and generate various motion patterns for the digital twin, synthesizing extensive and diverse demonstrations. Finally, using these demonstrations, we train a lightweight GNN-based world model that is embedded with physical properties. The real video can be used to further refine the physical properties. PhysWorld achieves accurate and fast future predictions for various deformable objects, and also generalizes well to novel interactions. Experiments show that PhysWorld has competitive performance while enabling inference speeds 47 times faster than the recent state-of-the-art method, i.e., PhysTwin.

Novel view synthesis (NVS) enables to generate new images of a scene or convert a set of 2D images into a comprehensive 3D model. In the context of Space Domain Awareness, since space is becoming increasingly congested, NVS can accurately map space objects and debris, improving the safety and efficiency of space operations. Similarly, in Rendezvous and Proximity Operations missions, 3D models can provide details about a target object's shape, size, and orientation, allowing for better planning and prediction of the target's behavior. In this work, we explore the generalization abilities of these reconstruction techniques, aiming to avoid the necessity of retraining for each new scene, by presenting a novel approach to 3D spacecraft reconstruction from single-view images, DreamSat, by fine-tuning the Zero123 XL, a state-of-the-art single-view reconstruction model, on a high-quality dataset of 190 high-quality spacecraft models and integrating it into the DreamGaussian framework. We demonstrate consistent improvements in reconstruction quality across multiple metrics, including Contrastive Language-Image Pretraining (CLIP) score (+0.33%), Peak Signal-to-Noise Ratio (PSNR) (+2.53%), Structural Similarity Index (SSIM) (+2.38%), and Learned Perceptual Image Patch Similarity (LPIPS) (+0.16%) on a test set of 30 previously unseen spacecraft images. Our method addresses the lack of domain-specific 3D reconstruction tools in the space industry by leveraging state-of-the-art diffusion models and 3D Gaussian splatting techniques. This approach maintains the efficiency of the DreamGaussian framework while enhancing the accuracy and detail of spacecraft reconstructions. The code for this work can be accessed on GitHub (https://github.com/ARCLab-MIT/space-nvs).

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.

In this paper, we propose NeoVerse, a versatile 4D world model that is capable of 4D reconstruction, novel-trajectory video generation, and rich downstream applications. We first identify a common limitation of scalability in current 4D world modeling methods, caused either by expensive and specialized multi-view 4D data or by cumbersome training pre-processing. In contrast, our NeoVerse is built upon a core philosophy that makes the full pipeline scalable to diverse in-the-wild monocular videos. Specifically, NeoVerse features pose-free feed-forward 4D reconstruction, online monocular degradation pattern simulation, and other well-aligned techniques. These designs empower NeoVerse with versatility and generalization to various domains. Meanwhile, NeoVerse achieves state-of-the-art performance in standard reconstruction and generation benchmarks. Our project page is available at https://neoverse-4d.github.io

4D content generation focuses on creating dynamic 3D objects that change over time. Existing methods primarily rely on pre-trained video diffusion models, utilizing sampling processes or reference videos. However, these approaches face significant challenges. Firstly, the generated 4D content often fails to adhere to real-world physics since video diffusion models do not incorporate physical priors. Secondly, the extensive sampling process and the large number of parameters in diffusion models result in exceedingly time-consuming generation processes. To address these issues, we introduce Phy124, a novel, fast, and physics-driven method for controllable 4D content generation from a single image. Phy124 integrates physical simulation directly into the 4D generation process, ensuring that the resulting 4D content adheres to natural physical laws. Phy124 also eliminates the use of diffusion models during the 4D dynamics generation phase, significantly speeding up the process. Phy124 allows for the control of 4D dynamics, including movement speed and direction, by manipulating external forces. Extensive experiments demonstrate that Phy124 generates high-fidelity 4D content with significantly reduced inference times, achieving stateof-the-art performance. The code and generated 4D content are available at the provided link: https://anonymous.4open.science/r/BBF2/.

We present PDE-Agents, a multi-agent ecosystem that automates the full lifecycle of partial differential equation (PDE) / finite element method (FEM) simulations through natural-language interaction. Three specialist large language model (LLM) agents (Simulation, Analytics, Database) are orchestrated via a LangGraph supervisor, with a local open-source LLM stack (Qwen3-Coder-Next, Llama 4 Scout) on dual NVIDIA RTX PRO 6000 GPUs. The architecture is model-agnostic, validated across two LLM generations. A GraphRAG knowledge base (Neo4j, 768-d vector embeddings) encodes curated material properties, known failure patterns, and prior run lineage. We report seven contributions: (i) a verification and validation (V&V) study confirming second-order spatial convergence (O(h^2)) on the heat-equation solver; (ii) a three-way ablation over 50 tasks with a frozen KG (KG On, KG Off, KG Smart), where KG Smart reaches 100% success and the highest output quality (physics 0.933 vs. 0.853 for KG Off; MPF 0.926 vs. 0.796); (iii) a novel-material experiment with three fictional materials known only to the KG, where KG Smart attains near-perfect material property fidelity (MPF = 1.00) versus 0.34 for the KG-free baseline; (iv) a failure analysis tracing KG On's three failures to budget exhaustion and timeout, establishing warm-start injection as the dominant reliability factor; (v) an adaptive framework selecting the optimal retrieval mode per task; (vi) production metrics from 1,369 runs (97.8% success, 57.6% first-try); and (vii) a 100-task KG growth experiment showing a difficulty-dependent gain, with hard-task MPF improving 8.8% while easy/novel tasks stay at ceiling. All code, models, and evaluation artifacts are released openly. Our findings show that integration pattern, not knowledge content, determines whether GraphRAG augmentation helps or hinders LLM agents.

OpenAI's Sora highlights the potential of video generation for developing world models that adhere to fundamental physical laws. However, the ability of video generation models to discover such laws purely from visual data without human priors can be questioned. A world model learning the true law should give predictions robust to nuances and correctly extrapolate on unseen scenarios. In this work, we evaluate across three key scenarios: in-distribution, out-of-distribution, and combinatorial generalization. We developed a 2D simulation testbed for object movement and collisions to generate videos deterministically governed by one or more classical mechanics laws. This provides an unlimited supply of data for large-scale experimentation and enables quantitative evaluation of whether the generated videos adhere to physical laws. We trained diffusion-based video generation models to predict object movements based on initial frames. Our scaling experiments show perfect generalization within the distribution, measurable scaling behavior for combinatorial generalization, but failure in out-of-distribution scenarios. Further experiments reveal two key insights about the generalization mechanisms of these models: (1) the models fail to abstract general physical rules and instead exhibit "case-based" generalization behavior, i.e., mimicking the closest training example; (2) when generalizing to new cases, models are observed to prioritize different factors when referencing training data: color > size > velocity > shape. Our study suggests that scaling alone is insufficient for video generation models to uncover fundamental physical laws, despite its role in Sora's broader success. See our project page at https://phyworld.github.io

Physics-informed neural networks (PINNs) have emerged as a powerful paradigm for solving partial differential equations (PDEs) by embedding physical laws directly into neural network training. However, solving high-fidelity PDEs remains computationally prohibitive, particularly for parametric systems requiring multiple evaluations across varying parameter configurations. This paper presents MF-BPINN, a novel multi-fidelity framework that synergistically combines physics-informed neural networks with Bayesian uncertainty quantification and adaptive residual learning. Our approach leverages abundant low-fidelity simulations alongside sparse high-fidelity data through a hierarchical neural architecture that learns nonlinear correlations across fidelity levels. We introduce an adaptive residual network with learnable gating mechanisms that dynamically balances linear and nonlinear fidelity discrepancies. Furthermore, we develop a rigorous Bayesian framework employing Hamiltonian Monte Carlo.

MATSim (Multi-Agent Transport Simulation Toolkit) is an open source large-scale agent-based transportation planning project applied to various areas like road transport, public transport, freight transport, regional evacuation, etc. BEAM (Behavior, Energy, Autonomy, and Mobility) framework extends MATSim to enable powerful and scalable analysis of urban transportation systems. The agents from the BEAM simulation exhibit 'mode choice' behavior based on multinomial logit model. In our study, we consider eight mode choices viz. bike, car, walk, ride hail, driving to transit, walking to transit, ride hail to transit, and ride hail pooling. The 'alternative specific constants' for each mode choice are critical hyperparameters in a configuration file related to a particular scenario under experimentation. We use the 'Urbansim-10k' BEAM scenario (with 10,000 population size) for all our experiments. Since these hyperparameters affect the simulation in complex ways, manual calibration methods are time consuming. We present a parallel Bayesian optimization method with early stopping rule to achieve fast convergence for the given multi-in-multi-out problem to its optimal configurations. Our model is based on an open source HpBandSter package. This approach combines hierarchy of several 1D Kernel Density Estimators (KDE) with a cheap evaluator (Hyperband, a single multidimensional KDE). Our model has also incorporated extrapolation based early stopping rule. With our model, we could achieve a 25% L1 norm for a large-scale BEAM simulation in fully autonomous manner. To the best of our knowledge, our work is the first of its kind applied to large-scale multi-agent transportation simulations. This work can be useful for surrogate modeling of scenarios with very large populations.

We describe a novel method for the application of Convolutional Neural Networks (CNNs) to fields defined on the sphere, using the HEALPix tessellation scheme. Specifically, We have developed a pixel-based approach to implement convolutional layers on the spherical surface, similarly to what is commonly done for CNNs in Euclidian space. The algorithm is fully integrable with existing libraries for NNs (e.g., PyTorch or TensorFlow). We present two applications: (i) recognition of handwritten digits projected on the sphere; (ii) estimation of cosmological parameter from Cosmic Microwave Background (CMB) simulated maps. We have built a simple NN architecture, consisting in four convolutional+pooling layers, and have used it for all the applications explored herein. For what concerns the handwritten digits, our CNN reaches an accuracy of about 95%, comparable with other existing spherical CNNs. For CMB applications, we have tested the CNN on the estimation of a "mock" parameter, defining the angular scale at which the power spectrum of a Gaussian field projected on the sphere peaks. We have estimated this parameter directly from maps, in several cases: temperature and polarization, presence of noise and partial sky coverage. In all the cases, the NN performances are comparable with those from standard spectrum-based bayesian methods. We demonstrate, for the first time, the capability of CNNs to extract information from polarization fields and to distinguish between E and B-modes. Lastly, we have applied our CNN to the estimation of the Thomson scattering optical depth at reionization (tau) from simulated CMB maps. Even without any specific optimization of the NN architecture, we reach an accuracy comparable with standard bayesian methods. This work represents a first step towards the exploitation of NNs in CMB parameter estimation and demonstrates the feasibility of our approach.

Simulation offers unique values for both enumeration and extrapolation purposes, and is becoming increasingly important for managing the massive machine learning (ML) clusters and large-scale distributed training jobs. In this paper, we build Echo to tackle three key challenges in large-scale training simulation: (1) tracing the runtime training workloads at each device in an ex-situ fashion so we can use a single device to obtain the actual execution graphs of 1K-GPU training, (2) accurately estimating the collective communication without high overheads of discrete-event based network simulation, and (3) accounting for the interference-induced computation slowdown from overlapping communication and computation kernels on the same device. Echo delivers on average 8% error in training step -- roughly 3x lower than state-of-the-art simulators -- for GPT-175B on a 96-GPU H800 cluster with 3D parallelism on Megatron-LM under 2 minutes.

Recent advances in large language models (LLMs) have enabled social simulation through multi-agent systems. Prior efforts focus on agent societies created from scratch, assigning agents with newly defined personas. However, simulating established fictional worlds and characters remain largely underexplored, despite its significant practical value. In this paper, we introduce BookWorld, a comprehensive system for constructing and simulating book-based multi-agent societies. BookWorld's design covers comprehensive real-world intricacies, including diverse and dynamic characters, fictional worldviews, geographical constraints and changes, e.t.c. BookWorld enables diverse applications including story generation, interactive games and social simulation, offering novel ways to extend and explore beloved fictional works. Through extensive experiments, we demonstrate that BookWorld generates creative, high-quality stories while maintaining fidelity to the source books, surpassing previous methods with a win rate of 75.36%. The code of this paper can be found at the project page: https://bookworld2025.github.io/.

We propose a physics-informed neural particle method (PINN--PM) for the spatially homogeneous Landau equation. The method adopts a Lagrangian interacting-particle formulation and jointly parameterizes the time-dependent score and the characteristic flow map with neural networks. Instead of advancing particles through explicit time stepping, the Landau dynamics is enforced via a continuous-time residual defined along particle trajectories. This design removes time-discretization error and yields a mesh-free solver that can be queried at arbitrary times without sequential integration. We establish a rigorous stability analysis in an L^2_v framework. The deviation between learned and exact characteristics is controlled by three interpretable sources: (i) score approximation error, (ii) empirical particle approximation error, and (iii) the physics residual of the neural flow. This trajectory estimate propagates to density reconstruction, where we derive an L^2_v error bound for kernel density estimators combining classical bias--variance terms with a trajectory-induced contribution. Using Hyvarinen's identity, we further relate the oracle score-matching gap to the L^2_v score error and show that the empirical loss concentrates at the Monte Carlo rate, yielding computable a posteriori accuracy certificates. Numerical experiments on analytical benchmarks, including the two- and three-dimensional BKW solutions, as well as reference-free configurations, demonstrate stable transport, preservation of macroscopic invariants, and competitive or improved accuracy compared with time-stepping score-based particle and blob methods while using significantly fewer particles.

Rapid advancement of machine learning solutions has often coincided with the production of a test public data set. Such datasets reduce the largest barrier to entry for tackling a problem -- procuring data -- while also providing a benchmark to compare different solutions. Furthermore, large datasets have been used to train high-performing feature finders which are then used in new approaches to problems beyond that initially defined. In order to encourage the rapid development in the analysis of data collected using liquid argon time projection chambers, a class of particle detectors used in high energy physics experiments, we have produced the PILArNet, first 2D and 3D open dataset to be used for a couple of key analysis tasks. The initial dataset presented in this paper contains 300,000 samples simulated and recorded in three different volume sizes. The dataset is stored efficiently in sparse 2D and 3D matrix format with auxiliary information about simulated particles in the volume, and is made available for public research use. In this paper we describe the dataset, tasks, and the method used to procure the sample.

Scene representations using 3D Gaussian primitives have produced excellent results in modeling the appearance of static and dynamic 3D scenes. Many graphics applications, however, demand the ability to manipulate both the appearance and the physical properties of objects. We introduce Feature Splatting, an approach that unifies physics-based dynamic scene synthesis with rich semantics from vision language foundation models that are grounded by natural language. Our first contribution is a way to distill high-quality, object-centric vision-language features into 3D Gaussians, that enables semi-automatic scene decomposition using text queries. Our second contribution is a way to synthesize physics-based dynamics from an otherwise static scene using a particle-based simulator, in which material properties are assigned automatically via text queries. We ablate key techniques used in this pipeline, to illustrate the challenge and opportunities in using feature-carrying 3D Gaussians as a unified format for appearance, geometry, material properties and semantics grounded on natural language. Project website: https://feature-splatting.github.io/

In recent years, graph neural networks (GNNs) have shown tremendous promise in solving problems in high energy physics, materials science, and fluid dynamics. In this work, we introduce a new application for GNNs in the physical sciences: instrumentation design. As a case study, we apply GNNs to simulate models of the Laser Interferometer Gravitational-Wave Observatory (LIGO) and show that they are capable of accurately capturing the complex optical physics at play, while achieving runtimes 815 times faster than state of the art simulation packages. We discuss the unique challenges this problem provides for machine learning models. In addition, we provide a dataset of high-fidelity optical physics simulations for three interferometer topologies, which can be used as a benchmarking suite for future work in this direction.

We present Orbit-Space Geometric Probability Paths (OGPP), a particle-native flow-matching framework for generative modeling of particle systems. OGPP is motivated by two insights: (i) particles are defined up to permutation symmetries, so anonymous indexing inflates per-index target variance and yields curved, hard-to-learn flows; and (ii) particles live in physical space, so the flow terminal velocity has physical meaning and can encode geometric attributes, e.g., surface normals. OGPP instantiates three key components: (1) orbit-space canonicalization of the probability-path terminal endpoint, (2) particle index embeddings for role specialization, and (3) geometric probability paths with arc-length-aware terminal velocities that generate normals as a byproduct of the flow. We evaluate OGPP on minimal-surface benchmarks, where it reduces metric error by up to two orders of magnitude in a single inference step; on ShapeNet, where it matches the state of the art with 5x fewer steps and reaches airplane EMD comparable to DiT-3D with 26x fewer parameters and 5x fewer steps; and on single-shape encoding, where it produces normals and reconstructions competitive with 6D generators while operating entirely in 3D.

Converting multi-view RGB observations into simulation-ready 3D environments remains challenging because current reconstruction pipelines produce monolithic scene representations without explicit physical structure. They are typically defined up to an arbitrary global rotation and entangle rigid foreground objects with background geometry, which hinders stable physical interaction. Existing solutions often recover interactivity by replacing reconstructed objects with retrieved CAD assets, but this introduces a slow retrieval-and-replacement stage and weakens scene-specific geometric fidelity. We propose GARDEN, an RGB-only framework that reformulates reconstruction as physically-grounded scene factorization and outputs a structured hybrid scene representation. The key idea is to use gravity as a universal physical prior: we first align the reconstruction to a unified Gravity-View frame to resolve gauge ambiguity, then recover object-centric rigid meshes with accurate 6-DoF placement, and finally remove duplicate object geometry from the background through conditional 3D point classification. The resulting representation combines explicit rigid bodies with a decoupled background, enabling direct physics simulation while preserving visual realism. Experiments on both simulated and real multi-view scenes show that GARDEN improves object placement reliability, disentanglement quality, and rendering-simulation efficiency compared with retrieval-based baselines.

Physical principles are fundamental to realistic visual simulation, but remain a significant oversight in transformer-based video generation. This gap highlights a critical limitation in rendering rigid body motion, a core tenet of classical mechanics. While computer graphics and physics-based simulators can easily model such collisions using Newton formulas, modern pretrain-finetune paradigms discard the concept of object rigidity during pixel-level global denoising. Even perfectly correct mathematical constraints are treated as suboptimal solutions (i.e., conditions) during model optimization in post-training, fundamentally limiting the physical realism of generated videos. Motivated by these considerations, we introduce, for the first time, a physics-aware reinforcement learning paradigm for video generation models that enforces physical collision rules directly in high-dimensional spaces, ensuring the physics knowledge is strictly applied rather than treated as conditions. Subsequently, we extend this paradigm to a unified framework, termed Mimicry-Discovery Cycle (MDcycle), which allows substantial fine-tuning while fully preserving the model's ability to leverage physics-grounded feedback. To validate our approach, we construct new benchmark PhysRVGBench and perform extensive qualitative and quantitative experiments to thoroughly assess its effectiveness.

We introduce the first multiplayer world model for highly dynamic environments governed by complex physical interactions. Whereas single-player world models treat the other agents as part of the environment, ours conditions on the action streams of multiple agents, learning to attribute changes in the scene to the correct player and to stay coherent under arbitrary combinations of their actions. We study this problem in the game of Rocket League, where players compete and cooperate under fast, tightly coupled dynamics. Trained on 10,000 hours of gameplay collected with publicly available bots, our 5-billion-parameter latent diffusion model generates four-player matches in real time, producing 20 frames per second on a single Nvidia B200 GPU. Although trained only on short clips, its rollouts stay stable far beyond the training horizon: distributional quality holds steady out to five minutes, the longest horizon we measure, and in practice we observe rollouts continuing for hours with no sign of collapse. We systematically investigate the central design choices: the video codec, the generative objective, and the multiplayer conditioning scheme. In addition, we characterize how behavior changes with model and data scale, including the capabilities that emerge and the failure modes that persist. We further develop targeted evaluations that probe the model's physical understanding rather than visual appearance alone. To support continued research on multiplayer world models, we release our dataset, our full training and inference codebase, and a live demo.

We introduce [Cosmos-Predict2.5], the latest generation of the Cosmos World Foundation Models for Physical AI. Built on a flow-based architecture, [Cosmos-Predict2.5] unifies Text2World, Image2World, and Video2World generation in a single model and leverages [Cosmos-Reason1], a Physical AI vision-language model, to provide richer text grounding and finer control of world simulation. Trained on 200M curated video clips and refined with reinforcement learning-based post-training, [Cosmos-Predict2.5] achieves substantial improvements over [Cosmos-Predict1] in video quality and instruction alignment, with models released at 2B and 14B scales. These capabilities enable more reliable synthetic data generation, policy evaluation, and closed-loop simulation for robotics and autonomous systems. We further extend the family with [Cosmos-Transfer2.5], a control-net style framework for Sim2Real and Real2Real world translation. Despite being 3.5times smaller than [Cosmos-Transfer1], it delivers higher fidelity and robust long-horizon video generation. Together, these advances establish [Cosmos-Predict2.5] and [Cosmos-Transfer2.5] as versatile tools for scaling embodied intelligence. To accelerate research and deployment in Physical AI, we release source code, pretrained checkpoints, and curated benchmarks under the NVIDIA Open Model License at https://github.com/nvidia-cosmos/cosmos-predict2.5 and https://github.com/nvidia-cosmos/cosmos-transfer2.5. We hope these open resources lower the barrier to adoption and foster innovation in building the next generation of embodied intelligence.

For robots to robustly understand and interact with the physical world, it is highly beneficial to have a comprehensive representation - modelling geometry, physics, and visual observations - that informs perception, planning, and control algorithms. We propose a novel dual Gaussian-Particle representation that models the physical world while (i) enabling predictive simulation of future states and (ii) allowing online correction from visual observations in a dynamic world. Our representation comprises particles that capture the geometrical aspect of objects in the world and can be used alongside a particle-based physics system to anticipate physically plausible future states. Attached to these particles are 3D Gaussians that render images from any viewpoint through a splatting process thus capturing the visual state. By comparing the predicted and observed images, our approach generates visual forces that correct the particle positions while respecting known physical constraints. By integrating predictive physical modelling with continuous visually-derived corrections, our unified representation reasons about the present and future while synchronizing with reality. Our system runs in realtime at 30Hz using only 3 cameras. We validate our approach on 2D and 3D tracking tasks as well as photometric reconstruction quality. Videos are found at https://embodied-gaussians.github.io/.

While there has been significant progress in the field of 3D avatar creation from visual observations, modeling physically plausible dynamics of humans with loose garments remains a challenging problem. Although a few existing works address this problem by leveraging physical simulation, they suffer from limited accuracy or robustness to novel animation inputs. In this work, we present MPMAvatar, a framework for creating 3D human avatars from multi-view videos that supports highly realistic, robust animation, as well as photorealistic rendering from free viewpoints. For accurate and robust dynamics modeling, our key idea is to use a Material Point Method-based simulator, which we carefully tailor to model garments with complex deformations and contact with the underlying body by incorporating an anisotropic constitutive model and a novel collision handling algorithm. We combine this dynamics modeling scheme with our canonical avatar that can be rendered using 3D Gaussian Splatting with quasi-shadowing, enabling high-fidelity rendering for physically realistic animations. In our experiments, we demonstrate that MPMAvatar significantly outperforms the existing state-of-the-art physics-based avatar in terms of (1) dynamics modeling accuracy, (2) rendering accuracy, and (3) robustness and efficiency. Additionally, we present a novel application in which our avatar generalizes to unseen interactions in a zero-shot manner-which was not achievable with previous learning-based methods due to their limited simulation generalizability. Our project page is at: https://KAISTChangmin.github.io/MPMAvatar/

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

The objective of this study is to develop a fully compressible magnetohydrodynamic solver for fast simulations of the global dynamo of the Sun using unstructured grids and GPUs. Accurate modeling of the Sun's convective layers is vital to predicting the Sun's behavior, including the solar dynamo and sunspot cycles. Currently, there are many efficient codes capable of conducting these large simulations; however, many assume an anealastic density distribution. The anelastic assumption is capable of producing accurate results for low mach numbers; however, it fails in regions with a higher mach number and a fully compressible flow must be considered. To avoid these issues, Wang et al. [1] created a Compressible High-ORder Unstructured Spectral difference (CHORUS) code for simulating fluid dynamics inside stars and planets. CHORUS++ augmented the CHORUS code to adopt a higher degree of polynomials by using cubed-sphere meshing and transfinite mapping to perform simulations on unstructured grids [2]. Recently, CHORUS++ was further developed for parallel magnetohydrodynamic (MHD) solutions on GPUs at Clarkson University. In this study the solar benchmark problems presented by Chen et al. [2] are extended to unsteady solar dynamo problems, with two different density scale heights. The CHORUS-MHD code is further accelerated by multiple GPUs and used to successfully solve these solar dynamo benchmark problems. [1] Wang, J., Liang, C., and Miesch, M. S., "A Compressible High-Order Unstructured Spectral Difference Code for Stratified Convection in Rotating Spherical Shells," Journal of Computational Physics, Vol. 290, 2015, pp. 90-111. [2] Chen, K., Liang, C., and Wan, M., "Arbitrarily high-order accurate simulations of compressible rotationally constrained convection using a transfinite mapping on cubed-sphere grids," Physics of Fluids, Vol. 35, 2023, p. 086120.

Simulating trajectories of multi-particle systems on complex energy landscapes is a central task in molecular dynamics (MD) and drug discovery, but remains challenging at scale due to computationally expensive and long simulations. Previous approaches leverage techniques such as flow or Schrödinger bridge matching to implicitly learn joint trajectories through data snapshots. However, many systems, including biomolecular systems and heterogeneous cell populations, undergo dynamic interactions that evolve over their trajectory and cannot be captured through static snapshots. To close this gap, we introduce Entangled Schrödinger Bridge Matching (EntangledSBM), a framework that learns the first- and second-order stochastic dynamics of interacting, multi-particle systems where the direction and magnitude of each particle's path depend dynamically on the paths of the other particles. We define the Entangled Schrödinger Bridge (EntangledSB) problem as solving a coupled system of bias forces that entangle particle velocities. We show that our framework accurately simulates heterogeneous cell populations under perturbations and rare transitions in high-dimensional biomolecular systems.

This document is a hands-on, comprehensive guide to deep learning in the realm of physical simulations. Rather than just theory, we emphasize practical application: every concept is paired with interactive Jupyter notebooks to get you up and running quickly. Beyond traditional supervised learning, we dive into physical loss-constraints, differentiable simulations, diffusion-based approaches for probabilistic generative AI, as well as reinforcement learning and advanced neural network architectures. These foundations are paving the way for the next generation of scientific foundation models. We are living in an era of rapid transformation. These methods have the potential to redefine what's possible in computational science.

We present a multi-modal foundation model for astrophysical galaxy data, designed to map between simulation- and observation-based galactic features. Our encoder-only transformer flexibly ingests scalar quantities (e.g., redshifts, galaxy masses) and vectors (e.g., star formation histories, spectra), supporting multi-task training that includes within-modality reconstruction and cross-modality prediction. With a dynamic masking strategy, the model can query arbitrary galaxy properties from partial inputs -- including predicting spectra from redshift and mass, or estimating photometric redshifts from broadband magnitudes -- while also recovering missing segments within a modality. Trained on 185,000 simulated galaxies from a gigaparsec-scale Cosmology simulation, the model yields a 50% improvement in redshift estimation when combining LSST and SPHEREx photometry over LSST photometry alone, and a 63% improvement in stellar mass inference when combining late-time SFH with LSST photometry over early-time SFH with LSST photometry. The model demonstrates strong generalization across multi-modal tasks and lays the groundwork for future integration of higher-dimensional and structured data such as images, merger trees, and 3D fields. This approach provides a unified framework for connecting simulations and observations, advancing the development of generalizable astrophysical foundation models.

This work aims to develop a method based on a structurally reliable ice model and a statistically and physico-chemically robust approach for BE distribution inference, with the aim to be applicable to various relevant interstellar species. A multiscale computational approach is presented, with a Molecular Dynamics (MD) Heat & Quench protocol for the amorphous water ice model, and an ONIOM(B3LYP-D3(BJ)/6-311+G**:GFN2-xtb) scheme for the BE inference, with a prime emphasis onto the BE/real system size convergence. The sampling of the binding configurations is twofold, exploring both regularly spaced binding sites, as well as various adsorbate-to-substrate orientations on each locally distinct site. This second source of BE diversity accounts for the local roughness of the potential energy landscape of the substrate. Three different adsorbate test cases are considered, i.e. NH3, CO and CH4, owing to their significance in dust icy mantles, and their distinct binding behavior with water ices. The BE distributions for NH3, CO and CH4 have been inferred, with converged statistics. The distribution for NH3 is better represented by a double Gaussian component profile. Three starting adsorbate orientations per site are required to reach convergence for both Gaussian components of NH3, while 2 orientations are sufficient for CO, and one unique for CH4 (symmetric). Further geometrical and molecular surrounding insights have been provided. These results encompass previously reported results.

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

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.

Accurate Subseasonal-to-Seasonal (S2S) ocean simulation is critically important for marine research, yet remains challenging due to its substantial thermal inertia and extended time delay. Machine learning (ML)-based models have demonstrated significant advancements in simulation accuracy and computational efficiency compared to traditional numerical methods. Nevertheless, a significant limitation of current ML models for S2S ocean simulation is their inadequate incorporation of physical consistency and the slow-changing properties of the ocean system. In this work, we propose a neural ocean model (NeuralOM) for S2S ocean simulation with a multi-scale interactive graph neural network to emulate diverse physical phenomena associated with ocean systems effectively. Specifically, we propose a multi-stage framework tailored to model the ocean's slowly changing nature. Additionally, we introduce a multi-scale interactive messaging module to capture complex dynamical behaviors, such as gradient changes and multiplicative coupling relationships inherent in ocean dynamics. Extensive experimental evaluations confirm that our proposed NeuralOM outperforms state-of-the-art models in S2S and extreme event simulation. The codes are available at https://github.com/YuanGao-YG/NeuralOM.

Multi-agent systems (MAS) utilizing multiple Large Language Model agents with Retrieval Augmented Generation and that can execute code locally may become beneficial in cosmological data analysis. Here, we illustrate a first small step towards AI-assisted analyses and a glimpse of the potential of MAS to automate and optimize scientific workflows in Cosmology. The system architecture of our example package, that builds upon the autogen/ag2 framework, can be applied to MAS in any area of quantitative scientific research. The particular task we apply our methods to is the cosmological parameter analysis of the Atacama Cosmology Telescope lensing power spectrum likelihood using Monte Carlo Markov Chains. Our work-in-progress code is open source and available at https://github.com/CMBAgents/cmbagent.

Physics simulation for contact-rich robotics is often bottlenecked by contact resolution: mainstream engines enforce non-penetration and Coulomb friction via complementarity constraints or constrained optimization, requiring per-step iterative solves whose cost grows superlinearly with contact density. We present ComFree-Sim, a GPU-parallelized analytical contact physics engine built on complementarity-free contact modeling. ComFree-Sim computes contact impulses in closed form via an impedance-style prediction--correction update in the dual cone of Coulomb friction. Contact computation decouples across contact pairs and becomes separable across cone facets, mapping naturally to GPU kernels and yielding near-linear runtime scaling with the number of contacts. We further extend the formulation to a unified 6D contact model capturing tangential, torsional, and rolling friction, and introduce a practical dual-cone impedance heuristic. ComFree-Sim is implemented in Warp and exposed through a MuJoCo-compatible interface as a drop-in backend alternative to MuJoCo Warp (MJWarp). Experiments benchmark penetration, friction behaviors, stability, and simulation runtime scaling against MJWarp, demonstrating near-linear scaling and 2--3 times higher throughput in dense contact scenes with comparable physical fidelity. We deploy ComFree-Sim in real-time MPC for in-hand dexterous manipulation on a real-world multi-fingered LEAP hand and in dynamics-aware motion retargeting, demonstrating that low-latency simulation yields higher closed-loop success rates and enables practical high-frequency control in contact-rich tasks.

Initial value problems -- a system of ordinary differential equations and corresponding initial conditions -- can be used to describe many physical phenomena including those arise in classical mechanics. We have developed a novel approach to solve physics-based initial value problems using unsupervised machine learning. We propose a deep learning framework that models the dynamics of a variety of mechanical systems through neural networks. Our framework is flexible, allowing us to solve non-linear, coupled, and chaotic dynamical systems. We demonstrate the effectiveness of our approach on systems including a free particle, a particle in a gravitational field, a classical pendulum, and the H\'enon--Heiles system (a pair of coupled harmonic oscillators with a non-linear perturbation, used in celestial mechanics). Our results show that deep neural networks can successfully approximate solutions to these problems, producing trajectories which conserve physical properties such as energy and those with stationary action. We note that probabilistic activation functions, as defined in this paper, are required to learn any solutions of initial value problems in their strictest sense, and we introduce coupled neural networks to learn solutions of coupled systems.

We develop a framework for on-the-fly machine learned force field molecular dynamics simulations based on the multipole featurization scheme that overcomes the bottleneck with the number of chemical elements. Considering bulk systems with up to 6 elements, we demonstrate that the number of density functional theory calls remains approximately independent of the number of chemical elements, in contrast to the increase in the smooth overlap of atomic positions scheme.

Spatial reasoning tasks in multi-agent environments such as event prediction, agent type identification, or missing data imputation are important for multiple applications (e.g., autonomous surveillance over sensor networks and subtasks for reinforcement learning (RL)). StarCraft II game replays encode intelligent (and adversarial) multi-agent behavior and could provide a testbed for these tasks; however, extracting simple and standardized representations for prototyping these tasks is laborious and hinders reproducibility. In contrast, MNIST and CIFAR10, despite their extreme simplicity, have enabled rapid prototyping and reproducibility of ML methods. Following the simplicity of these datasets, we construct a benchmark spatial reasoning dataset based on StarCraft II replays that exhibit complex multi-agent behaviors, while still being as easy to use as MNIST and CIFAR10. Specifically, we carefully summarize a window of 255 consecutive game states to create 3.6 million summary images from 60,000 replays, including all relevant metadata such as game outcome and player races. We develop three formats of decreasing complexity: Hyperspectral images that include one channel for every unit type (similar to multispectral geospatial images), RGB images that mimic CIFAR10, and grayscale images that mimic MNIST. We show how this dataset can be used for prototyping spatial reasoning methods. All datasets, code for extraction, and code for dataset loading can be found at https://starcraftdata.davidinouye.com

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.

We introduce Orb-v3, the next generation of the Orb family of universal interatomic potentials. Models in this family expand the performance-speed-memory Pareto frontier, offering near SoTA performance across a range of evaluations with a >10x reduction in latency and > 8x reduction in memory. Our experiments systematically traverse this frontier, charting the trade-off induced by roto-equivariance, conservatism and graph sparsity. Contrary to recent literature, we find that non-equivariant, non-conservative architectures can accurately model physical properties, including those which require higher-order derivatives of the potential energy surface. This model release is guided by the principle that the most valuable foundation models for atomic simulation will excel on all fronts: accuracy, latency and system size scalability. The reward for doing so is a new era of computational chemistry driven by high-throughput and mesoscale all-atom simulations.

The abundance of data has given machine learning considerable momentum in natural sciences and engineering, though modeling of physical processes is often difficult. A particularly tough problem is the efficient representation of geometric boundaries. Triangularized geometric boundaries are well understood and ubiquitous in engineering applications. However, it is notoriously difficult to integrate them into machine learning approaches due to their heterogeneity with respect to size and orientation. In this work, we introduce an effective theory to model particle-boundary interactions, which leads to our new Boundary Graph Neural Networks (BGNNs) that dynamically modify graph structures to obey boundary conditions. The new BGNNs are tested on complex 3D granular flow processes of hoppers, rotating drums and mixers, which are all standard components of modern industrial machinery but still have complicated geometry. BGNNs are evaluated in terms of computational efficiency as well as prediction accuracy of particle flows and mixing entropies. BGNNs are able to accurately reproduce 3D granular flows within simulation uncertainties over hundreds of thousands of simulation timesteps. Most notably, in our experiments, particles stay within the geometric objects without using handcrafted conditions or restrictions.

Self-Supervised Learning (SSL) is at the core of training modern large machine learning models, providing a scheme for learning powerful representations that can be used in a variety of downstream tasks. However, SSL strategies must be adapted to the type of training data and downstream tasks required. We propose RS3L ("Re-simulation-based self-supervised representation learning"), a novel simulation-based SSL strategy that employs a method of re-simulation to drive data augmentation for contrastive learning in the physical sciences, particularly, in fields that rely on stochastic simulators. By intervening in the middle of the simulation process and re-running simulation components downstream of the intervention, we generate multiple realizations of an event, thus producing a set of augmentations covering all physics-driven variations available in the simulator. Using experiments from high-energy physics, we explore how this strategy may enable the development of a foundation model; we show how RS3L pre-training enables powerful performance in downstream tasks such as discrimination of a variety of objects and uncertainty mitigation. In addition to our results, we make the RS3L dataset publicly available for further studies on how to improve SSL strategies.

Understanding human behavior and society is a central focus in social sciences, with the rise of generative social science marking a significant paradigmatic shift. By leveraging bottom-up simulations, it replaces costly and logistically challenging traditional experiments with scalable, replicable, and systematic computational approaches for studying complex social dynamics. Recent advances in large language models (LLMs) have further transformed this research paradigm, enabling the creation of human-like generative social agents and realistic simulacra of society. In this paper, we propose AgentSociety, a large-scale social simulator that integrates LLM-driven agents, a realistic societal environment, and a powerful large-scale simulation engine. Based on the proposed simulator, we generate social lives for over 10k agents, simulating their 5 million interactions both among agents and between agents and their environment. Furthermore, we explore the potential of AgentSociety as a testbed for computational social experiments, focusing on four key social issues: polarization, the spread of inflammatory messages, the effects of universal basic income policies, and the impact of external shocks such as hurricanes. These four issues serve as valuable cases for assessing AgentSociety's support for typical research methods -- such as surveys, interviews, and interventions -- as well as for investigating the patterns, causes, and underlying mechanisms of social issues. The alignment between AgentSociety's outcomes and real-world experimental results not only demonstrates its ability to capture human behaviors and their underlying mechanisms, but also underscores its potential as an important platform for social scientists and policymakers.