Daily Papers

Efficiently compiling quantum operations remains a major bottleneck in scaling quantum computing. Today's state-of-the-art methods achieve low compilation error by combining search algorithms with gradient-based parameter optimization, but they incur long runtimes and require multiple calls to quantum hardware or expensive classical simulations, making their scaling prohibitive. Recently, machine-learning models have emerged as an alternative, though they are currently restricted to discrete gate sets. Here, we introduce a multimodal denoising diffusion model that simultaneously generates a circuit's structure and its continuous parameters for compiling a target unitary. It leverages two independent diffusion processes, one for discrete gate selection and one for parameter prediction. We benchmark the model over different experiments, analyzing the method's accuracy across varying qubit counts, circuit depths, and proportions of parameterized gates. Finally, by exploiting its rapid circuit generation, we create large datasets of circuits for particular operations and use these to extract valuable heuristics that can help us discover new insights into quantum circuit synthesis.

In mechanical structures like airplanes, cars and houses, noise is generated and transmitted through vibrations. To take measures to reduce this noise, vibrations need to be simulated with expensive numerical computations. Deep learning surrogate models present a promising alternative to classical numerical simulations as they can be evaluated magnitudes faster, while trading-off accuracy. To quantify such trade-offs systematically and foster the development of methods, we present a benchmark on the task of predicting the vibration of harmonically excited plates. The benchmark features a total of 12,000 plate geometries with varying forms of beadings, material, boundary conditions, load position and sizes with associated numerical solutions. To address the benchmark task, we propose a new network architecture, named Frequency-Query Operator, which predicts vibration patterns of plate geometries given a specific excitation frequency. Applying principles from operator learning and implicit models for shape encoding, our approach effectively addresses the prediction of highly variable frequency response functions occurring in dynamic systems. To quantify the prediction quality, we introduce a set of evaluation metrics and evaluate the method on our vibrating-plates benchmark. Our method outperforms DeepONets, Fourier Neural Operators and more traditional neural network architectures and can be used for design optimization. Code, dataset and visualizations: https://github.com/ecker-lab/Learning_Vibrating_Plates

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

T Coronae Borealis (TCrB) is a recurrent nova (RN) with recorded outbursts in 1866, and 1946 and possible outbursts in 1217 and 1787. It is predicted to explode again in 2025 or 2026 based on multiple observational studies. The system consists of a massive (M_{wd} gtrsim 1.35 M_odot) white dwarf (WD) and a red giant (M3-M4 III). We have performed 1-D hydrodynamic simulations with NOVA to predict the behavior of the next outburst. These simulations consist of a range of mass accretion rates onto sim1.35 M_odot WDs, designed to bound the conditions necessary to achieve ignition of an explosion after an approx80 year inter-outburst period. We have used both carbon-oxygen and oxygen-neon initial compositions, in order to include the possible ejecta abundances to be measured in the observations of the next outburst. As the WD in the TCrB system is observed to be massive, theoretical predictions reported here imply that the WD is growing in mass as a consequence of the TNR. Therefore, the secular evolution of the WD may allow it to approach the Chandrasekhar limit and either explode as a Type Ia supernova or undergo accretion induced collapse, depending on its underlying composition. We have followed the evolution of just the WD, after removing the ejected matter from the surface layers. Our intent is to illuminate the mystery of the unique, second, maximum in the two well observed outbursts and we have found conditions that bracket the predictions.

Chemical potential of species in solution is essential for understanding various chemical processes at interfaces. Molecular dynamics (MD) simulations, constrained by fixed compositions, cannot satisfy a constant chemical potential condition as solute species can migrate to the interface and deplete the bulk due to solute-interface interactions. In this study, we introduce a simple and computationally efficient approach named iterative constant chemical potential molecular dynamics (iCuMD) simulation, which helps simulate targeted molar concentrations of species in solution. iCuMD overcomes the limitations of conventional MD by adjusting the number of species in the solution to reach a target concentration (chemical potential). We demonstrate our approach using solid-liquid and liquid-air interfacial systems as case studies. Specifically, we perform classical force field-based MD simulations of NaCl(aq)-air and NaCl(aq)-graphite interfaces and machine learning interatomic potential (MLIP)-based MD simulations of the Na2SO4(aq)-graphene interface. Our results show that the iCuMD approach efficiently achieves the desired bulk ion concentration within two iterations and can also be integrated with MLIP-driven simulations which enable constant potential simulations with DFT-level accuracy. We show that iCuMD offers a robust and simple computational framework for constant chemical potential simulations as its only requirement is to be able to converge interfacial simulations with a measurable bulk region.

In an industrial group like Safran, numerical simulations of physical phenomena are integral to most design processes. At Safran's corporate research center, we enhance these processes by developing fast and reliable surrogate models for various physics. We focus here on two technologies developed in recent years. The first is a physical reduced-order modeling method for non-linear structural mechanics and thermal analysis, used for calculating the lifespan of high-pressure turbine blades and performing heat analysis of high-pressure compressors. The second technology involves learning physics simulations with non-parameterized geometrical variability using classical machine learning tools, such as Gaussian process regression. Finally, we present our contributions to the open-source and open-data community.

Partial Differential Equations are foundational in modeling science and natural systems such as fluid dynamics and weather forecasting. The Latent Evolution of PDEs method is designed to address the computational intensity of classical and deep learning-based PDE solvers by proposing a scalable and efficient alternative. To enhance the efficiency and accuracy of LE-PDE, we incorporate the Mamba model, an advanced machine learning model known for its predictive efficiency and robustness in handling complex dynamic systems with a progressive learning strategy. The LE-PDE was tested on several benchmark problems. The method demonstrated a marked reduction in computational time compared to traditional solvers and standalone deep learning models while maintaining high accuracy in predicting system behavior over time. Our method doubles the inference speed compared to the LE-PDE while retaining the same level of parameter efficiency, making it well-suited for scenarios requiring long-term predictions.

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 investigate the stability of superconducting strings as bound states of strings and fermion zero modes at both the classical and quantum levels. The dynamics of these superconducting strings can result in a stable configuration, known as a vorton. We mainly focus on global strings, but the majority of the discussion can be applied to local strings. Using lattice simulations, we study the classical dynamics of superconducting strings and confirm that they relax to the vorton configuration through Nambu-Goldstone boson radiation, with no evidence of over-shooting that would destabilize the vorton. We explore the tunneling of fermion zero modes out of the strings. Both our classical analysis and quantum calculations yield consistent results: the maximum energy of the zero mode significantly exceeds the fermion mass, in contrast to previous literature. Additionally, we introduce a world-sheet formalism to evaluate the decay rate of zero modes into other particles, which constitute the dominant decay channel. We also identify additional processes that trigger zero-mode decay due to non-adiabatic changes of the string configuration. In these decay processes, the rates are suppressed by the curvature of string loops, with exponential suppression for large masses of the final states. We further study the scattering with light charged particles surrounding the string core produced by the zero-mode current and find that a wide zero-mode wavefunction can enhance vorton stability.

Classical force fields (FF) based on machine learning (ML) methods show great potential for large scale simulations of materials. MLFFs have hitherto largely been designed and fitted for specific systems and are not usually transferable to chemistries beyond the specific training set. We develop a unified atomisitic line graph neural network-based FF (ALIGNN-FF) that can model both structurally and chemically diverse materials with any combination of 89 elements from the periodic table. To train the ALIGNN-FF model, we use the JARVIS-DFT dataset which contains around 75000 materials and 4 million energy-force entries, out of which 307113 are used in the training. We demonstrate the applicability of this method for fast optimization of atomic structures in the crystallography open database and by predicting accurate crystal structures using genetic algorithm for alloys.

Common moment-based radiative transfer methods, such as flux-limited diffusion (FLD) and the M1 closure, suffer from artificial interactions between crossing beams. In protoplanetary disks, this leads to an overestimation of the midplane temperature due to the merging of inward and outward vertical fluxes. Methods that avoid these artifacts typically require angular discretization, which can be computationally expensive. In the spirit of the two-stream approximation, we introduced a half-moment (HM) closure that integrates the radiative intensity over hemispheres, thereby suppressing beam interactions along a fixed spatial direction. We derived a multidimensional HM closure via entropy maximization and replaced this closure with an approximate expression that closely matches it, coinciding with it in the diffusion and free-streaming regimes while remaining expressible through simple operations. We implemented HM and M1 closures via implicit-explicit schemes, including multiple frequency groups. We tested these methods in numerical benchmarks such as computing the temperature in an irradiated disk around a T Tauri star, comparing our results with Monte Carlo (MC) radiative transfer simulations. The HM closure correctly reproduces the diffusion limit and prevents crossing flux interactions in a chosen spatial direction. In disk simulations, our multigroup HM method closely matches midplane temperature distributions obtained with classical MC methods. While the M1 closure produces midplane temperatures 44% higher than MC with one frequency group and 21% higher with 22 groups, HM reduces this discrepancy to 6% with 22 groups. Even with just three groups, HM significantly outperforms M1, with maximum departures of 8% compared to M1's 23%. Our results show that combining HM with a multigroup treatment yields more realistic disk temperatures than M1, particularly in optically thick regions.

Quantum processors may enhance machine learning by mapping high-dimensional data onto quantum systems for processing. Conventional feature maps, for encoding data onto a quantum circuit are currently impractical, as the number of entangling gates scales quadratically with the dimension of the dataset and the number of qubits. In this work, we introduce a quantum feature map designed to handle high-dimensional data with a significantly reduced number of qubits and entangling operations. Our approach preserves essential data characteristics while promoting computational efficiency, as evidenced by extensive experiments on benchmark datasets that demonstrate a marked improvement in both accuracy and resource utilization when using our feature map as a kernel for characterization, as compared to state-of-the-art quantum feature maps. Our noisy simulation results, combined with lower resource requirements, highlight our map's ability to function within the constraints of noisy intermediate-scale quantum devices. Through numerical simulations and small-scale implementation on a superconducting circuit quantum computing platform, we demonstrate that our scheme performs on par or better than a set of classical algorithms for classification. While quantum kernels are typically stymied by exponential concentration, our approach is affected with a slower rate with respect to both the number of qubits and features, which allows practical applications to remain within reach. Our findings herald a promising avenue for the practical implementation of quantum machine learning algorithms on near future quantum computing platforms.

The simulation of large-scale systems with complex electron interactions remains one of the greatest challenges for the atomistic modeling of materials. Although classical force fields often fail to describe the coupling between electronic states and ionic rearrangements, the more accurate ab-initio molecular dynamics suffers from computational complexity that prevents long-time and large-scale simulations, which are essential to study many technologically relevant phenomena, such as reactions, ion migrations, phase transformations, and degradation. In this work, we present the Crystal Hamiltonian Graph neural Network (CHGNet) as a novel machine-learning interatomic potential (MLIP), using a graph-neural-network-based force field to model a universal potential energy surface. CHGNet is pretrained on the energies, forces, stresses, and magnetic moments from the Materials Project Trajectory Dataset, which consists of over 10 years of density functional theory static and relaxation trajectories of sim 1.5 million inorganic structures. The explicit inclusion of magnetic moments enables CHGNet to learn and accurately represent the orbital occupancy of electrons, enhancing its capability to describe both atomic and electronic degrees of freedom. We demonstrate several applications of CHGNet in solid-state materials, including charge-informed molecular dynamics in Li_xMnO_2, the finite temperature phase diagram for Li_xFePO_4 and Li diffusion in garnet conductors. We critically analyze the significance of including charge information for capturing appropriate chemistry, and we provide new insights into ionic systems with additional electronic degrees of freedom that can not be observed by previous MLIPs.

Classical estimators for ARIMA parameters (MLE, CSS, OLS) assume Gaussian innovations, an assumption frequently violated in financial and economic data exhibiting asymmetric distributions with heavy tails. We develop and validate the second-order polynomial maximization method (PMM2) for estimating ARIMA(p,d,q) models with non-Gaussian innovations. PMM2 is a semiparametric technique that exploits higher-order moments and cumulants without requiring full distributional specification. Monte Carlo experiments (128,000 simulations) across sample sizes N in {100, 200, 500, 1000} and four innovation distributions demonstrate that PMM2 substantially outperforms classical methods for asymmetric innovations. For ARIMA(1,1,0) with N=500, relative efficiency reaches 1.58--1.90 for Gamma, lognormal, and χ^2(3) innovations (37--47\% variance reduction). Under Gaussian innovations PMM2 matches OLS efficiency, avoiding the precision loss typical of robust estimators. The method delivers major gains for moderate asymmetry (|γ_3| geq 0.5) and N geq 200, with computational costs comparable to MLE. PMM2 provides an effective alternative for time series with asymmetric innovations typical of financial markets, macroeconomic indicators, and industrial measurements. Future extensions include seasonal SARIMA models, GARCH integration, and automatic order selection.

Graph neural network (GNN) potentials such as SchNet improve the accuracy and transferability of molecular dynamics (MD) simulation by learning many-body interactions, but remain slower than classical force fields due to fragmented kernels and memory-bound pipelines that underutilize GPUs. We show that a missing principle is making GNN-MD IO-aware, carefully accounting for reads and writes between GPU high-bandwidth memory (HBM) and on-chip SRAM. We present FlashSchNet, an efficient and accurate IO-aware SchNet-style GNN-MD framework built on four techniques: (1) flash radial basis, which fuses pairwise distance computation, Gaussian basis expansion, and cosine envelope into a single tiled pass, computing each distance once and reusing it across all basis functions; (2) flash message passing, which fuses cutoff, neighbor gather, filter multiplication, and reduction to avoid materializing edge tensors in HBM; (3) flash aggregation, which reformulates scatter-add via CSR segment reduce, reducing atomic writes by a factor of feature dimension and enabling contention-free accumulation in both forward and backward passes; (4) channel-wise 16-bit quantization that exploits the low per-channel dynamic range in SchNet MLP weights to further improve throughput with negligible accuracy loss. On a single NVIDIA RTX PRO 6000, FlashSchNet achieves 1000 ns/day aggregate simulation throughput over 64 parallel replicas on coarse-grained (CG) protein containing 269 beads (6.5x faster than CGSchNet baseline with 80% reduction of peak memory), surpassing classical force fields (e.g. MARTINI) while retaining SchNet-level accuracy and transferability.

Neural network (NN) potentials promise highly accurate molecular dynamics (MD) simulations within the computational complexity of classical MD force fields. However, when applied outside their training domain, NN potential predictions can be inaccurate, increasing the need for Uncertainty Quantification (UQ). Bayesian modeling provides the mathematical framework for UQ, but classical Bayesian methods based on Markov chain Monte Carlo (MCMC) are computationally intractable for NN potentials. By training graph NN potentials for coarse-grained systems of liquid water and alanine dipeptide, we demonstrate here that scalable Bayesian UQ via stochastic gradient MCMC (SG-MCMC) yields reliable uncertainty estimates for MD observables. We show that cold posteriors can reduce the required training data size and that for reliable UQ, multiple Markov chains are needed. Additionally, we find that SG-MCMC and the Deep Ensemble method achieve comparable results, despite shorter training and less hyperparameter tuning of the latter. We show that both methods can capture aleatoric and epistemic uncertainty reliably, but not systematic uncertainty, which needs to be minimized by adequate modeling to obtain accurate credible intervals for MD observables. Our results represent a step towards accurate UQ that is of vital importance for trustworthy NN potential-based MD simulations required for decision-making in practice.

Simulating atomic-scale processes, such as protein dynamics and catalytic reactions, is crucial for advancements in biology, chemistry, and materials science. Machine learning force fields (MLFFs) have emerged as powerful tools that achieve near quantum mechanical accuracy, with promising generalization capabilities. However, their practical use is often limited by long inference times compared to classical force fields, especially when running extensive molecular dynamics (MD) simulations required for many biological applications. In this study, we introduce BoostMD, a surrogate model architecture designed to accelerate MD simulations. BoostMD leverages node features computed at previous time steps to predict energies and forces based on positional changes. This approach reduces the complexity of the learning task, allowing BoostMD to be both smaller and significantly faster than conventional MLFFs. During simulations, the computationally intensive reference MLFF is evaluated only every N steps, while the lightweight BoostMD model handles the intermediate steps at a fraction of the computational cost. Our experiments demonstrate that BoostMD achieves an eight-fold speedup compared to the reference model and generalizes to unseen dipeptides. Furthermore, we find that BoostMD accurately samples the ground-truth Boltzmann distribution when running molecular dynamics. By combining efficient feature reuse with a streamlined architecture, BoostMD offers a robust solution for conducting large-scale, long-timescale molecular simulations, making high-accuracy ML-driven modeling more accessible and practical.

Variational quantum circuits (VQCs) built upon noisy intermediate-scale quantum (NISQ) hardware, in conjunction with classical processing, constitute a promising architecture for quantum simulations, classical optimization, and machine learning. However, the required VQC depth to demonstrate a quantum advantage over classical schemes is beyond the reach of available NISQ devices. Supervised learning assisted by an entangled sensor network (SLAEN) is a distinct paradigm that harnesses VQCs trained by classical machine-learning algorithms to tailor multipartite entanglement shared by sensors for solving practically useful data-processing problems. Here, we report the first experimental demonstration of SLAEN and show an entanglement-enabled reduction in the error probability for classification of multidimensional radio-frequency signals. Our work paves a new route for quantum-enhanced data processing and its applications in the NISQ era.

This paper introduces CoBRA, a novel toolkit for systematically specifying agent behavior in LLM-based social simulation. We found that conventional approaches that specify agent behavior through implicit natural-language descriptions often do not yield consistent behavior across models, and the resulting behavior does not capture the nuances of the descriptions. In contrast, CoBRA introduces a model-agnostic way to control agent behavior that lets researchers explicitly specify desired nuances and obtain consistent behavior across models. At the heart of CoBRA is a novel closed-loop system primitive with two components: (1) Cognitive Bias Index that measures the demonstrated cognitive bias of a social agent, by quantifying the agent's reactions in a set of validated classic social science experiments; (2) Behavioral Regulation Engine that aligns the agent's behavior to exhibit controlled cognitive bias. Through CoBRA, we show how to operationalize validated social science knowledge (i.e., classical experiments) as reusable "gym" environments for AI -- an approach that may generalize to richer social and affective simulations beyond bias alone.

In recent years, there has been tremendous progress in the development of quantum computing hardware, algorithms and services leading to the expectation that in the near future quantum computers will be capable of performing simulations for natural science applications, operations research, and machine learning at scales mostly inaccessible to classical computers. Whereas the impact of quantum computing has already started to be recognized in fields such as cryptanalysis, natural science simulations, and optimization among others, very little is known about the full potential of quantum computing simulations and machine learning in the realm of healthcare and life science (HCLS). Herein, we discuss the transformational changes we expect from the use of quantum computation for HCLS research, more specifically in the field of cell-centric therapeutics. Moreover, we identify and elaborate open problems in cell engineering, tissue modeling, perturbation modeling, and bio-topology while discussing candidate quantum algorithms for research on these topics and their potential advantages over classical computational approaches.

Simulation-based optimization is a widely used method to solve stochastic optimization problems. This method aims to identify an optimal solution by maximizing the expected value of the objective function. However, due to its computational complexity, the function cannot be accurately evaluated directly, hence it is estimated through simulation. Exploiting the enhanced efficiency of Quantum Amplitude Estimation (QAE) compared to classical Monte Carlo simulation, it frequently outpaces classical simulation-based optimization, resulting in notable performance enhancements in various scenarios. In this work, we make use of a quantum-enhanced algorithm for simulation-based optimization and apply it to solve a variant of the classical Newsvendor problem which is known to be NP-hard. Such problems provide the building block for supply chain management, particularly in inventory management and procurement optimization under risks and uncertainty

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.

We introduce a quantum neural network, QNN, that can represent labeled data, classical or quantum, and be trained by supervised learning. The quantum circuit consists of a sequence of parameter dependent unitary transformations which acts on an input quantum state. For binary classification a single Pauli operator is measured on a designated readout qubit. The measured output is the quantum neural network's predictor of the binary label of the input state. First we look at classifying classical data sets which consist of n-bit strings with binary labels. The input quantum state is an n-bit computational basis state corresponding to a sample string. We show how to design a circuit made from two qubit unitaries that can correctly represent the label of any Boolean function of n bits. For certain label functions the circuit is exponentially long. We introduce parameter dependent unitaries that can be adapted by supervised learning of labeled data. We study an example of real world data consisting of downsampled images of handwritten digits each of which has been labeled as one of two distinct digits. We show through classical simulation that parameters can be found that allow the QNN to learn to correctly distinguish the two data sets. We then discuss presenting the data as quantum superpositions of computational basis states corresponding to different label values. Here we show through simulation that learning is possible. We consider using our QNN to learn the label of a general quantum state. By example we show that this can be done. Our work is exploratory and relies on the classical simulation of small quantum systems. The QNN proposed here was designed with near-term quantum processors in mind. Therefore it will be possible to run this QNN on a near term gate model quantum computer where its power can be explored beyond what can be explored with simulation.

Quantum computing has recently emerged as a transformative technology. Yet, its promised advantages rely on efficiently translating quantum operations into viable physical realizations. In this work, we use generative machine learning models, specifically denoising diffusion models (DMs), to facilitate this transformation. Leveraging text-conditioning, we steer the model to produce desired quantum operations within gate-based quantum circuits. Notably, DMs allow to sidestep during training the exponential overhead inherent in the classical simulation of quantum dynamics -- a consistent bottleneck in preceding ML techniques. We demonstrate the model's capabilities across two tasks: entanglement generation and unitary compilation. The model excels at generating new circuits and supports typical DM extensions such as masking and editing to, for instance, align the circuit generation to the constraints of the targeted quantum device. Given their flexibility and generalization abilities, we envision DMs as pivotal in quantum circuit synthesis, enhancing both practical applications but also insights into theoretical quantum computation.

QDNA-ID is a trust-chain framework that links physical quantum behavior to digitally verified records. The system first executes standard quantum circuits with random shot patterns across different devices to generate entropy profiles and measurement data that reveal device-specific behavior. A Bell or CHSH test is then used to confirm that correlations originate from genuine non classical processes rather than classical simulation. The verified outcomes are converted into statistical fingerprints using entropy, divergence, and bias features to characterize each device. These features and metadata for device, session, and random seed parameters are digitally signed and time stamped to ensure integrity and traceability. Authenticated artifacts are stored in a hierarchical index for reproducible retrieval and long term auditing. A visualization and analytics interface monitors drift, policy enforcement, and device behavior logs. A machine learning engine tracks entropy drift, detects anomalies, and classifies devices based on evolving patterns. An external verification API supports independent recomputation of hashes, signatures, and CHSH evidence. QDNA-ID operates as a continuous feedback loop that maintains a persistent chain of trust for quantum computing environments.

Progress in the realisation of reliable large-scale quantum computers has motivated research into the design of quantum machine learning models. We present Quixer: a novel quantum transformer model which utilises the Linear Combination of Unitaries and Quantum Singular Value Transform primitives as building blocks. Quixer operates by preparing a superposition of tokens and applying a trainable non-linear transformation to this mix. We present the first results for a quantum transformer model applied to a practical language modelling task, obtaining results competitive with an equivalent classical baseline. In addition, we include resource estimates for evaluating the model on quantum hardware, and provide an open-source implementation for classical simulation. We conclude by highlighting the generality of Quixer, showing that its parameterised components can be substituted with fixed structures to yield new classes of quantum transformers.

Deep learning foundation models are revolutionizing many facets of science by leveraging vast amounts of data to learn general-purpose representations that can be adapted to tackle diverse downstream tasks. Foundation models hold the promise to also transform our ability to model our planet and its subsystems by exploiting the vast expanse of Earth system data. Here we introduce Aurora, a large-scale foundation model of the atmosphere trained on over a million hours of diverse weather and climate data. Aurora leverages the strengths of the foundation modelling approach to produce operational forecasts for a wide variety of atmospheric prediction problems, including those with limited training data, heterogeneous variables, and extreme events. In under a minute, Aurora produces 5-day global air pollution predictions and 10-day high-resolution weather forecasts that outperform state-of-the-art classical simulation tools and the best specialized deep learning models. Taken together, these results indicate that foundation models can transform environmental forecasting.

A key aspect of learned partial differential equation (PDE) solvers is that the main cost often comes from generating training data with classical solvers rather than learning the model itself. Another is that there are clear axes of difficulty--e.g., more complex geometries and higher Reynolds numbers--along which problems become (1) harder for classical solvers and thus (2) more likely to benefit from neural speedups. Towards addressing this chicken-and-egg challenge, we study difficulty transfer on 2D incompressible Navier-Stokes, systematically varying task complexity along geometry (number and placement of obstacles), physics (Reynolds number), and their combination. Similar to how it is possible to spend compute to pre-train foundation models and improve their performance on downstream tasks, we find that by classically solving (analogously pre-generating) many low and medium difficulty examples and including them in the training set, it is possible to learn high-difficulty physics from far fewer samples. Furthermore, we show that by combining low and high difficulty data, we can spend 8.9x less compute on pre-generating a dataset to achieve the same error as using only high difficulty examples. Our results highlight that how we allocate classical-solver compute across difficulty levels is as important as how much we allocate overall, and suggest substantial gains from principled curation of pre-generated PDE data for neural solvers. Our code is available at https://github.com/Naman-Choudhary-AI-ML/pregenerating-pde

Generative models have demonstrated remarkable success in domains such as text, image, and video synthesis. In this work, we explore the application of generative models to fluid dynamics, specifically for turbulence simulation, where classical numerical solvers are computationally expensive. We propose a novel stochastic generative model based on stochastic interpolants, which enables probabilistic forecasting while incorporating physical constraints such as energy stability and divergence-freeness. Unlike conventional stochastic generative models, which are often agnostic to underlying physical laws, our approach embeds energy consistency by making the parameters of the stochastic interpolant learnable coefficients. We evaluate our method on a benchmark turbulence problem - Kolmogorov flow - demonstrating superior accuracy and stability over state-of-the-art alternatives such as autoregressive conditional diffusion models (ACDMs) and PDE-Refiner. Furthermore, we achieve stable results for significantly longer roll-outs than standard stochastic interpolants. Our results highlight the potential of physics-aware generative models in accelerating and enhancing turbulence simulations while preserving fundamental conservation properties.

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.

Implicit Neural Spatial Representation (INSR) has emerged as an effective representation of spatially-dependent vector fields. This work explores solving time-dependent PDEs with INSR. Classical PDE solvers introduce both temporal and spatial discretizations. Common spatial discretizations include meshes and meshless point clouds, where each degree-of-freedom corresponds to a location in space. While these explicit spatial correspondences are intuitive to model and understand, these representations are not necessarily optimal for accuracy, memory usage, or adaptivity. Keeping the classical temporal discretization unchanged (e.g., explicit/implicit Euler), we explore INSR as an alternative spatial discretization, where spatial information is implicitly stored in the neural network weights. The network weights then evolve over time via time integration. Our approach does not require any training data generated by existing solvers because our approach is the solver itself. We validate our approach on various PDEs with examples involving large elastic deformations, turbulent fluids, and multi-scale phenomena. While slower to compute than traditional representations, our approach exhibits higher accuracy and lower memory consumption. Whereas classical solvers can dynamically adapt their spatial representation only by resorting to complex remeshing algorithms, our INSR approach is intrinsically adaptive. By tapping into the rich literature of classic time integrators, e.g., operator-splitting schemes, our method enables challenging simulations in contact mechanics and turbulent flows where previous neural-physics approaches struggle. Videos and codes are available on the project page: http://www.cs.columbia.edu/cg/INSR-PDE/

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

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.

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.

Recent advances in 3D X-ray Computed Tomographic (CT) sensors have stimulated research efforts to unveil the extremely complex micro-scale processes that control the activity of soil microorganisms. Voxel-based description (up to hundreds millions voxels) of the pore space can be extracted, from grey level 3D CT scanner images, by means of simple image processing tools. Classical methods for numerical simulation of biological dynamics using mesh of voxels, such as Lattice Boltzmann Model (LBM), are too much time consuming. Thus, the use of more compact and reliable geometrical representations of pore space can drastically decrease the computational cost of the simulations. Several recent works propose basic analytic volume primitives (e.g. spheres, generalized cylinders, ellipsoids) to define a piece-wise approximation of pore space for numerical simulation of draining, diffusion and microbial decomposition. Such approaches work well but the drawback is that it generates approximation errors. In the present work, we study another alternative where pore space is described by means of geometrically relevant connected subsets of voxels (regions) computed from the curvilinear skeleton. Indeed, many works use the curvilinear skeleton (3D medial axis) for analyzing and partitioning 3D shapes within various domains (medicine, material sciences, petroleum engineering, etc.) but only a few ones in soil sciences. Within the context of soil sciences, most studies dealing with 3D medial axis focus on the determination of pore throats. Here, we segment pore space using curvilinear skeleton in order to achieve numerical simulation of microbial decomposition (including diffusion processes). We validate simulation outputs by comparison with other methods using different pore space geometrical representations (balls, voxels).

Quantum Support Vector Machines face scalability challenges due to high-dimensional quantum states and hardware limitations. We propose an embedding-aware quantum-classical pipeline combining class-balanced k-means distillation with pretrained Vision Transformer embeddings. Our key finding: ViT embeddings uniquely enable quantum advantage, achieving up to 8.02% accuracy improvements over classical SVMs on Fashion-MNIST and 4.42% on MNIST, while CNN features show performance degradation. Using 16-qubit tensor network simulation via cuTensorNet, we provide the first systematic evidence that quantum kernel advantage depends critically on embedding choice, revealing fundamental synergy between transformer attention and quantum feature spaces. This provides a practical pathway for scalable quantum machine learning that leverages modern neural architectures.

In molecular research, simulation \& design of molecules are key areas with significant implications for drug development, material science, and other fields. Current classical computational power falls inadequate to simulate any more than small molecules, let alone protein chains on hundreds of peptide. Therefore these experiment are done physically in wet-lab, but it takes a lot of time \& not possible to examine every molecule due to the size of the search area, tens of billions of dollars are spent every year in these research experiments. Molecule simulation \& design has lately advanced significantly by machine learning models, A fresh perspective on the issue of chemical synthesis is provided by deep generative models for graph-structured data. By optimising differentiable models that produce molecular graphs directly, it is feasible to avoid costly search techniques in the discrete and huge space of chemical structures. But these models also suffer from computational limitations when dimensions become huge and consume huge amount of resources. Quantum Generative machine learning in recent years have shown some empirical results promising significant advantages over classical counterparts.

The Korteweg-de Vries (KdV) equation serves as a foundational model in nonlinear wave physics, describing the balance between dispersive spreading and nonlinear steepening that gives rise to solitons. This article introduces sangkuriang, an open-source Python library for solving this equation using Fourier pseudo-spectral spatial discretization coupled with adaptive high-order time integration. The implementation leverages just-in-time (JIT) compilation for computational efficiency while maintaining accessibility for instructional purposes. Validation encompasses progressively complex scenarios including isolated soliton propagation, symmetric two-wave configurations, overtaking collisions between waves of differing amplitudes, and three-body interactions. Conservation of the classical invariants is monitored throughout, with deviations remaining small across all test cases. Measured soliton velocities conform closely to theoretical predictions based on the amplitude-velocity relationship characteristic of integrable systems. Complementary diagnostics drawn from information theory and recurrence analysis confirm that computed solutions preserve the regular phase-space structure expected for completely integrable dynamics. The solver outputs data in standard scientific formats compatible with common analysis tools and generates visualizations of spatiotemporal wave evolution. By combining numerical accuracy with practical accessibility on modest computational resources, sangkuriang offers a platform suitable for both classroom demonstrations of nonlinear wave phenomena and exploratory research into soliton dynamics.

Polymers are a versatile class of materials with widespread industrial applications. Advanced computational tools could revolutionize their design, but their complex, multi-scale nature poses significant modeling challenges. Conventional force fields often lack the accuracy and transferability required to capture the intricate interactions governing polymer behavior. Conversely, quantum-chemical methods are computationally prohibitive for the large systems and long timescales required to simulate relevant polymer phenomena. Here, we overcome these limitations with a machine learning force field (MLFF) approach. We demonstrate that macroscopic properties for a broad range of polymers can be predicted ab initio, without fitting to experimental data. Specifically, we develop a fast and scalable MLFF to accurately predict polymer densities, outperforming established classical force fields. Our MLFF also captures second-order phase transitions, enabling the prediction of glass transition temperatures. To accelerate progress in this domain, we introduce a benchmark of experimental bulk properties for 130 polymers and an accompanying quantum-chemical dataset. This work lays the foundation for a fully in silico design pipeline for next-generation polymeric materials.

In recent years, diffusion models trained on equilibrium molecular distributions have proven effective for sampling biomolecules. Beyond direct sampling, the score of such a model can also be used to derive the forces that act on molecular systems. However, while classical diffusion sampling usually recovers the training distribution, the corresponding energy-based interpretation of the learned score is often inconsistent with this distribution, even for low-dimensional toy systems. We trace this inconsistency to inaccuracies of the learned score at very small diffusion timesteps, where the model must capture the correct evolution of the data distribution. In this regime, diffusion models fail to satisfy the Fokker--Planck equation, which governs the evolution of the score. We interpret this deviation as one source of the observed inconsistencies and propose an energy-based diffusion model with a Fokker--Planck-derived regularization term to enforce consistency. We demonstrate our approach by sampling and simulating multiple biomolecular systems, including fast-folding proteins, and by introducing a state-of-the-art transferable Boltzmann emulator for dipeptides that supports simulation and achieves improved consistency and efficient sampling. Our code, model weights, and self-contained JAX and PyTorch notebooks are available at https://github.com/noegroup/ScoreMD.

Despite the availability of international prize-money competitions, scaled vehicles, and simulation environments, research on autonomous racing and the control of sports cars operating close to the limit of handling has been limited by the high costs of vehicle acquisition and management, as well as the limited physics accuracy of open-source simulators. In this paper, we propose a racing simulation platform based on the simulator Assetto Corsa to test, validate, and benchmark autonomous driving algorithms, including reinforcement learning (RL) and classical Model Predictive Control (MPC), in realistic and challenging scenarios. Our contributions include the development of this simulation platform, several state-of-the-art algorithms tailored to the racing environment, and a comprehensive dataset collected from human drivers. Additionally, we evaluate algorithms in the offline RL setting. All the necessary code (including environment and benchmarks), working examples, datasets, and videos are publicly released and can be found at: https://assetto-corsa-gym.github.io.

Quantum computing offers new ways to explore the theory of computation via the laws of quantum mechanics. Due to the rising demand for quantum computing resources, there is growing interest in developing cloud-based quantum resource sharing platforms that enable researchers to test and execute their algorithms on real quantum hardware. These cloud-based systems face a fundamental challenge in efficiently allocating quantum hardware resources to fulfill the growing computational demand of modern Internet of Things (IoT) applications. So far, attempts have been made in order to make efficient resource allocation, ranging from heuristic-based solutions to machine learning. In this work, we employ quantum reinforcement learning based on parameterized quantum circuits to address the resource allocation problem to support large IoT networks. We propose a python-based toolkit called QAISim for the simulation and modeling of Quantum Artificial Intelligence (QAI) models for designing resource management policies in quantum cloud environments. We have simulated policy gradient and Deep Q-Learning algorithms for reinforcement learning. QAISim exhibits a substantial reduction in model complexity compared to its classical counterparts with fewer trainable variables.

The focus of this study is to evaluate the effectiveness of Machine Learning (ML) methods for two-sample testing with right-censored observations. To achieve this, we develop several ML-based methods with varying architectures and implement them as two-sample tests. Each method is an ensemble (stacking) that combines predictions from classical two-sample tests. This paper presents the results of training the proposed ML methods, examines their statistical power compared to classical two-sample tests, analyzes the distribution of test statistics for the proposed methods when the null hypothesis is true, and evaluates the significance of the features incorporated into the proposed methods. All results from numerical experiments were obtained from a synthetic dataset generated using the Smirnov transform (Inverse Transform Sampling) and replicated multiple times through Monte Carlo simulation. To test the two-sample problem with right-censored observations, one can use the proposed two-sample methods. All necessary materials (source code, example scripts, dataset, and samples) are available on GitHub and Hugging Face.

Quantum Computing has been evolving in the last years. Although nowadays quantum algorithms performance has shown superior to their classical counterparts, quantum decoherence and additional auxiliary qubits needed for error tolerance routines have been huge barriers for quantum algorithms efficient use. These restrictions lead us to search for ways to minimize algorithms costs, i.e the number of quantum logical gates and the depth of the circuit. For this, quantum circuit synthesis and quantum circuit optimization techniques are explored. We studied the viability of using Projective Simulation, a reinforcement learning technique, to tackle the problem of quantum circuit synthesis for noise quantum computers with limited number of qubits. The agent had the task of creating quantum circuits up to 5 qubits to generate GHZ states in the IBM Tenerife (IBM QX4) quantum processor. Our simulations demonstrated that the agent had a good performance but its capacity for learning new circuits decreased as the number of qubits increased.

Quantum computing has gained a lot of attention recently, and scientists have seen potential applications in this field using quantum computing for Cryptography and Communication to Machine Learning and Healthcare. Protein folding has been one of the most interesting areas to study, and it is also one of the biggest problems of biochemistry. Each protein folds distinctively, and the difficulty of finding its stable shape rapidly increases with an increase in the number of amino acids in the chain. A moderate protein has about 100 amino acids, and the number of combinations one needs to verify to find the stable structure is enormous. At some point, the number of these combinations will be so vast that classical computers cannot even attempt to solve them. In this paper, we examine how this problem can be solved with the help of quantum computing using two different algorithms, Variational Quantum Eigensolver (VQE) and Quantum Approximate Optimization Algorithm (QAOA), using Qiskit Nature. We compare the results of different quantum hardware and simulators and check how error mitigation affects the performance. Further, we make comparisons with SoTA algorithms and evaluate the reliability of the method.

We study the prepare-and-measure scenario in which Alice transmits a quantum system to Bob, who then performs a quantum measurement. The quantum state of the system is unknown to Bob, and the measurement is unknown to Alice. It has recently been shown that shared randomness and two bits of classical communication are necessary and sufficient to simulate the transmission of a qubit. We show that the communication cost can be reduced to an average of 1.89 bits. We then study restricted sets of state preparations: First, for a restriction to real-valued qubit states, if the communication of a classical trit is sufficient, we show that the corresponding protocol must have a convoluted form. We then reduce the smallest qubit scenario requiring two bits of classical communication to only 6 state preparations and 5 measurements. For a qutrit, it is not known whether the communication cost is finite; we identify a scenario that requires at least 5 classical messages, already for the simulation of the real qutrit. Finally, we develop a method for restricted sets of states, that allows us to lower bound the classical communication cost based solely on the set of quantum states.

Collective motion in fish schools exemplifies emergent self-organization in active matter systems, yet computational tools for simulating and analyzing these dynamics remain fragmented across research groups. We present dewi-kadita, an open-source Python library implementing the three-dimensional Couzin zone-based model with comprehensive entropy diagnostics tailored for marine collective behavior research. The library introduces seven information-theoretic metrics -- school cohesion entropy, polarization entropy, depth stratification entropy, angular momentum entropy, nearest-neighbor entropy, velocity correlation entropy, and school shape entropy -- that characterize distinct organizational features inaccessible to classical order parameters. These metrics combine into an Oceanic Schooling Index (OSI) providing a single scalar measure of collective disorder. Validation across four canonical configurations (swarm, torus, dynamic parallel, highly parallel) confirms correct reproduction of known phase behaviors: the swarm maintains disorder with polarization P < 0.1 and OSI approx 0.71, while the highly parallel state achieves P = 0.998 with OSI = 0.24 and velocity correlation entropy vanishing to zero. The entropy framework successfully discriminates the torus and dynamic parallel configurations that exhibit comparable order parameter magnitudes through different organizational mechanisms. Numba just-in-time (JIT) compilation accelerates pairwise interaction calculations by 10--100times, enabling simulations of 150--250 agents over 1000--2000 time steps within five minutes on standard workstation hardware. NetCDF4 output ensures interoperability with oceanographic analysis tools. The library addresses the need for standardized, reproducible infrastructure in collective behavior modeling analogous to established molecular dynamics codes.

As quantum computing transitions from theoretical physics to engineering applications, there is a growing need for accessible simulation tools that bridge the gap between abstract linear algebra and practical implementation. While text-based frameworks (like Qiskit or Cirq) are standard, they often present a steep learning curve for students and engineers accustomed to graphical system design. This paper introduces QuVI (Quantum Virtual Instrument), an open-source quantum circuit toolkit developed natively within the NI LabVIEW environment. Moving beyond initial proof-of-concept models, QuVI establishes a robust framework that leverages LabVIEW's "dataflow" paradigm, in which wires represent data and nodes represent operations, to provide an intuitive, visual analog to standard quantum circuit notation while enabling the seamless integration of classical control structures like loops and conditionals. The toolkit's capabilities are demonstrated by constructing and visualizing fundamental quantum algorithms and verifying results against theoretical predictions. By translating "Block Diagrams" directly into quantum state evolutions ("Bloch Spheres"), QuVI offers educators and researchers a powerful platform for prototyping quantum logic without leaving the graphical engineering workspace.

Navigation and manipulation are core capabilities in Embodied AI, yet training agents with these capabilities in the real world faces high costs and time complexity. Therefore, sim-to-real transfer has emerged as a key approach, yet the sim-to-real gap persists. This survey examines how physics simulators address this gap by analyzing their properties overlooked in previous surveys. We also analyze their features for navigation and manipulation tasks, along with hardware requirements. Additionally, we offer a resource with benchmark datasets, metrics, simulation platforms, and cutting-edge methods-such as world models and geometric equivariance-to help researchers select suitable tools while accounting for hardware constraints.

We present TensorCircuit-NG, a next-generation quantum software platform designed to bridge the gap between quantum physics, artificial intelligence, and high-performance computing. Moving beyond the scope of traditional circuit simulators, TensorCircuit-NG establishes a unified, tensor-native programming paradigm where quantum circuits, tensor networks, and neural networks fuse into a single, end-to-end differentiable computational graph. Built upon industry-standard machine learning backends (JAX, TensorFlow, PyTorch), the framework introduces comprehensive capabilities for approximate circuit simulation, analog dynamics, fermion Gaussian states, qudit systems, and scalable noise modeling. To tackle the exponential complexity of deep quantum circuits, TensorCircuit-NG implements advanced distributed computing strategies, including automated data parallelism and model-parallel tensor network slicing. We validate these capabilities on GPU clusters, demonstrating a near-linear speedup in distributed variational quantum algorithms. TensorCircuit-NG enables flagship applications, including end-to-end QML for CIFAR-100 computer vision, efficient pipelines from quantum states to neural networks via classical shadows, and differentiable optimization of tensor network states for many-body physics.

Recent advances in reinforcement learning (RL) have shown much promise across a variety of applications. However, issues such as scalability, explainability, and Markovian assumptions limit its applicability in certain domains. We observe that many of these shortcomings emanate from the simulator as opposed to the RL training algorithms themselves. As such, we propose a semantic proxy for simulation based on a temporal extension to annotated logic. In comparison with two high-fidelity simulators, we show up to three orders of magnitude speed-up while preserving the quality of policy learned. In addition, we show the ability to model and leverage non-Markovian dynamics and instantaneous actions while providing an explainable trace describing the outcomes of the agent actions.

Recent advances in artificial intelligence have been driven by the presence of increasingly realistic and complex simulated environments. However, many of the existing environments provide either unrealistic visuals, inaccurate physics, low task complexity, restricted agent perspective, or a limited capacity for interaction among artificial agents. Furthermore, many platforms lack the ability to flexibly configure the simulation, making the simulated environment a black-box from the perspective of the learning system. In this work, we propose a novel taxonomy of existing simulation platforms and discuss the highest level class of general platforms which enable the development of learning environments that are rich in visual, physical, task, and social complexity. We argue that modern game engines are uniquely suited to act as general platforms and as a case study examine the Unity engine and open source Unity ML-Agents Toolkit. We then survey the research enabled by Unity and the Unity ML-Agents Toolkit, discussing the kinds of research a flexible, interactive and easily configurable general platform can facilitate.

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).

Real-world data collection for robotics is costly and resource-intensive, requiring skilled operators and expensive hardware. Simulations offer a scalable alternative but often fail to achieve sim-to-real generalization due to geometric and visual gaps. To address these challenges, we propose a 3D-photorealistic real-to-sim system, namely, RE^3SIM, addressing geometric and visual sim-to-real gaps. RE^3SIM employs advanced 3D reconstruction and neural rendering techniques to faithfully recreate real-world scenarios, enabling real-time rendering of simulated cross-view cameras within a physics-based simulator. By utilizing privileged information to collect expert demonstrations efficiently in simulation, and train robot policies with imitation learning, we validate the effectiveness of the real-to-sim-to-real pipeline across various manipulation task scenarios. Notably, with only simulated data, we can achieve zero-shot sim-to-real transfer with an average success rate exceeding 58%. To push the limit of real-to-sim, we further generate a large-scale simulation dataset, demonstrating how a robust policy can be built from simulation data that generalizes across various objects. Codes and demos are available at: http://xshenhan.github.io/Re3Sim/.

We present an open-source Python library for simulating two-dimensional incompressible Kelvin-Helmholtz instabilities in stratified shear flows. The solver employs a fractional-step projection method with spectral Poisson solution via Fast Sine Transform, achieving second-order spatial accuracy. Implementation leverages NumPy, SciPy, and Numba JIT compilation for efficient computation. Four canonical test cases explore Reynolds numbers 1000--5000 and Richardson numbers 0.1--0.3: classical shear layer, double shear configuration, rotating flow, and forced turbulence. Statistical analysis using Shannon entropy and complexity indices reveals that double shear layers achieve 2.8times higher mixing rates than forced turbulence despite lower Reynolds numbers. The solver runs efficiently on standard desktop hardware, with 384times192 grid simulations completing in approximately 31 minutes. Results demonstrate that mixing efficiency depends on instability generation pathways rather than intensity measures alone, challenging Richardson number-based parameterizations and suggesting refinements for subgrid-scale representation in climate models.

We introduce rd-spiral, an open-source Python library for simulating 2D reaction-diffusion systems using pseudo-spectral methods. The framework combines FFT-based spatial discretization with adaptive Dormand-Prince time integration, achieving exponential convergence while maintaining pedagogical clarity. We analyze three dynamical regimes: stable spirals, spatiotemporal chaos, and pattern decay, revealing extreme non-Gaussian statistics (kurtosis >96) in stable states. Information-theoretic metrics show 10.7% reduction in activator-inhibitor coupling during turbulence versus 6.5% in stable regimes. The solver handles stiffness ratios >6:1 with features including automated equilibrium classification and checkpointing. Effect sizes (delta=0.37--0.78) distinguish regimes, with asymmetric field sensitivities to perturbations. By balancing computational rigor with educational transparency, rd-spiral bridges theoretical and practical nonlinear dynamics.

We present the first unified, modular, open-source 3DGS-based simulation framework for Real2Sim2Real robot learning. It features a holistic Real2Sim pipeline that synthesizes hyper-realistic geometry and appearance of complex real-world scenarios, paving the way for analyzing and bridging the Sim2Real gap. Powered by Gaussian Splatting and MuJoCo, Discoverse enables massively parallel simulation of multiple sensor modalities and accurate physics, with inclusive supports for existing 3D assets, robot models, and ROS plugins, empowering large-scale robot learning and complex robotic benchmarks. Through extensive experiments on imitation learning, Discoverse demonstrates state-of-the-art zero-shot Sim2Real transfer performance compared to existing simulators. For code and demos: https://air-discoverse.github.io/.

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.

Robotic manipulation with deformable objects represents a data-intensive regime in embodied learning, where shape, contact, and topology co-evolve in ways that far exceed the variability of rigids. Although simulation promises relief from the cost of real-world data acquisition, prevailing sim-to-real pipelines remain rooted in rigid-body abstractions, producing mismatched geometry, fragile soft dynamics, and motion primitives poorly suited for cloth interaction. We posit that simulation fails not for being synthetic, but for being ungrounded. To address this, we introduce SIM1, a physics-aligned real-to-sim-to-real data engine that grounds simulation in the physical world. Given limited demonstrations, the system digitizes scenes into metric-consistent twins, calibrates deformable dynamics through elastic modeling, and expands behaviors via diffusion-based trajectory generation with quality filtering. This pipeline transforms sparse observations into scaled synthetic supervision with near-demonstration fidelity. Experiments show that policies trained on purely synthetic data achieve parity with real-data baselines at a 1:15 equivalence ratio, while delivering 90% zero-shot success and 50% generalization gains in real-world deployment. These results validate physics-aligned simulation as scalable supervision for deformable manipulation and a practical pathway for data-efficient policy learning.

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

Classical empirical force fields have dominated biomolecular simulation for over 50 years. Although widely used in drug discovery, crystal structure prediction, and biomolecular dynamics, they generally lack the accuracy and transferability required for first-principles predictive modeling. In this paper, we introduce MACE-OFF, a series of short range transferable force fields for organic molecules created using state-of-the-art machine learning technology and first-principles reference data computed with a high level of quantum mechanical theory. MACE-OFF demonstrates the remarkable capabilities of short range models by accurately predicting a wide variety of gas and condensed phase properties of molecular systems. It produces accurate, easy-to-converge dihedral torsion scans of unseen molecules, as well as reliable descriptions of molecular crystals and liquids, including quantum nuclear effects. We further demonstrate the capabilities of MACE-OFF by determining free energy surfaces in explicit solvent, as well as the folding dynamics of peptides.Finally, we simulate a fully solvated small protein, observing accurate secondary structure and vibrational spectrum. These developments enable first-principles simulations of molecular systems for the broader chemistry community at high accuracy and relatively low computational cost.

This paper envisions a quantum database (Qute) that treats quantum computation as a first-class execution option. Unlike prior simulation-based methods that either run quantum algorithms on classical machines or adapt existing databases for quantum simulation, Qute instead (i) compiles an extended form of SQL into gate-efficient quantum circuits, (ii) employs a hybrid optimizer to dynamically select between quantum and classical execution plans, (iii) introduces selective quantum indexing, and (iv) designs fidelity-preserving storage to mitigate current qubit constraints. We also present a three-stage evolution roadmap toward quantum-native database. Finally, by deploying Qute on a real quantum processor (origin_wukong), we show that it outperforms a classical baseline at scale, and we release an open-source prototype at https://github.com/weAIDB/Qute.

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

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}.

Automating scientific discovery in complex, experiment-driven domains requires more than iterative mutation of programs; it demands structured hypothesis management, environment interaction, and principled reflection. We present OR-Agent, a configurable multi-agent research framework designed for automated exploration in rich experimental environments. OR-Agent organizes research as a structured tree-based workflow that explicitly models branching hypothesis generation and systematic backtracking, enabling controlled management of research trajectories beyond simple mutation-crossover loops. At its core, we introduce an evolutionary-systematic ideation mechanism that unifies evolutionary selection of research starting points, comprehensive research plan generation, and coordinated exploration within a research tree. We introduce a hierarchical optimization-inspired reflection system in which short-term reflections act as verbal gradients, long-term reflections as verbal momentum, and memory compression as semantic weight decay, collectively forming a principled mechanism for governing research dynamics. We conduct extensive experiments across classical combinatorial optimization benchmarks as well as simulation-based cooperative driving scenarios. Results demonstrate that OR-Agent outperforms strong evolutionary baselines while providing a general, extensible, and inspectable framework for AI-assisted scientific discovery. All code and experimental data are publicly available at https://github.com/qiliuchn/OR-Agent.

The accuracy of classical force fields (FFs) has been shown to be limited for the simulation of cation-protein systems despite their importance in understanding the processes of life. Improvements can result from optimizing the parameters of classical FFs or by extending the FF formulation by terms describing charge transfer and polarization effects. In this work, we introduce our implementation of the CTPOL model in OpenMM, which extends the classical additive FF formula by adding charge transfer (CT) and polarization (POL). Furthermore, we present an open-source parameterization tool, called FFAFFURR that enables the (system specific) parameterization of OPLS-AA and CTPOL models. The performance of our workflow was evaluated by its ability to reproduce quantum chemistry energies and by molecular dynamics simulations of a Zinc finger protein.

Fault attacks are active, physical attacks that an adversary can leverage to alter the control-flow of embedded devices to gain access to sensitive information or bypass protection mechanisms. Due to the severity of these attacks, manufacturers deploy hardware-based fault defenses into security-critical systems, such as secure elements. The development of these countermeasures is a challenging task due to the complex interplay of circuit components and because contemporary design automation tools tend to optimize inserted structures away, thereby defeating their purpose. Hence, it is critical that such countermeasures are rigorously verified post-synthesis. As classical functional verification techniques fall short of assessing the effectiveness of countermeasures, developers have to resort to methods capable of injecting faults in a simulation testbench or into a physical chip. However, developing test sequences to inject faults in simulation is an error-prone task and performing fault attacks on a chip requires specialized equipment and is incredibly time-consuming. To that end, this paper introduces SYNFI, a formal pre-silicon fault verification framework that operates on synthesized netlists. SYNFI can be used to analyze the general effect of faults on the input-output relationship in a circuit and its fault countermeasures, and thus enables hardware designers to assess and verify the effectiveness of embedded countermeasures in a systematic and semi-automatic way. To demonstrate that SYNFI is capable of handling unmodified, industry-grade netlists synthesized with commercial and open tools, we analyze OpenTitan, the first open-source secure element. In our analysis, we identified critical security weaknesses in the unprotected AES block, developed targeted countermeasures, reassessed their security, and contributed these countermeasures back to the OpenTitan repository.

Free-flow road networks, such as suburban highways, are increasingly experiencing traffic congestion due to growing commuter inflow and limited infrastructure. Traditional control mechanisms, such as traffic signals or local heuristics, are ineffective or infeasible in these high-speed, signal-free environments. We introduce self-regulating cars, a reinforcement learning-based traffic control protocol that dynamically modulates vehicle speeds to optimize throughput and prevent congestion, without requiring new physical infrastructure. Our approach integrates classical traffic flow theory, gap acceptance models, and microscopic simulation into a physics-informed RL framework. By abstracting roads into super-segments, the agent captures emergent flow dynamics and learns robust speed modulation policies from instantaneous traffic observations. Evaluated in the high-fidelity PTV Vissim simulator on a real-world highway network, our method improves total throughput by 5%, reduces average delay by 13%, and decreases total stops by 3% compared to the no-control setting. It also achieves smoother, congestion-resistant flow while generalizing across varied traffic patterns, demonstrating its potential for scalable, ML-driven traffic management.

Classical methods to simulate quantum systems are not only a key element of the physicist's toolkit for studying many-body models but are also increasingly important for verifying and challenging upcoming quantum computers. Pauli propagation has recently emerged as a promising new family of classical algorithms for simulating digital quantum systems. Here we provide a comprehensive account of Pauli propagation, tracing its algorithmic structure from its bit-level implementation and formulation as a tree-search problem, all the way to its high-level user applications for simulating quantum circuits and dynamics. Utilising these observations, we present PauliPropagation.jl, a Julia software package that can perform rapid Pauli propagation simulation straight out-of-the-box and can be used more generally as a building block for novel simulation algorithms.

In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical quantity at time T, where the system is governed by a time-dependent Schr\"odinger equation. This type of control problem also has an intricate relation with machine learning. Our algorithms are based on a time-dependent Hamiltonian simulation method and a fast gradient-estimation algorithm. We also provide a comprehensive error analysis to quantify the total error from various steps, such as the finite-dimensional representation of the control function, the discretization of the Schr\"odinger equation, the numerical quadrature, and optimization. Our quantum algorithms require fault-tolerant quantum computers.

Evaluating LLM agents for scientific tasks has focused on token costs while ignoring tool-use costs like simulation time and experimental resources. As a result, metrics like pass@k become impractical under realistic budget constraints. To address this gap, we introduce SimulCost, the first benchmark targeting cost-sensitive parameter tuning in physics simulations. SimulCost compares LLM tuning cost-sensitive parameters against traditional scanning approach in both accuracy and computational cost, spanning 2,916 single-round (initial guess) and 1,900 multi-round (adjustment by trial-and-error) tasks across 12 simulators from fluid dynamics, solid mechanics, and plasma physics. Each simulator's cost is analytically defined and platform-independent. Frontier LLMs achieve 46--64% success rates in single-round mode, dropping to 35--54% under high accuracy requirements, rendering their initial guesses unreliable especially for high accuracy tasks. Multi-round mode improves rates to 71--80%, but LLMs are 1.5--2.5x slower than traditional scanning, making them uneconomical choices. We also investigate parameter group correlations for knowledge transfer potential, and the impact of in-context examples and reasoning effort, providing practical implications for deployment and fine-tuning. We open-source SimulCost as a static benchmark and extensible toolkit to facilitate research on improving cost-aware agentic designs for physics simulations, and for expanding new simulation environments. Code and data are available at https://github.com/Rose-STL-Lab/SimulCost-Bench.

Large language model (LLM)-based multi-agent systems enable expressive agent reasoning but are expensive to scale and poorly calibrated for timestep-aligned state-transition simulation, while classical agent-based models (ABMs) offer interpretability but struggle to integrate rich individual-level signals and non-stationary behaviors. We propose PhysicsAgentABM, which shifts inference to behaviorally coherent agent clusters: state-specialized symbolic agents encode mechanistic transition priors, a multimodal neural transition model captures temporal and interaction dynamics, and uncertainty-aware epistemic fusion yields calibrated cluster-level transition distributions. Individual agents then stochastically realize transitions under local constraints, decoupling population inference from entity-level variability. We further introduce ANCHOR, an LLM agent-driven clustering strategy based on cross-contextual behavioral responses and a novel contrastive loss, reducing LLM calls by up to 6-8 times. Experiments across public health, finance, and social sciences show consistent gains in event-time accuracy and calibration over mechanistic, neural, and LLM baselines. By re-architecting generative ABM around population-level inference with uncertainty-aware neuro-symbolic fusion, PhysicsAgentABM establishes a new paradigm for scalable and calibrated simulation with LLMs.

Hamiltonian Monte Carlo has proven a remarkable empirical success, but only recently have we begun to develop a rigorous understanding of why it performs so well on difficult problems and how it is best applied in practice. Unfortunately, that understanding is confined within the mathematics of differential geometry which has limited its dissemination, especially to the applied communities for which it is particularly important. In this review I provide a comprehensive conceptual account of these theoretical foundations, focusing on developing a principled intuition behind the method and its optimal implementations rather of any exhaustive rigor. Whether a practitioner or a statistician, the dedicated reader will acquire a solid grasp of how Hamiltonian Monte Carlo works, when it succeeds, and, perhaps most importantly, when it fails.

Recent advancements in video generation have witnessed significant progress, especially with the rapid advancement of diffusion models. Despite this, their deficiencies in physical cognition have gradually received widespread attention - generated content often violates the fundamental laws of physics, falling into the dilemma of ''visual realism but physical absurdity". Researchers began to increasingly recognize the importance of physical fidelity in video generation and attempted to integrate heuristic physical cognition such as motion representations and physical knowledge into generative systems to simulate real-world dynamic scenarios. Considering the lack of a systematic overview in this field, this survey aims to provide a comprehensive summary of architecture designs and their applications to fill this gap. Specifically, we discuss and organize the evolutionary process of physical cognition in video generation from a cognitive science perspective, while proposing a three-tier taxonomy: 1) basic schema perception for generation, 2) passive cognition of physical knowledge for generation, and 3) active cognition for world simulation, encompassing state-of-the-art methods, classical paradigms, and benchmarks. Subsequently, we emphasize the inherent key challenges in this domain and delineate potential pathways for future research, contributing to advancing the frontiers of discussion in both academia and industry. Through structured review and interdisciplinary analysis, this survey aims to provide directional guidance for developing interpretable, controllable, and physically consistent video generation paradigms, thereby propelling generative models from the stage of ''visual mimicry'' towards a new phase of ''human-like physical comprehension''.

Understanding Quantum Technologies 2025 is the 8th update of a free open science ebook that provides a 360 degrees overview of quantum technologies from science and technology to geopolitical and societal issues. It covers quantum physics history, quantum physics 101, gate-based quantum computing, quantum computing engineering (including quantum error corrections, quantum computing energetics and a new subsection of the effects of the Lieb-Robinson limit), quantum computing hardware (all qubit types, including quantum annealing and quantum simulation paradigms, history, science, research, implementation and vendors scientific and engineering approaches and roadmaps), quantum enabling technologies (cryogenics, control electronics, photonics, components fabs and manufacturing process, raw materials), unconventional computing (potential alternatives to quantum and classical computing), quantum computing algorithms, software development tools, resource estimate and benchmark tools, use case and case studies analysis methodologies, application use cases per market, quantum communications and cryptography (including QKD, PQC and QPU interconnect technologies), quantum sensing, quantum technologies around the world, quantum technologies societal impact and even quantum fake sciences. The main audience are computer science engineers, developers and IT specialists as well as quantum scientists and students who want to acquire a global view of how quantum technologies work, and particularly quantum computing. This version is an update to the 2024, 2023, 2022, and 2021 editions published respectively in October 2024, 2023, 2022 and 2021. An update log is provided at the end of the book.

Large language models (LLMs) are revolutionizing education, with LLM-based agents playing a key role in simulating student behavior. A major challenge in student simulation is modeling the diverse learning patterns of students at various cognitive levels. However, current LLMs, typically trained as ``helpful assistants'', target at generating perfect responses. As a result, they struggle to simulate students with diverse cognitive abilities, as they often produce overly advanced answers, missing the natural imperfections that characterize student learning and resulting in unrealistic simulations. To address this issue, we propose a training-free framework for student simulation. We begin by constructing a cognitive prototype for each student using a knowledge graph, which captures their understanding of concepts from past learning records. This prototype is then mapped to new tasks to predict student performance. Next, we simulate student solutions based on these predictions and iteratively refine them using a beam search method to better replicate realistic mistakes. To validate our approach, we construct the Student\_100 dataset, consisting of 100 students working on Python programming and 5,000 learning records. Experimental results show that our method consistently outperforms baseline models, achieving 100% improvement in simulation accuracy.

Realistic physics engines play a crucial role for learning to manipulate deformable objects such as garments in simulation. By doing so, researchers can circumvent challenges such as sensing the deformation of the object in the realworld. In spite of the extensive use of simulations for this task, few works have evaluated the reality gap between deformable object simulators and real-world data. We present a benchmark dataset to evaluate the sim-to-real gap in cloth manipulation. The dataset is collected by performing a dynamic as well as a quasi-static cloth manipulation task involving contact with a rigid table. We use the dataset to evaluate the reality gap, computational time, and simulation stability of four popular deformable object simulators: MuJoCo, Bullet, Flex, and SOFA. Additionally, we discuss the benefits and drawbacks of each simulator. The benchmark dataset is open-source. Supplementary material, videos, and code, can be found at https://sites.google.com/view/cloth-sim2real-benchmark.

What if artificial agents could not just communicate, but also evolve, adapt, and reshape their worlds in ways we cannot fully predict? With llm now powering multi-agent systems and social simulations, we are witnessing new possibilities for modeling open-ended, ever-changing environments. Yet, most current simulations remain constrained within static sandboxes, characterized by predefined tasks, limited dynamics, and rigid evaluation criteria. These limitations prevent them from capturing the complexity of real-world societies. In this paper, we argue that static, task-specific benchmarks are fundamentally inadequate and must be rethought. We critically review emerging architectures that blend llm with multi-agent dynamics, highlight key hurdles such as balancing stability and diversity, evaluating unexpected behaviors, and scaling to greater complexity, and introduce a fresh taxonomy for this rapidly evolving field. Finally, we present a research roadmap centered on open-endedness, continuous co-evolution, and the development of resilient, socially aligned AI ecosystems. We call on the community to move beyond static paradigms and help shape the next generation of adaptive, socially-aware multi-agent simulations.

Recent advances in video generation models have sparked interest in world models capable of simulating realistic environments. While navigation has been well-explored, physically meaningful interactions that mimic real-world forces remain largely understudied. In this work, we investigate using physical forces as a control signal for video generation and propose force prompts which enable users to interact with images through both localized point forces, such as poking a plant, and global wind force fields, such as wind blowing on fabric. We demonstrate that these force prompts can enable videos to respond realistically to physical control signals by leveraging the visual and motion prior in the original pretrained model, without using any 3D asset or physics simulator at inference. The primary challenge of force prompting is the difficulty in obtaining high quality paired force-video training data, both in the real world due to the difficulty of obtaining force signals, and in synthetic data due to limitations in the visual quality and domain diversity of physics simulators. Our key finding is that video generation models can generalize remarkably well when adapted to follow physical force conditioning from videos synthesized by Blender, even with limited demonstrations of few objects. Our method can generate videos which simulate forces across diverse geometries, settings, and materials. We also try to understand the source of this generalization and perform ablations that reveal two key elements: visual diversity and the use of specific text keywords during training. Our approach is trained on only around 15k training examples for a single day on four A100 GPUs, and outperforms existing methods on force adherence and physics realism, bringing world models closer to real-world physics interactions. We release all datasets, code, weights, and interactive video demos at our project page.

Generating simulations to train intelligent agents in game-playing and robotics from natural language input, from user input or task documentation, remains an open-ended challenge. Existing approaches focus on parts of this challenge, such as generating reward functions or task hyperparameters. Unlike previous work, we introduce FACTORSIM that generates full simulations in code from language input that can be used to train agents. Exploiting the structural modularity specific to coded simulations, we propose to use a factored partially observable Markov decision process representation that allows us to reduce context dependence during each step of the generation. For evaluation, we introduce a generative simulation benchmark that assesses the generated simulation code's accuracy and effectiveness in facilitating zero-shot transfers in reinforcement learning settings. We show that FACTORSIM outperforms existing methods in generating simulations regarding prompt alignment (e.g., accuracy), zero-shot transfer abilities, and human evaluation. We also demonstrate its effectiveness in generating robotic tasks.

We have witnessed remarkable advances in LLM reasoning capabilities with the advent of DeepSeek-R1. However, much of this progress has been fueled by the abundance of internet question-answer (QA) pairs, a major bottleneck going forward, since such data is limited in scale and concentrated mainly in domains like mathematics. In contrast, other sciences such as physics lack large-scale QA datasets to effectively train reasoning-capable models. In this work, we show that physics simulators can serve as a powerful alternative source of supervision for training LLMs for physical reasoning. We generate random scenes in physics engines, create synthetic question-answer pairs from simulated interactions, and train LLMs using reinforcement learning on this synthetic data. Our models exhibit zero-shot sim-to-real transfer to real-world physics benchmarks: for example, training solely on synthetic simulated data improves performance on IPhO (International Physics Olympiad) problems by 5-10 percentage points across model sizes. These results demonstrate that physics simulators can act as scalable data generators, enabling LLMs to acquire deep physical reasoning skills beyond the limitations of internet-scale QA data. Code available at: https://sim2reason.github.io/.

Video generation models have achieved remarkable progress in creating high-quality, photorealistic content. However, their ability to accurately simulate physical phenomena remains a critical and unresolved challenge. This paper presents PhyWorldBench, a comprehensive benchmark designed to evaluate video generation models based on their adherence to the laws of physics. The benchmark covers multiple levels of physical phenomena, ranging from fundamental principles like object motion and energy conservation to more complex scenarios involving rigid body interactions and human or animal motion. Additionally, we introduce a novel ""Anti-Physics"" category, where prompts intentionally violate real-world physics, enabling the assessment of whether models can follow such instructions while maintaining logical consistency. Besides large-scale human evaluation, we also design a simple yet effective method that could utilize current MLLM to evaluate the physics realism in a zero-shot fashion. We evaluate 12 state-of-the-art text-to-video generation models, including five open-source and five proprietary models, with a detailed comparison and analysis. we identify pivotal challenges models face in adhering to real-world physics. Through systematic testing of their outputs across 1,050 curated prompts-spanning fundamental, composite, and anti-physics scenarios-we identify pivotal challenges these models face in adhering to real-world physics. We then rigorously examine their performance on diverse physical phenomena with varying prompt types, deriving targeted recommendations for crafting prompts that enhance fidelity to physical principles.

Training large language models for complex reasoning is bottlenecked by the scarcity of verifiable, high-quality data. In domains like physics, standard text augmentation often introduces hallucinations, while static benchmarks lack the reasoning traces required for fine-tuning. We introduce the Infinite Problem Generator (IPG), an agentic framework that synthesizes physics problems with guaranteed solvability through a Formula-as-Code paradigm. Unlike probabilistic text generation, IPG constructs solutions as executable Python programs, enforcing strict mathematical consistency. As a proof-of-concept, we release ClassicalMechanicsV1, a high-fidelity corpus of 1,335 classical mechanics problems expanded from 165 expert seeds. The corpus demonstrates high structural diversity, spanning 102 unique physical formulas with an average complexity of 3.05 formulas per problem. Furthermore, we identify a Complexity Blueprint, demonstrating a strong linear correlation (R^2 approx 0.95) between formula count and verification code length. This relationship establishes code complexity as a precise, proxy-free metric for problem difficulty, enabling controllable curriculum generation. We release the full IPG pipeline, the ClassicalMechanicsV1 dataset, and our evaluation report to support reproducible research in reasoning-intensive domains.

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.

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.

Sim-to-real transfer remains a significant challenge in robotics due to the discrepancies between simulated and real-world dynamics. Traditional methods like Domain Randomization often fail to capture fine-grained dynamics, limiting their effectiveness for precise control tasks. In this work, we propose a novel approach that dynamically adjusts simulation environment parameters online using in-context learning. By leveraging past interaction histories as context, our method adapts the simulation environment dynamics to real-world dynamics without requiring gradient updates, resulting in faster and more accurate alignment between simulated and real-world performance. We validate our approach across two tasks: object scooping and table air hockey. In the sim-to-sim evaluations, our method significantly outperforms the baselines on environment parameter estimation by 80% and 42% in the object scooping and table air hockey setups, respectively. Furthermore, our method achieves at least 70% success rate in sim-to-real transfer on object scooping across three different objects. By incorporating historical interaction data, our approach delivers efficient and smooth system identification, advancing the deployment of robots in dynamic real-world scenarios. Demos are available on our project page: https://sim2real-capture.github.io/

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.

Large language model (LLM) simulations of human behavior have the potential to revolutionize the social and behavioral sciences, if and only if they faithfully reflect real human behaviors. Current evaluations are fragmented, based on bespoke tasks and metrics, creating a patchwork of incomparable results. To address this, we introduce SimBench, the first large-scale, standardized benchmark for a robust, reproducible science of LLM simulation. By unifying 20 diverse datasets covering tasks from moral decision-making to economic choice across a large global participant pool, SimBench provides the necessary foundation to ask fundamental questions about when, how, and why LLM simulations succeed or fail. We show that, while even the best LLMs today have limited simulation ability (score: 40.80/100), performance scales log-linearly with model size. Simulation performance is not improved by increased inference-time compute. We demonstrate an alignment-simulation trade-off: instruction-tuning improves performance on low-entropy (consensus) questions but degrades it on high-entropy (diverse) ones. Models particularly struggle when simulating specific demographic groups. Finally, we demonstrate that simulation ability correlates most strongly with deep, knowledge-intensive reasoning (MMLU-Pro, r=0.939). By making progress measurable, we aim to accelerate the development of more faithful LLM simulators.

Data scaling and standardized evaluation benchmarks have driven significant advances in natural language processing and computer vision. However, robotics faces unique challenges in scaling data and establishing evaluation protocols. Collecting real-world data is resource-intensive and inefficient, while benchmarking in real-world scenarios remains highly complex. Synthetic data and simulation offer promising alternatives, yet existing efforts often fall short in data quality, diversity, and benchmark standardization. To address these challenges, we introduce RoboVerse, a comprehensive framework comprising a simulation platform, a synthetic dataset, and unified benchmarks. Our simulation platform supports multiple simulators and robotic embodiments, enabling seamless transitions between different environments. The synthetic dataset, featuring high-fidelity physics and photorealistic rendering, is constructed through multiple approaches. Additionally, we propose unified benchmarks for imitation learning and reinforcement learning, enabling evaluation across different levels of generalization. At the core of the simulation platform is MetaSim, an infrastructure that abstracts diverse simulation environments into a universal interface. It restructures existing simulation environments into a simulator-agnostic configuration system, as well as an API aligning different simulator functionalities, such as launching simulation environments, loading assets with initial states, stepping the physics engine, etc. This abstraction ensures interoperability and extensibility. Comprehensive experiments demonstrate that RoboVerse enhances the performance of imitation learning, reinforcement learning, world model learning, and sim-to-real transfer. These results validate the reliability of our dataset and benchmarks, establishing RoboVerse as a robust solution for advancing robot learning.

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

Nonlinear ordinary differential equations (ODEs) are powerful tools for modeling real-world dynamical systems. However, propagating initial state uncertainty through nonlinear dynamics, especially when the ODE is unknown and learned from data, remains a major challenge. This paper introduces a novel continuum dynamics perspective for model learning that enables formal uncertainty propagation by constructing Taylor series approximations of probabilistic events. We establish sufficient conditions for the soundness of the approach and prove its asymptotic convergence. Empirical results demonstrate the framework's effectiveness, particularly when predicting rare events.

A significant challenge for robot learning research is our ability to accurately measure and compare the performance of robot policies. Benchmarking in robotics is historically challenging due to the stochasticity, reproducibility, and time-consuming nature of real-world rollouts. This challenge is exacerbated for recent generalist policies, which has to be evaluated across a wide variety of scenes and tasks. Evaluation in simulation offers a scalable complement to real world evaluations, but the visual and physical domain gap between existing simulation benchmarks and the real world has made them an unreliable signal for policy improvement. Furthermore, building realistic and diverse simulated environments has traditionally required significant human effort and expertise. To bridge the gap, we introduce Policy Evaluation and Environment Reconstruction in Simulation (PolaRiS), a scalable real-to-sim framework for high-fidelity simulated robot evaluation. PolaRiS utilizes neural reconstruction methods to turn short video scans of real-world scenes into interactive simulation environments. Additionally, we develop a simple simulation data co-training recipe that bridges remaining real-to-sim gaps and enables zero-shot evaluation in unseen simulation environments. Through extensive paired evaluations between simulation and the real world, we demonstrate that PolaRiS evaluations provide a much stronger correlation to real world generalist policy performance than existing simulated benchmarks. Its simplicity also enables rapid creation of diverse simulated environments. As such, this work takes a step towards distributed and democratized evaluation for the next generation of robotic foundation models.

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.

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.

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.

Simulations of turbulent flows in 3D are one of the most expensive simulations in computational fluid dynamics (CFD). Many works have been written on surrogate models to replace numerical solvers for fluid flows with faster, learned, autoregressive models. However, the intricacies of turbulence in three dimensions necessitate training these models with very small time steps, while generating realistic flow states requires either long roll-outs with many steps and significant error accumulation or starting from a known, realistic flow state - something we aimed to avoid in the first place. Instead, we propose to approach turbulent flow simulation as a generative task directly learning the manifold of all possible turbulent flow states without relying on any initial flow state. For our experiments, we introduce a challenging 3D turbulence dataset of high-resolution flows and detailed vortex structures caused by various objects and derive two novel sample evaluation metrics for turbulent flows. On this dataset, we show that our generative model captures the distribution of turbulent flows caused by unseen objects and generates high-quality, realistic samples amenable for downstream applications without access to any initial state.

We present DecoupledGaussian, a novel system that decouples static objects from their contacted surfaces captured in-the-wild videos, a key prerequisite for realistic Newtonian-based physical simulations. Unlike prior methods focused on synthetic data or elastic jittering along the contact surface, which prevent objects from fully detaching or moving independently, DecoupledGaussian allows for significant positional changes without being constrained by the initial contacted surface. Recognizing the limitations of current 2D inpainting tools for restoring 3D locations, our approach proposes joint Poisson fields to repair and expand the Gaussians of both objects and contacted scenes after separation. This is complemented by a multi-carve strategy to refine the object's geometry. Our system enables realistic simulations of decoupling motions, collisions, and fractures driven by user-specified impulses, supporting complex interactions within and across multiple scenes. We validate DecoupledGaussian through a comprehensive user study and quantitative benchmarks. This system enhances digital interaction with objects and scenes in real-world environments, benefiting industries such as VR, robotics, and autonomous driving. Our project page is at: https://wangmiaowei.github.io/DecoupledGaussian.github.io/.

Existing diffusion-based text-to-3D generation methods primarily focus on producing visually realistic shapes and appearances, often neglecting the physical constraints necessary for downstream tasks. Generated models frequently fail to maintain balance when placed in physics-based simulations or 3D printed. This balance is crucial for satisfying user design intentions in interactive gaming, embodied AI, and robotics, where stable models are needed for reliable interaction. Additionally, stable models ensure that 3D-printed objects, such as figurines for home decoration, can stand on their own without requiring additional supports. To fill this gap, we introduce Atlas3D, an automatic and easy-to-implement method that enhances existing Score Distillation Sampling (SDS)-based text-to-3D tools. Atlas3D ensures the generation of self-supporting 3D models that adhere to physical laws of stability under gravity, contact, and friction. Our approach combines a novel differentiable simulation-based loss function with physically inspired regularization, serving as either a refinement or a post-processing module for existing frameworks. We verify Atlas3D's efficacy through extensive generation tasks and validate the resulting 3D models in both simulated and real-world environments.

We present Yan, a foundational framework for interactive video generation, covering the entire pipeline from simulation and generation to editing. Specifically, Yan comprises three core modules. AAA-level Simulation: We design a highly-compressed, low-latency 3D-VAE coupled with a KV-cache-based shift-window denoising inference process, achieving real-time 1080P/60FPS interactive simulation. Multi-Modal Generation: We introduce a hierarchical autoregressive caption method that injects game-specific knowledge into open-domain multi-modal video diffusion models (VDMs), then transforming the VDM into a frame-wise, action-controllable, real-time infinite interactive video generator. Notably, when the textual and visual prompts are sourced from different domains, the model demonstrates strong generalization, allowing it to blend and compose the style and mechanics across domains flexibly according to user prompts. Multi-Granularity Editing: We propose a hybrid model that explicitly disentangles interactive mechanics simulation from visual rendering, enabling multi-granularity video content editing during interaction through text. Collectively, Yan offers an integration of these modules, pushing interactive video generation beyond isolated capabilities toward a comprehensive AI-driven interactive creation paradigm, paving the way for the next generation of creative tools, media, and entertainment. The project page is: https://greatx3.github.io/Yan/.

The classical Coulomb gas model has served as one of the most versatile frameworks in statistical physics, connecting a vast range of phenomena across many different areas. Nonequilibrium generalisations of this model have so far been studied much more scarcely. With the abundance of contemporary research into active and driven systems, one would naturally expect that such generalisations of systems with long-ranged Coulomb-like interactions will form a fertile playground for interesting developments. Here, we present two examples of novel macroscopic behaviour that arise from nonequilibrium fluctuations in long-range interacting systems, namely (1) unscreened long-ranged correlations in strong electrolytes driven by an external electric field and the associated fluctuation-induced forces in the confined Casimir geometry, and (2) out-of-equilibrium critical behaviour in self-chemotactic models that incorporate the particle polarity in the chemotactic response of the cells. Both of these systems have nonlocal Coulomb-like interactions among their constituent particles, namely, the electrostatic interactions in the case of the driven electrolyte, and the chemotactic forces mediated by fast-diffusing signals in the case of self-chemotactic systems. The results presented here hint to the rich phenomenology of nonequilibrium effects that can arise from strong fluctuations in Coulomb interacting systems, and a rich variety of potential future directions, which are discussed.

Training robot policies in the real world can be unsafe, costly, and difficult to scale. Simulation serves as an inexpensive and potentially limitless source of training data, but suffers from the semantics and physics disparity between simulated and real-world environments. These discrepancies can be minimized by training in digital twins, which serve as virtual replicas of a real scene but are expensive to generate and cannot produce cross-domain generalization. To address these limitations, we propose the concept of digital cousins, a virtual asset or scene that, unlike a digital twin, does not explicitly model a real-world counterpart but still exhibits similar geometric and semantic affordances. As a result, digital cousins simultaneously reduce the cost of generating an analogous virtual environment while also facilitating better robustness during sim-to-real domain transfer by providing a distribution of similar training scenes. Leveraging digital cousins, we introduce a novel method for their automated creation, and propose a fully automated real-to-sim-to-real pipeline for generating fully interactive scenes and training robot policies that can be deployed zero-shot in the original scene. We find that digital cousin scenes that preserve geometric and semantic affordances can be produced automatically, and can be used to train policies that outperform policies trained on digital twins, achieving 90% vs. 25% success rates under zero-shot sim-to-real transfer. Additional details are available at https://digital-cousins.github.io/.

Simulation is an integral part in the process of developing autonomous vehicles and advantageous for training, validation, and verification of driving functions. Even though simulations come with a series of benefits compared to real-world experiments, various challenges still prevent virtual testing from entirely replacing physical test-drives. Our work provides an overview of these challenges with regard to different aspects and types of simulation and subsumes current trends to overcome them. We cover aspects around perception-, behavior- and content-realism as well as general hurdles in the domain of simulation. Among others, we observe a trend of data-driven, generative approaches and high-fidelity data synthesis to increasingly replace model-based simulation.

We present an open-source Python implementation of an idealized high-order pseudo-spectral solver for the one-dimensional nonlinear Schr\"odinger equation (NLSE). The solver combines Fourier spectral spatial discretization with an adaptive eighth-order Dormand-Prince time integration scheme to achieve machine-precision conservation of mass and near-perfect preservation of momentum and energy for smooth solutions. The implementation accurately reproduces fundamental NLSE phenomena including soliton collisions with analytically predicted phase shifts, Akhmediev breather dynamics, and the development of modulation instability from noisy initial conditions. Four canonical test cases validate the numerical scheme: single soliton propagation, two-soliton elastic collision, breather evolution, and noise-seeded modulation instability. The solver employs a 2/3 dealiasing rule with exponential filtering to prevent aliasing errors from the cubic nonlinearity. Statistical analysis using Shannon, R\'enyi, and Tsallis entropies quantifies the spatio-temporal complexity of solutions, while phase space representations reveal the underlying coherence structure. The implementation prioritizes code transparency and educational accessibility over computational performance, providing a valuable pedagogical tool for exploring nonlinear wave dynamics. Complete source code, documentation, and example configurations are freely available, enabling reproducible computational experiments across diverse physical contexts where the NLSE governs wave evolution, including nonlinear optics, Bose-Einstein condensates, and ocean surface waves.

Varying dynamics parameters in simulation is a popular Domain Randomization (DR) approach for overcoming the reality gap in Reinforcement Learning (RL). Nevertheless, DR heavily hinges on the choice of the sampling distribution of the dynamics parameters, since high variability is crucial to regularize the agent's behavior but notoriously leads to overly conservative policies when randomizing excessively. In this paper, we propose a novel approach to address sim-to-real transfer, which automatically shapes dynamics distributions during training in simulation without requiring real-world data. We introduce DOmain RAndomization via Entropy MaximizatiON (DORAEMON), a constrained optimization problem that directly maximizes the entropy of the training distribution while retaining generalization capabilities. In achieving this, DORAEMON gradually increases the diversity of sampled dynamics parameters as long as the probability of success of the current policy is sufficiently high. We empirically validate the consistent benefits of DORAEMON in obtaining highly adaptive and generalizable policies, i.e. solving the task at hand across the widest range of dynamics parameters, as opposed to representative baselines from the DR literature. Notably, we also demonstrate the Sim2Real applicability of DORAEMON through its successful zero-shot transfer in a robotic manipulation setup under unknown real-world parameters.

Recent advances in deep learning have inspired numerous works on data-driven solutions to partial differential equation (PDE) problems. These neural PDE solvers can often be much faster than their numerical counterparts; however, each presents its unique limitations and generally balances training cost, numerical accuracy, and ease of applicability to different problem setups. To address these limitations, we introduce several methods to apply latent diffusion models to physics simulation. Firstly, we introduce a mesh autoencoder to compress arbitrarily discretized PDE data, allowing for efficient diffusion training across various physics. Furthermore, we investigate full spatio-temporal solution generation to mitigate autoregressive error accumulation. Lastly, we investigate conditioning on initial physical quantities, as well as conditioning solely on a text prompt to introduce text2PDE generation. We show that language can be a compact, interpretable, and accurate modality for generating physics simulations, paving the way for more usable and accessible PDE solvers. Through experiments on both uniform and structured grids, we show that the proposed approach is competitive with current neural PDE solvers in both accuracy and efficiency, with promising scaling behavior up to sim3 billion parameters. By introducing a scalable, accurate, and usable physics simulator, we hope to bring neural PDE solvers closer to practical use.

Generative models trained on internet data have revolutionized how text, image, and video content can be created. Perhaps the next milestone for generative models is to simulate realistic experience in response to actions taken by humans, robots, and other interactive agents. Applications of a real-world simulator range from controllable content creation in games and movies, to training embodied agents purely in simulation that can be directly deployed in the real world. We explore the possibility of learning a universal simulator (UniSim) of real-world interaction through generative modeling. We first make the important observation that natural datasets available for learning a real-world simulator are often rich along different axes (e.g., abundant objects in image data, densely sampled actions in robotics data, and diverse movements in navigation data). With careful orchestration of diverse datasets, each providing a different aspect of the overall experience, UniSim can emulate how humans and agents interact with the world by simulating the visual outcome of both high-level instructions such as "open the drawer" and low-level controls such as "move by x, y" from otherwise static scenes and objects. There are numerous use cases for such a real-world simulator. As an example, we use UniSim to train both high-level vision-language planners and low-level reinforcement learning policies, each of which exhibit zero-shot real-world transfer after training purely in a learned real-world simulator. We also show that other types of intelligence such as video captioning models can benefit from training with simulated experience in UniSim, opening up even wider applications. Video demos can be found at https://universal-simulator.github.io.

Robotic simulators are crucial for academic research and education as well as the development of safety-critical applications. Reinforcement learning environments -- simple simulations coupled with a problem specification in the form of a reward function -- are also important to standardize the development (and benchmarking) of learning algorithms. Yet, full-scale simulators typically lack portability and parallelizability. Vice versa, many reinforcement learning environments trade-off realism for high sample throughputs in toy-like problems. While public data sets have greatly benefited deep learning and computer vision, we still lack the software tools to simultaneously develop -- and fairly compare -- control theory and reinforcement learning approaches. In this paper, we propose an open-source OpenAI Gym-like environment for multiple quadcopters based on the Bullet physics engine. Its multi-agent and vision based reinforcement learning interfaces, as well as the support of realistic collisions and aerodynamic effects, make it, to the best of our knowledge, a first of its kind. We demonstrate its use through several examples, either for control (trajectory tracking with PID control, multi-robot flight with downwash, etc.) or reinforcement learning (single and multi-agent stabilization tasks), hoping to inspire future research that combines control theory and machine learning.

Reinforcement learning (RL) has shown promise in creating robust policies for robotics tasks. However, contemporary RL algorithms are data-hungry, often requiring billions of environment transitions to train successful policies. This necessitates the use of fast and highly-parallelizable simulators. In addition to speed, such simulators need to model the physics of the robots and their interaction with the environment to a level acceptable for transferring policies learned in simulation to reality. We present QuadSwarm, a fast, reliable simulator for research in single and multi-robot RL for quadrotors that addresses both issues. QuadSwarm, with fast forward-dynamics propagation decoupled from rendering, is designed to be highly parallelizable such that throughput scales linearly with additional compute. It provides multiple components tailored toward multi-robot RL, including diverse training scenarios, and provides domain randomization to facilitate the development and sim2real transfer of multi-quadrotor control policies. Initial experiments suggest that QuadSwarm achieves over 48,500 simulation samples per second (SPS) on a single quadrotor and over 62,000 SPS on eight quadrotors on a 16-core CPU. The code can be found in https://github.com/Zhehui-Huang/quad-swarm-rl.

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.

Numerical simulation of non-linear partial differential equations plays a crucial role in modeling physical science and engineering phenomena, such as weather, climate, and aerodynamics. Recent Machine Learning (ML) models trained on low-resolution spatio-temporal signals have shown new promises in capturing important dynamics in high-resolution signals, under the condition that the models can effectively recover the missing details. However, this study shows that significant information is often lost in the low-resolution down-sampled features. To address such issues, we propose a new approach, namely Temporal Stencil Modeling (TSM), which combines the strengths of advanced time-series sequence modeling (with the HiPPO features) and state-of-the-art neural PDE solvers (with learnable stencil modeling). TSM aims to recover the lost information from the PDE trajectories and can be regarded as a temporal generalization of classic finite volume methods such as WENO. Our experimental results show that TSM achieves the new state-of-the-art simulation accuracy for 2-D incompressible Navier-Stokes turbulent flows: it significantly outperforms the previously reported best results by 19.9% in terms of the highly-correlated duration time and reduces the inference latency into 80%. We also show a strong generalization ability of the proposed method to various out-of-distribution turbulent flow settings. Our code is available at "https://github.com/Edward-Sun/TSM-PDE".

A large amount of effort has recently been put into understanding the barren plateau phenomenon. In this perspective article, we face the increasingly loud elephant in the room and ask a question that has been hinted at by many but not explicitly addressed: Can the structure that allows one to avoid barren plateaus also be leveraged to efficiently simulate the loss classically? We present strong evidence that commonly used models with provable absence of barren plateaus are also classically simulable, provided that one can collect some classical data from quantum devices during an initial data acquisition phase. This follows from the observation that barren plateaus result from a curse of dimensionality, and that current approaches for solving them end up encoding the problem into some small, classically simulable, subspaces. Thus, while stressing quantum computers can be essential for collecting data, our analysis sheds serious doubt on the non-classicality of the information processing capabilities of parametrized quantum circuits for barren plateau-free landscapes. We end by discussing caveats in our arguments, the role of smart initializations and the possibility of provably superpolynomial, or simply practical, advantages from running parametrized quantum circuits.

Learning physical simulations has been an essential and central aspect of many recent research efforts in machine learning, particularly for Navier-Stokes-based fluid mechanics. Classic numerical solvers have traditionally been computationally expensive and challenging to use in inverse problems, whereas Neural solvers aim to address both concerns through machine learning. We propose a general formulation for continuous convolutions using separable basis functions as a superset of existing methods and evaluate a large set of basis functions in the context of (a) a compressible 1D SPH simulation, (b) a weakly compressible 2D SPH simulation, and (c) an incompressible 2D SPH Simulation. We demonstrate that even and odd symmetries included in the basis functions are key aspects of stability and accuracy. Our broad evaluation shows that Fourier-based continuous convolutions outperform all other architectures regarding accuracy and generalization. Finally, using these Fourier-based networks, we show that prior inductive biases, such as window functions, are no longer necessary. An implementation of our approach, as well as complete datasets and solver implementations, is available at https://github.com/tum-pbs/SFBC.

Current video generation models cannot simulate physical consequences of 3D actions like forces and robotic manipulations, as they lack structural understanding of how actions affect 3D scenes. We present RealWonder, the first real-time system for action-conditioned video generation from a single image. Our key insight is using physics simulation as an intermediate bridge: instead of directly encoding continuous actions, we translate them through physics simulation into visual representations (optical flow and RGB) that video models can process. RealWonder integrates three components: 3D reconstruction from single images, physics simulation, and a distilled video generator requiring only 4 diffusion steps. Our system achieves 13.2 FPS at 480x832 resolution, enabling interactive exploration of forces, robot actions, and camera controls on rigid objects, deformable bodies, fluids, and granular materials. We envision RealWonder opens new opportunities to apply video models in immersive experiences, AR/VR, and robot learning. Our code and model weights are publicly available in our project website: https://liuwei283.github.io/RealWonder/

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.

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.

In recent years, machine learning models like DALL-E, Craiyon, and Stable Diffusion have gained significant attention for their ability to generate high-resolution images from concise descriptions. Concurrently, quantum computing is showing promising advances, especially with quantum machine learning which capitalizes on quantum mechanics to meet the increasing computational requirements of traditional machine learning algorithms. This paper explores the integration of quantum machine learning and variational quantum circuits to augment the efficacy of diffusion-based image generation models. Specifically, we address two challenges of classical diffusion models: their low sampling speed and the extensive parameter requirements. We introduce two quantum diffusion models and benchmark their capabilities against their classical counterparts using MNIST digits, Fashion MNIST, and CIFAR-10. Our models surpass the classical models with similar parameter counts in terms of performance metrics FID, SSIM, and PSNR. Moreover, we introduce a consistency model unitary single sampling architecture that combines the diffusion procedure into a single step, enabling a fast one-step image generation.

It is desired to equip robots with the capability of interacting with various soft materials as they are ubiquitous in the real world. While physics simulations are one of the predominant methods for data collection and robot training, simulating soft materials presents considerable challenges. Specifically, it is significantly more costly than simulating rigid objects in terms of simulation speed and storage requirements. These limitations typically restrict the scope of studies on soft materials to small and bounded areas, thereby hindering the learning of skills in broader spaces. To address this issue, we introduce UBSoft, a new simulation platform designed to support unbounded soft environments for robot skill acquisition. Our platform utilizes spatially adaptive resolution scales, where simulation resolution dynamically adjusts based on proximity to active robotic agents. Our framework markedly reduces the demand for extensive storage space and computation costs required for large-scale scenarios involving soft materials. We also establish a set of benchmark tasks in our platform, including both locomotion and manipulation tasks, and conduct experiments to evaluate the efficacy of various reinforcement learning algorithms and trajectory optimization techniques, both gradient-based and sampling-based. Preliminary results indicate that sampling-based trajectory optimization generally achieves better results for obtaining one trajectory to solve the task. Additionally, we conduct experiments in real-world environments to demonstrate that advancements made in our UBSoft simulator could translate to improved robot interactions with large-scale soft material. More videos can be found at https://vis-www.cs.umass.edu/ubsoft/.

We present BEHAVIOR-1K, a comprehensive simulation benchmark for human-centered robotics. BEHAVIOR-1K includes two components, guided and motivated by the results of an extensive survey on "what do you want robots to do for you?". The first is the definition of 1,000 everyday activities, grounded in 50 scenes (houses, gardens, restaurants, offices, etc.) with more than 9,000 objects annotated with rich physical and semantic properties. The second is OMNIGIBSON, a novel simulation environment that supports these activities via realistic physics simulation and rendering of rigid bodies, deformable bodies, and liquids. Our experiments indicate that the activities in BEHAVIOR-1K are long-horizon and dependent on complex manipulation skills, both of which remain a challenge for even state-of-the-art robot learning solutions. To calibrate the simulation-to-reality gap of BEHAVIOR-1K, we provide an initial study on transferring solutions learned with a mobile manipulator in a simulated apartment to its real-world counterpart. We hope that BEHAVIOR-1K's human-grounded nature, diversity, and realism make it valuable for embodied AI and robot learning research. Project website: https://behavior.stanford.edu.

Recent advances in video generation have opened new avenues for macroscopic simulation of complex dynamic systems, but their application to microscopic phenomena remains largely unexplored. Microscale simulation holds great promise for biomedical applications such as drug discovery, organ-on-chip systems, and disease mechanism studies, while also showing potential in education and interactive visualization. In this work, we introduce MicroWorldBench, a multi-level rubric-based benchmark for microscale simulation tasks. MicroWorldBench enables systematic, rubric-based evaluation through 459 unique expert-annotated criteria spanning multiple microscale simulation task (e.g., organ-level processes, cellular dynamics, and subcellular molecular interactions) and evaluation dimensions (e.g., scientific fidelity, visual quality, instruction following). MicroWorldBench reveals that current SOTA video generation models fail in microscale simulation, showing violations of physical laws, temporal inconsistency, and misalignment with expert criteria. To address these limitations, we construct MicroSim-10K, a high-quality, expert-verified simulation dataset. Leveraging this dataset, we train MicroVerse, a video generation model tailored for microscale simulation. MicroVerse can accurately reproduce complex microscale mechanism. Our work first introduce the concept of Micro-World Simulation and present a proof of concept, paving the way for applications in biology, education, and scientific visualization. Our work demonstrates the potential of educational microscale simulations of biological mechanisms. Our data and code are publicly available at https://github.com/FreedomIntelligence/MicroVerse

We present Qiskit Machine Learning (ML), a high-level Python library that combines elements of quantum computing with traditional machine learning. The API abstracts Qiskit's primitives to facilitate interactions with classical simulators and quantum hardware. Qiskit ML started as a proof-of-concept code in 2019 and has since been developed to be a modular, intuitive tool for non-specialist users while allowing extensibility and fine-tuning controls for quantum computational scientists and developers. The library is available as a public, open-source tool and is distributed under the Apache version 2.0 license.