Daily Papers

Evaluating large language models (LLMs) for instrument control requires methods that go beyond standard, stateless algorithmic benchmarks, since the behavior of physical systems cannot be fully captured by unit tests alone. Here we introduce EnvTrace, a simulation-based method that evaluates execution traces to assess semantic code equivalence. EnvTrace is demonstrated with a beamline control-logic digital twin to facilitate the evaluation of instrument control code, with the digital twin itself also enabling the pre-execution validation of live experiments. Over 30 LLMs were evaluated using trace alignment to generate a multi-faceted score for functional correctness across key behavioral dimensions, showing that many top-tier models can approach human-level performance in rapid control-code generation. This is a first step toward a broader vision where LLMs and digital twins work symbiotically: LLMs providing intuitive control and agentic orchestration, and digital twins offering safe and high-fidelity environments, paving the way towards autonomous embodied AI.

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.

Recent advances in leveraging the agentic paradigm of large language models (LLMs) utilization have significantly enhanced Text-to-SQL capabilities, enabling users without specialized database expertise to query data intuitively. However, deploying these agentic LLM-based Text-to-SQL systems in production poses substantial challenges due to their inherently multi-stage workflows, stringent latency constraints, and potentially heterogeneous GPU infrastructure in enterprise environments. Current LLM serving frameworks lack effective mechanisms for handling interdependent inference tasks, dynamic latency variability, and resource heterogeneity, leading to suboptimal performance and frequent service-level objective (SLO) violations. In this paper, we introduce HEXGEN-TEXT2SQL, a novel framework designed explicitly to schedule and execute agentic multi-stage LLM-based Text-to-SQL workflows on heterogeneous GPU clusters that handle multi-tenant end-to-end queries. HEXGEN-TEXT2SQL introduce a hierarchical scheduling approach combining global workload-balanced task dispatching and local adaptive urgency-guided prioritization, guided by a systematic analysis of agentic Text-to-SQL workflows. Additionally, we propose a lightweight simulation-based method for tuning critical scheduling hyperparameters, further enhancing robustness and adaptability. Our extensive evaluation on realistic Text-to-SQL benchmarks demonstrates that HEXGEN-TEXT2SQL significantly outperforms state-of-the-art LLM serving frameworks. Specifically, HEXGEN-TEXT2SQL reduces latency deadlines by up to 1.67times (average: 1.41times) and improves system throughput by up to 1.75times (average: 1.65times) compared to vLLM under diverse, realistic workload conditions. Our code is available at https://github.com/Relaxed-System-Lab/Hexgen-Flow.

The ability to generate 3D multiphase microstructures on-demand with targeted attributes can greatly accelerate the design of advanced materials. Here, we present a conditional latent diffusion model (LDM) framework that rapidly synthesizes high-fidelity 3D multiphase microstructures tailored to user specifications. Using this approach, we generate diverse two-phase and three-phase microstructures at high resolution (volumes of 128 times 128 times 64 voxels, representing >10^6 voxels each) within seconds, overcoming the scalability and time limitations of traditional simulation-based methods. Key design features, such as desired volume fractions and tortuosities, are incorporated as controllable inputs to guide the generative process, ensuring that the output structures meet prescribed statistical and topological targets. Moreover, the framework predicts corresponding manufacturing (processing) parameters for each generated microstructure, helping to bridge the gap between digital microstructure design and experimental fabrication. While demonstrated on organic photovoltaic (OPV) active-layer morphologies, the flexible architecture of our approach makes it readily adaptable to other material systems and microstructure datasets. By combining computational efficiency, adaptability, and experimental relevance, this framework addresses major limitations of existing methods and offers a powerful tool for accelerated materials discovery.

Due to the difficulty in collecting large-scale and perfectly aligned paired training data for Under-Display Camera (UDC) image restoration, previous methods resort to monitor-based image systems or simulation-based methods, sacrificing the realness of the data and introducing domain gaps. In this work, we revisit the classic stereo setup for training data collection -- capturing two images of the same scene with one UDC and one standard camera. The key idea is to "copy" details from a high-quality reference image and "paste" them on the UDC image. While being able to generate real training pairs, this setting is susceptible to spatial misalignment due to perspective and depth of field changes. The problem is further compounded by the large domain discrepancy between the UDC and normal images, which is unique to UDC restoration. In this paper, we mitigate the non-trivial domain discrepancy and spatial misalignment through a novel Transformer-based framework that generates well-aligned yet high-quality target data for the corresponding UDC input. This is made possible through two carefully designed components, namely, the Domain Alignment Module (DAM) and Geometric Alignment Module (GAM), which encourage robust and accurate discovery of correspondence between the UDC and normal views. Extensive experiments show that high-quality and well-aligned pseudo UDC training pairs are beneficial for training a robust restoration network. Code and the dataset are available at https://github.com/jnjaby/AlignFormer.

Neural Posterior Estimation methods for simulation-based inference can be ill-suited for dealing with posterior distributions obtained by conditioning on multiple observations, as they tend to require a large number of simulator calls to learn accurate approximations. In contrast, Neural Likelihood Estimation methods can handle multiple observations at inference time after learning from individual observations, but they rely on standard inference methods, such as MCMC or variational inference, which come with certain performance drawbacks. We introduce a new method based on conditional score modeling that enjoys the benefits of both approaches. We model the scores of the (diffused) posterior distributions induced by individual observations, and introduce a way of combining the learned scores to approximately sample from the target posterior distribution. Our approach is sample-efficient, can naturally aggregate multiple observations at inference time, and avoids the drawbacks of standard inference methods.

Simulation is widely used in robotics for system verification and large-scale data collection. However, simulating sensors, including tactile sensors, has been a long-standing challenge. In this paper, we propose Taxim, a realistic and high-speed simulation model for a vision-based tactile sensor, GelSight. A GelSight sensor uses a piece of soft elastomer as the medium of contact and embeds optical structures to capture the deformation of the elastomer, which infers the geometry and forces applied at the contact surface. We propose an example-based method for simulating GelSight: we simulate the optical response to the deformation with a polynomial look-up table. This table maps the deformed geometries to pixel intensity sampled by the embedded camera. In order to simulate the surface markers' motion that is caused by the surface stretch of the elastomer, we apply the linear elastic deformation theory and the superposition principle. The simulation model is calibrated with less than 100 data points from a real sensor. The example-based approach enables the model to easily migrate to other GelSight sensors or its variations. To the best of our knowledge, our simulation framework is the first to incorporate marker motion field simulation that derives from elastomer deformation together with the optical simulation, creating a comprehensive and computationally efficient tactile simulation framework. Experiments reveal that our optical simulation has the lowest pixel-wise intensity errors compared to prior work and can run online with CPU computing. Our code and supplementary materials are open-sourced at https://github.com/CMURoboTouch/Taxim.

End-to-end autonomous driving policies based on Imitation Learning (IL) often struggle in closed-loop execution due to the misalignment between inadequate open-loop training objectives and real driving requirements. While Reinforcement Learning (RL) offers a solution by directly optimizing driving goals via reward signals, the rendering-based training environments introduce the rendering gap and are inefficient due to high computational costs. To overcome these challenges, we present a novel Pseudo-simulation-based RL method for closed-loop end-to-end autonomous driving, PerlAD. Based on offline datasets, PerlAD constructs a pseudo-simulation that operates in vector space, enabling efficient, rendering-free trial-and-error training. To bridge the gap between static datasets and dynamic closed-loop environments, PerlAD introduces a prediction world model that generates reactive agent trajectories conditioned on the ego vehicle's plan. Furthermore, to facilitate efficient planning, PerlAD utilizes a hierarchical decoupled planner that combines IL for lateral path generation and RL for longitudinal speed optimization. Comprehensive experimental results demonstrate that PerlAD achieves state-of-the-art performance on the Bench2Drive benchmark, surpassing the previous E2E RL method by 10.29% in Driving Score without requiring expensive online interactions. Additional evaluations on the DOS benchmark further confirm its reliability in handling safety-critical occlusion scenarios.

Achieving both realism and controllability in interactive closed-loop traffic simulation remains a key challenge in autonomous driving. Data-driven simulation methods reproduce realistic trajectories but suffer from covariate shift in closed-loop deployment, compounded by simplified dynamics models that further reduce reliability. Conversely, physics-based simulation methods enhance reliable and controllable closed-loop interactions but often lack expert demonstrations, compromising realism. To address these challenges, we introduce a dual-stage AV-centered simulation framework that conducts open-loop imitation learning pre-training in a data-driven simulator to capture trajectory-level realism and multimodality, followed by closed-loop reinforcement learning fine-tuning in a physics-based simulator to enhance controllability and mitigate covariate shift. In the fine-tuning stage, we propose RIFT, a simple yet effective closed-loop RL fine-tuning strategy that preserves the trajectory-level multimodality through a GRPO-style group-relative advantage formulation, while enhancing controllability and training stability by replacing KL regularization with the dual-clip mechanism. Extensive experiments demonstrate that RIFT significantly improves the realism and controllability of generated traffic scenarios, providing a robust platform for evaluating autonomous vehicle performance in diverse and interactive scenarios.

Large language models (LLMs) have recently been adopted as synthetic agents for public opinion simulation, offering a promising alternative to costly and slow human surveys. Despite their scalability, current LLM-based simulation methods fail to capture social diversity, producing flattened inter-group differences and overly homogeneous responses across demographic groups. We identify this limitation as a Diversity Collapse phenomenon in LLM hidden representations, where distinct social identities become increasingly indistinguishable across layers. Motivated by this observation, we propose Parametric Social Identity Injection (PSII), a general framework that injects explicit, parametric representations of demographic attributes and value orientations directly into intermediate hidden states of LLMs. Unlike prompt-based persona conditioning, PSII enables fine-grained and controllable identity modulation at the representation level. Extensive experiments on the World Values Survey using multiple open-source LLMs show that PSII significantly improves distributional fidelity and diversity, reducing KL divergence to real-world survey data while enhancing overall diversity. This work provides new insights into representation-level control of LLM agents and advances scalable, diversity-aware public opinion simulation.

Building dialogue systems requires a large corpus of annotated dialogues. Such datasets are usually created via crowdsourcing, which is expensive and time-consuming. In this paper, we propose Dialogic, a novel dialogue simulation method based on large language model in-context learning to automate dataset creation. Seeded with a few annotated dialogues, Dialogic automatically selects in-context examples for demonstration and prompts GPT-3 to generate new dialogues and annotations in a controllable way. Our method can rapidly expand a small set of dialogue data with minimum or zero human involvement and parameter update and is thus much more cost-efficient and time-saving than crowdsourcing. Experimental results on the MultiWOZ dataset demonstrate that training a model on the simulated dialogues leads to even better performance than using the same amount of human-generated dialogues under the challenging low-resource settings, with as few as 85 dialogues as a seed. When enough data is available, our method can still serve as an effective data augmentation method. Human evaluation results also show that our simulated dialogues have near-human fluency and annotation accuracy. The code and data are available at \url{https://github.com/Leezekun/dialogic}.

Agentic task-solving with Large Language Models (LLMs) requires multi-turn, multi-step interactions, often involving complex function calls and dynamic user-agent exchanges. Existing simulation-based data generation methods for such scenarios rely heavily on costly autoregressive interactions between multiple LLM agents, thereby limiting real-world performance of agentic tasks. In this paper, we propose a novel Non-Autoregressive Iterative Generation framework, called ToolACE-MT, for constructing high-quality multi-turn agentic dialogues. ToolACE-MT generates full conversational trajectories through three stages: coarse-grained initialization, iterative refinement, and offline verification. The initialization phase builds a structurally complete yet semantically coarse dialogue skeleton; the iterative refinement phase introduces realistic complexities and continued refinement via mask-and-fill operations; and the offline verification phase ensures correctness and coherence via rule- and model-based checks. Experiments demonstrate that ToolACE-MT enables efficient, effective and generalizable agentic data generation, offering a new paradigm for high-quality data construction in tool-augmented LLM scenarios.

Since hands are the primary interface in daily interactions, modeling high-quality digital human hands and rendering realistic images is a critical research problem. Furthermore, considering the requirements of interactive and rendering applications, it is essential to achieve real-time rendering and driveability of the digital model without compromising rendering quality. Thus, we propose Jointly 3D Gaussian Hand (JGHand), a novel joint-driven 3D Gaussian Splatting (3DGS)-based hand representation that renders high-fidelity hand images in real-time for various poses and characters. Distinct from existing articulated neural rendering techniques, we introduce a differentiable process for spatial transformations based on 3D key points. This process supports deformations from the canonical template to a mesh with arbitrary bone lengths and poses. Additionally, we propose a real-time shadow simulation method based on per-pixel depth to simulate self-occlusion shadows caused by finger movements. Finally, we embed the hand prior and propose an animatable 3DGS representation of the hand driven solely by 3D key points. We validate the effectiveness of each component of our approach through comprehensive ablation studies. Experimental results on public datasets demonstrate that JGHand achieves real-time rendering speeds with enhanced quality, surpassing state-of-the-art methods.

The Markov entropy decomposition (MED) is a recently-proposed, cluster-based simulation method for finite temperature quantum systems with arbitrary geometry. In this paper, we detail numerical algorithms for performing the required steps of the MED, principally solving a minimization problem with a preconditioned Newton's algorithm, as well as how to extract global susceptibilities and thermal responses. We demonstrate the power of the method with the spin-1/2 XXZ model on the 2D square lattice, including the extraction of critical points and details of each phase. Although the method shares some qualitative similarities with exact-diagonalization, we show the MED is both more accurate and significantly more flexible.

Parameter estimation for gravitational-wave signals is computationally demanding due to the high dimensionality of the parameter space and the cost of repeated waveform generation in traditional Bayesian inference. These analyses require on the order of 10^8 likelihood evaluations and waveform generations, resulting in inference times of hours to days per event. Furthermore, discrepancies between waveform models introduce systematic uncertainties that can bias inferred source properties. To address these challenges, we propose a novel framework based on Simulation-based Inference (SBI) and Neural Posterior Estimation (NPE) and apply it to signals from Intermediate-Mass Black Holes (IMBH). In this framework, we train a single amortised neural posterior estimator on a large simulated dataset generated using two state-of-the-art waveform approximants, IMRPhenomXPHM and SEOBNRv5PHM. By treating the waveform model index as a latent variable, the network learns to produce posterior distributions that are naturally marginalized over the discrepancies of the two waveform models. Once trained, the model enables direct posterior sampling in milliseconds per event, eliminating the need for likelihood evaluations while simultaneously accounting for model systematics. We demonstrate that this approach recovers accurate posterior distributions for IMBH signals injected into Gaussian noise, achieving close agreement with traditional nested-sampling results while reducing inference time by several orders of magnitude. Our results show that NPE can robustly incorporate waveform-model systematics within a unified framework, offering a scalable path toward rapid, systematics-aware gravitational-wave inference. Establishing these methods as promising alternatives to classical likelihood-based pipelines for current and future high-mass gravitational-wave observations.

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 development of open benchmarking platforms could greatly accelerate the adoption of AI agents in retail. This paper presents comprehensive simulations of customer shopping behaviors for the purpose of benchmarking reinforcement learning (RL) agents that optimize coupon targeting. The difficulty of this learning problem is largely driven by the sparsity of customer purchase events. We trained agents using offline batch data comprising summarized customer purchase histories to help mitigate this effect. Our experiments revealed that contextual bandit and deep RL methods that are less prone to over-fitting the sparse reward distributions significantly outperform static policies. This study offers a practical framework for simulating AI agents that optimize the entire retail customer journey. It aims to inspire the further development of simulation tools for retail AI systems.

Branches swaying in the breeze, flags rippling in the wind, and boats rocking on the water all show how aerodynamics shape natural motion -- an effect crucial for realism in vision and graphics. In this paper, we present Gaussian Swaying, a surface-based framework for aerodynamic simulation using 3D Gaussians. Unlike mesh-based methods that require costly meshing, or particle-based approaches that rely on discrete positional data, Gaussian Swaying models surfaces continuously with 3D Gaussians, enabling efficient and fine-grained aerodynamic interaction. Our framework unifies simulation and rendering on the same representation: Gaussian patches, which support force computation for dynamics while simultaneously providing normals for lightweight shading. Comprehensive experiments on both synthetic and real-world datasets across multiple metrics demonstrate that Gaussian Swaying achieves state-of-the-art performance and efficiency, offering a scalable approach for realistic aerodynamic scene simulation.

Segmentation of blood vessels in murine cerebral 3D OCTA images is foundational for in vivo quantitative analysis of the effects of neurovascular disorders, such as stroke or Alzheimer's, on the vascular network. However, to accurately segment blood vessels with state-of-the-art deep learning methods, a vast amount of voxel-level annotations is required. Since cerebral 3D OCTA images are typically plagued by artifacts and generally have a low signal-to-noise ratio, acquiring manual annotations poses an especially cumbersome and time-consuming task. To alleviate the need for manual annotations, we propose utilizing synthetic data to supervise segmentation algorithms. To this end, we extract patches from vessel graphs and transform them into synthetic cerebral 3D OCTA images paired with their matching ground truth labels by simulating the most dominant 3D OCTA artifacts. In extensive experiments, we demonstrate that our approach achieves competitive results, enabling annotation-free blood vessel segmentation in cerebral 3D OCTA images.

Many machine learning applications require operating on a spatially distributed dataset. Despite technological advances, privacy considerations and communication constraints may prevent gathering the entire dataset in a central unit. In this paper, we propose a distributed sampling scheme based on the alternating direction method of multipliers, which is commonly used in the optimization literature due to its fast convergence. In contrast to distributed optimization, distributed sampling allows for uncertainty quantification in Bayesian inference tasks. We provide both theoretical guarantees of our algorithm's convergence and experimental evidence of its superiority to the state-of-the-art. For our theoretical results, we use convex optimization tools to establish a fundamental inequality on the generated local sample iterates. This inequality enables us to show convergence of the distribution associated with these iterates to the underlying target distribution in Wasserstein distance. In simulation, we deploy our algorithm on linear and logistic regression tasks and illustrate its fast convergence compared to existing gradient-based methods.

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

We present extensive empirical evidence showing that current Bayesian simulation-based inference algorithms can produce computationally unfaithful posterior approximations. Our results show that all benchmarked algorithms -- (Sequential) Neural Posterior Estimation, (Sequential) Neural Ratio Estimation, Sequential Neural Likelihood and variants of Approximate Bayesian Computation -- can yield overconfident posterior approximations, which makes them unreliable for scientific use cases and falsificationist inquiry. Failing to address this issue may reduce the range of applicability of simulation-based inference. For this reason, we argue that research efforts should be made towards theoretical and methodological developments of conservative approximate inference algorithms and present research directions towards this objective. In this regard, we show empirical evidence that ensembling posterior surrogates provides more reliable approximations and mitigates the issue.

A flow control system is a critical concept for increasing the production capacity of manufacturing systems. To solve the scheduling optimization problem related to the flow control with the aim of improving productivity, existing methods depend on a heuristic design by domain human experts. Therefore, the methods require correction, monitoring, and verification by using real equipment. As system designs increase in complexity, the monitoring time increases, which decreases the probability of arriving at the optimal design. As an alternative approach to the heuristic design of flow control systems, the use of deep reinforcement learning to solve the scheduling optimization problem has been considered. Although the existing research on reinforcement learning has yielded excellent performance in some areas, the applicability of the results to actual FAB such as display and semiconductor manufacturing processes is not evident so far. To this end, we propose a method to implement a physical simulation environment and devise a feasible flow control system design using a transfer robot in display manufacturing through reinforcement learning. We present a model and parameter setting to build a virtual environment for different display transfer robots, and training methods of reinforcement learning on the environment to obtain an optimal scheduling of glass flow control systems. Its feasibility was verified by using different types of robots used in the actual process.

Generative artificial intelligence (AI) systems open new possibilities for experimentation in literary studies via controlled, grounded, large-scale, low-cost simulations of cultural production. Current systems have not yet been shown to produce high-quality, book-length narrative texts that reliably reflect arbitrarily specified cultural constraints or stylistic features. But there exists substantial relevant research on each of the components required for literary-historical simulation. These include the use and validation of AI systems as proxies for differentiable human populations; the narrative and stylistic properties of AI-generated texts; the stability and coherence of multiagent, multiturn AI simulations of human actors; and technical methods through which to alter in predictable ways the knowledge and behavior of generative systems. Together, these areas could provide a starting point for more ambitious AI-based modeling of cultural systems of literary production. We describe the possibilities and challenges of simulation-based experiments in literary studies, summarize the current state of the art in relevant fields, and explain key technical aspects of the work. To provide an example directly relevant to literary scholars, we present the results of experiments on literary text generation, including comparisons to high-status, human-authored novels. Our results include the first demonstration of (limited) in-distribution outputs by AI models in this domain. We conclude with a description of future work on full counterfactual literary-historical simulations using AI.

Modeling the mechanics of fluid in complex scenes is vital to applications in design, graphics, and robotics. Learning-based methods provide fast and differentiable fluid simulators, however most prior work is unable to accurately model how fluids interact with genuinely novel surfaces not seen during training. We introduce SURFSUP, a framework that represents objects implicitly using signed distance functions (SDFs), rather than an explicit representation of meshes or particles. This continuous representation of geometry enables more accurate simulation of fluid-object interactions over long time periods while simultaneously making computation more efficient. Moreover, SURFSUP trained on simple shape primitives generalizes considerably out-of-distribution, even to complex real-world scenes and objects. Finally, we show we can invert our model to design simple objects to manipulate fluid flow.

We present MovingParts, a NeRF-based method for dynamic scene reconstruction and part discovery. We consider motion as an important cue for identifying parts, that all particles on the same part share the common motion pattern. From the perspective of fluid simulation, existing deformation-based methods for dynamic NeRF can be seen as parameterizing the scene motion under the Eulerian view, i.e., focusing on specific locations in space through which the fluid flows as time passes. However, it is intractable to extract the motion of constituting objects or parts using the Eulerian view representation. In this work, we introduce the dual Lagrangian view and enforce representations under the Eulerian/Lagrangian views to be cycle-consistent. Under the Lagrangian view, we parameterize the scene motion by tracking the trajectory of particles on objects. The Lagrangian view makes it convenient to discover parts by factorizing the scene motion as a composition of part-level rigid motions. Experimentally, our method can achieve fast and high-quality dynamic scene reconstruction from even a single moving camera, and the induced part-based representation allows direct applications of part tracking, animation, 3D scene editing, etc.

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

Parameter inference, i.e. inferring the posterior distribution of the parameters of a statistical model given some data, is a central problem to many scientific disciplines. Generative models can be used as an alternative to Markov Chain Monte Carlo methods for conducting posterior inference, both in likelihood-based and simulation-based problems. However, assessing the accuracy of posteriors encoded in generative models is not straightforward. In this paper, we introduce `Tests of Accuracy with Random Points' (TARP) coverage testing as a method to estimate coverage probabilities of generative posterior estimators. Our method differs from previously-existing coverage-based methods, which require posterior evaluations. We prove that our approach is necessary and sufficient to show that a posterior estimator is accurate. We demonstrate the method on a variety of synthetic examples, and show that TARP can be used to test the results of posterior inference analyses in high-dimensional spaces. We also show that our method can detect inaccurate inferences in cases where existing methods fail.

The precision, stability, and performance of lightweight high-strength steel structures in heavy machinery is affected by their highly nonlinear dynamics. This, in turn, makes control more difficult, simulation more computationally intensive, and achieving real-time autonomy, using standard approaches, impossible. Machine learning through data-driven, physics-informed and physics-inspired networks, however, promises more computationally efficient and accurate solutions to nonlinear dynamic problems. This study proposes a novel framework that has been developed to estimate real-time structural deflection in hydraulically actuated three-dimensional systems. It is based on SLIDE, a machine-learning-based method to estimate dynamic responses of mechanical systems subjected to forced excitations.~Further, an algorithm is introduced for the data acquisition from a hydraulically actuated system using randomized initial configurations and hydraulic pressures.~The new framework was tested on a hydraulically actuated flexible boom with various sensor combinations and lifting various payloads. The neural network was successfully trained in less time using standard parameters from PyTorch, ADAM optimizer, the various sensor inputs, and minimal output data. The SLIDE-trained neural network accelerated deflection estimation solutions by a factor of 10^7 in reference to flexible multibody simulation batches and provided reasonable accuracy. These results support the studies goal of providing robust, real-time solutions for control, robotic manipulators, structural health monitoring, and automation problems.

An avenue for understanding cosmological galaxy formation is to compare morphometric parameters in observations and simulations of galaxy assembly. In this second paper of the ASymba: Asymmetries of HI in SIMBA Galaxies series, we measure atomic gas HI asymmetries in spatially-resolved detections from the untargetted WALLABY survey, and compare them to realizations of WALLABY-like mock samples from the SIMBA cosmological simulations. We develop a Scanline Tracing method to create mock galaxy HI datacubes which minimizes shot noise along the spectral dimension compared to particle-based methods, and therefore spurious asymmetry contributions. We compute 1D and 3D asymmetries for spatially-resolved WALLABY Pilot Survey detections, and find that the highest 3D asymmetries A3D>0.5 stem from interacting systems or detections with strong bridges or tails. We then construct a series of WALLABY-like mock realizations drawn from the SIMBA 50 Mpc simulation volume, and compare their asymmetry distributions. We find that the incidence of high A3D detections is higher in WALLABY than in the SIMBA mocks, but that difference is not statistically significant (p-value = 0.05). The statistical power of quantitative comparisons of asymmetries such as the one presented here will improve as the WALLABY survey progresses, and as simulation volumes and resolutions increase.

We present GS-ProCams, the first Gaussian Splatting-based framework for projector-camera systems (ProCams). GS-ProCams is not only view-agnostic but also significantly enhances the efficiency of projection mapping (PM) that requires establishing geometric and radiometric mappings between the projector and the camera. Previous CNN-based ProCams are constrained to a specific viewpoint, limiting their applicability to novel perspectives. In contrast, NeRF-based ProCams support view-agnostic projection mapping, however, they require an additional co-located light source and demand significant computational and memory resources. To address this issue, we propose GS-ProCams that employs 2D Gaussian for scene representations, and enables efficient view-agnostic ProCams applications. In particular, we explicitly model the complex geometric and photometric mappings of ProCams using projector responses, the projection surface's geometry and materials represented by Gaussians, and the global illumination component. Then, we employ differentiable physically-based rendering to jointly estimate them from captured multi-view projections. Compared to state-of-the-art NeRF-based methods, our GS-ProCams eliminates the need for additional devices, achieving superior ProCams simulation quality. It also uses only 1/10 of the GPU memory for training and is 900 times faster in inference speed. Please refer to our project page for the code and dataset: https://realqingyue.github.io/GS-ProCams/.

Visual Odometry (VO) is crucial for autonomous robotic navigation, especially in GPS-denied environments like planetary terrains. While standard RGB cameras struggle in low-light or high-speed motion, event-based cameras offer high dynamic range and low latency. However, seamlessly integrating asynchronous event data with synchronous frames remains challenging. We introduce RAMP-VO, the first end-to-end learned event- and image-based VO system. It leverages novel Recurrent, Asynchronous, and Massively Parallel (RAMP) encoders that are 8x faster and 20% more accurate than existing asynchronous encoders. RAMP-VO further employs a novel pose forecasting technique to predict future poses for initialization. Despite being trained only in simulation, RAMP-VO outperforms image- and event-based methods by 52% and 20%, respectively, on traditional, real-world benchmarks as well as newly introduced Apollo and Malapert landing sequences, paving the way for robust and asynchronous VO in space.

The prediction-based nonlinear reference governor (PRG) is an add-on algorithm to enforce constraints on pre-stabilized nonlinear systems by modifying, whenever necessary, the reference signal. The implementation of PRG carries a heavy computational burden, as it may require multiple numerical simulations of the plant model at each sample time. To this end, this paper proposes an alternative approach based on machine learning, where we first use a regression neural network (NN) to approximate the input-output map of the PRG from a set of training data. During the real-time operation, at each sample time, we use the trained NN to compute a nominal reference command, which may not be constraint admissible due to training errors and limited data. We adopt a novel sensitivity-based approach to minimally adjust the nominal reference while ensuring constraint enforcement. We thus refer to the resulting control strategy as the modified neural network reference governor (MNN-RG), which is significantly more computationally efficient than the PRG. The computational and theoretical properties of MNN-RG are presented. Finally, the effectiveness and limitations of the proposed method are studied by applying it as a load governor for constraint management in automotive fuel cell systems through simulation-based case studies.

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.

Bimanual manipulation is critical to many robotics applications. In contrast to single-arm manipulation, bimanual manipulation tasks are challenging due to higher-dimensional action spaces. Prior works leverage large amounts of data and primitive actions to address this problem, but may suffer from sample inefficiency and limited generalization across various tasks. To this end, we propose VoxAct-B, a language-conditioned, voxel-based method that leverages Vision Language Models (VLMs) to prioritize key regions within the scene and reconstruct a voxel grid. We provide this voxel grid to our bimanual manipulation policy to learn acting and stabilizing actions. This approach enables more efficient policy learning from voxels and is generalizable to different tasks. In simulation, we show that VoxAct-B outperforms strong baselines on fine-grained bimanual manipulation tasks. Furthermore, we demonstrate VoxAct-B on real-world Open Drawer and Open Jar tasks using two UR5s. Code, data, and videos are available at https://voxact-b.github.io.

Quantum simulation of many-body systems in materials science and chemistry are promising application areas for quantum computers. However, the limited scale and coherence of near-term quantum processors pose a significant obstacle to realizing this potential. Here, we theoretically outline how a single-circuit quantum electrodynamics (cQED) device, consisting of a transmon qubit coupled to a long-lived cavity mode, can be used to simulate the ground state of a highly-entangled quantum many-body spin chain. We exploit recently developed methods for implementing quantum operations to sequentially build up a matrix product state (MPS) representation of a many-body state. This approach re-uses the transmon qubit to read out the state of each spin in the chain and exploits the large state space of the cavity as a quantum memory encoding inter-site correlations and entanglement. We show, through simulation, that analog (pulse-level) control schemes can accurately prepare a known MPS representation of a quantum critical spin chain in significantly less time than digital (gate-based) methods, thereby reducing the exposure to decoherence. We then explore this analog-control approach for the variational preparation of an unknown ground state. We demonstrate that the large state space of the cavity can be used to replace multiple qubits in a qubit-only architecture, and could therefore simplify the design of quantum processors for materials simulation. We explore the practical limitations of realistic noise and decoherence and discuss avenues for scaling this approach to more complex problems that challenge classical computational methods.

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).

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

The development of reliable and extensible molecular mechanics (MM) force fields -- fast, empirical models characterizing the potential energy surface of molecular systems -- is indispensable for biomolecular simulation and computer-aided drug design. Here, we introduce a generalized and extensible machine-learned MM force field, espaloma-0.3, and an end-to-end differentiable framework using graph neural networks to overcome the limitations of traditional rule-based methods. Trained in a single GPU-day to fit a large and diverse quantum chemical dataset of over 1.1M energy and force calculations, espaloma-0.3 reproduces quantum chemical energetic properties of chemical domains highly relevant to drug discovery, including small molecules, peptides, and nucleic acids. Moreover, this force field maintains the quantum chemical energy-minimized geometries of small molecules and preserves the condensed phase properties of peptides, self-consistently parametrizing proteins and ligands to produce stable simulations leading to highly accurate predictions of binding free energies. This methodology demonstrates significant promise as a path forward for systematically building more accurate force fields that are easily extensible to new chemical domains of interest.

We provide the first method allowing to retrieve spaceborne SIF maps at 30 m ground resolution with a strong correlation (r^2=0.6) to high-quality airborne estimates of sun-induced fluorescence (SIF). SIF estimates can provide explanatory information for many tasks related to agricultural management and physiological studies. While SIF products from airborne platforms are accurate and spatially well resolved, the data acquisition of such products remains science-oriented and limited to temporally constrained campaigns. Spaceborne SIF products on the other hand are available globally with often sufficient revisit times. However, the spatial resolution of spaceborne SIF products is too small for agricultural applications. In view of ESA's upcoming FLEX mission we develop a method for SIF retrieval in the O_2-A band of hyperspectral DESIS imagery to provide first insights for spaceborne SIF retrieval at high spatial resolution. To this end, we train a simulation-based self-supervised network with a novel perturbation based regularizer and test performance improvements under additional supervised regularization of atmospheric variable prediction. In a validation study with corresponding HyPlant derived SIF estimates at 740 nm we find that our model reaches a mean absolute difference of 0.78 mW / nm / sr / m^2.

Large-scale articulated objects with high quality are desperately needed for multiple tasks related to embodied AI. Most existing methods for creating articulated objects are either data-driven or simulation based, which are limited by the scale and quality of the training data or the fidelity and heavy labour of the simulation. In this paper, we propose Infinite Mobility, a novel method for synthesizing high-fidelity articulated objects through procedural generation. User study and quantitative evaluation demonstrate that our method can produce results that excel current state-of-the-art methods and are comparable to human-annotated datasets in both physics property and mesh quality. Furthermore, we show that our synthetic data can be used as training data for generative models, enabling next-step scaling up. Code is available at https://github.com/Intern-Nexus/Infinite-Mobility

We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.

In-hand manipulation of pen-like objects is an important skill in our daily lives, as many tools such as hammers and screwdrivers are similarly shaped. However, current learning-based methods struggle with this task due to a lack of high-quality demonstrations and the significant gap between simulation and the real world. In this work, we push the boundaries of learning-based in-hand manipulation systems by demonstrating the capability to spin pen-like objects. We first use reinforcement learning to train an oracle policy with privileged information and generate a high-fidelity trajectory dataset in simulation. This serves two purposes: 1) pre-training a sensorimotor policy in simulation; 2) conducting open-loop trajectory replay in the real world. We then fine-tune the sensorimotor policy using these real-world trajectories to adapt it to the real world dynamics. With less than 50 trajectories, our policy learns to rotate more than ten pen-like objects with different physical properties for multiple revolutions. We present a comprehensive analysis of our design choices and share the lessons learned during development.

Deploying learned robot manipulation policies in industrial settings requires rigorous pre-deployment validation, yet exhaustive testing across high-dimensional parameter spaces is intractable. We present ROBOGATE, a deployment risk management framework that combines physics-based simulation with a two-stage adaptive sampling strategy to efficiently discover failure boundaries in the operational parameter space. Stage 1 employs Latin Hypercube Sampling (LHS) across an 8-dimensional parameter space to establish a coarse failure landscape from 20,000 uniformly distributed experiments. Stage 2 applies boundary-focused sampling that concentrates 10,000 additional experiments in the 30-70% success rate transition zone, enabling precise failure boundary mapping. Using NVIDIA Isaac Sim with Newton physics, we evaluate a scripted pick-and-place controller on two robot embodiments -- Franka Panda (7-DOF) and UR5e (6-DOF) -- across 30,000 total experiments. Our logistic regression risk model achieves an AUC of 0.780 on the combined dataset (vs. 0.754 for Stage 1 alone), identifies a closed-form failure boundary equation, and reveals four universal danger zones affecting both robot platforms. We further demonstrate the framework on VLA (Vision-Language-Action) model evaluation, where Octo-Small achieves 0.0% success rate on 68 adversarial scenarios versus 100% for the scripted baseline -- a 100-point gap that underscores the challenge of deploying foundation models in industrial settings. ROBOGATE is open-source and runs on a single GPU workstation.

Enabling robots to autonomously navigate complex environments is essential for real-world deployment. Prior methods approach this problem by having the robot maintain an internal map of the world, and then use a localization and planning method to navigate through the internal map. However, these approaches often include a variety of assumptions, are computationally intensive, and do not learn from failures. In contrast, learning-based methods improve as the robot acts in the environment, but are difficult to deploy in the real-world due to their high sample complexity. To address the need to learn complex policies with few samples, we propose a generalized computation graph that subsumes value-based model-free methods and model-based methods, with specific instantiations interpolating between model-free and model-based. We then instantiate this graph to form a navigation model that learns from raw images and is sample efficient. Our simulated car experiments explore the design decisions of our navigation model, and show our approach outperforms single-step and N-step double Q-learning. We also evaluate our approach on a real-world RC car and show it can learn to navigate through a complex indoor environment with a few hours of fully autonomous, self-supervised training. Videos of the experiments and code can be found at github.com/gkahn13/gcg

Machine learning has emerged as a powerful solution to the modern challenges in accelerator physics. However, the limited availability of beam time, the computational cost of simulations, and the high-dimensionality of optimisation problems pose significant challenges in generating the required data for training state-of-the-art machine learning models. In this work, we introduce Cheetah, a PyTorch-based high-speed differentiable linear-beam dynamics code. Cheetah enables the fast collection of large data sets by reducing computation times by multiple orders of magnitude and facilitates efficient gradient-based optimisation for accelerator tuning and system identification. This positions Cheetah as a user-friendly, readily extensible tool that integrates seamlessly with widely adopted machine learning tools. We showcase the utility of Cheetah through five examples, including reinforcement learning training, gradient-based beamline tuning, gradient-based system identification, physics-informed Bayesian optimisation priors, and modular neural network surrogate modelling of space charge effects. The use of such a high-speed differentiable simulation code will simplify the development of machine learning-based methods for particle accelerators and fast-track their integration into everyday operations of accelerator facilities.

End-to-end (E2E) autonomous driving presents a promising approach for translating perceptual inputs directly into driving actions. However, prohibitive annotation costs and temporal data quality degradation hinder long-term real-world deployment. While combining imitation learning (IL) and reinforcement learning (RL) is a common strategy for policy improvement, conventional RL training relies on delayed, event-based rewards-policies learn only from catastrophic outcomes such as collisions, leading to premature convergence to suboptimal behaviors. To address these limitations, we introduce GSDrive, a framework that exploits 3D Gaussian Splatting (3DGS) for differentiable, physics-based reward shaping in E2E driving policy improvement. Our method incorporates a flow matching-based trajectory predictor within the 3DGS simulator, enabling multi-mode trajectory probing where candidate trajectories are rolled out to assess prospective rewards. This establishes a bidirectional knowledge exchange between IL and RL by grounding reward functions in physically simulated interaction signals, offering immediate dense feedback instead of sparse catastrophic events. Evaluated on the reconstructed nuScenes dataset, our method surpasses existing simulation-based RL driving approaches in closed-loop experiments. Code is available at https://github.com/ZionGo6/GSDrive.

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for training CNFs based on regressing vector fields of fixed conditional probability paths. Flow Matching is compatible with a general family of Gaussian probability paths for transforming between noise and data samples -- which subsumes existing diffusion paths as specific instances. Interestingly, we find that employing FM with diffusion paths results in a more robust and stable alternative for training diffusion models. Furthermore, Flow Matching opens the door to training CNFs with other, non-diffusion probability paths. An instance of particular interest is using Optimal Transport (OT) displacement interpolation to define the conditional probability paths. These paths are more efficient than diffusion paths, provide faster training and sampling, and result in better generalization. Training CNFs using Flow Matching on ImageNet leads to consistently better performance than alternative diffusion-based methods in terms of both likelihood and sample quality, and allows fast and reliable sample generation using off-the-shelf numerical ODE solvers.

Large language model (LLM)-based coding assistants have made substantial progress, yet most systems remain reactive, requiring developers to explicitly formulate their needs. Proactive coding assistants aim to infer latent developer intent from integrated development environment (IDE) interactions and repository context, thereby reducing interaction overhead and supporting more seamless assistance. However, research in this direction is limited by the scarcity of large-scale real-world developer behavior data. Existing studies therefore often rely on LLM-simulated IDE traces, whose fidelity to real development behavior remains unclear. In this paper, we investigate this simulation-to-reality gap through a large-scale empirical study. We collect real IDE interaction traces from 1{,}246 experienced industry developers over three consecutive days using a custom Visual Studio Code extension, and construct paired LLM-simulated traces for controlled comparison. Our analysis shows that simulated traces differ substantially from real traces in behavioral diversity, temporal structure, and exploratory patterns. Based on the collected data, we introduce ProCodeBench, a real-world benchmark for proactive intent prediction. Experiments with representative LLMs, retrieval-augmented methods, and agentic baselines show that current approaches remain far from reliable under real IDE traces, suggesting that simulation-based evaluation can overestimate real-world performance. Finally, our training study shows that simulated data cannot replace real data, but can complement it when used before real-world fine-tuning. These findings highlight the importance of real developer behavior data for evaluating and training proactive coding assistants.

Reactive and safe agent modelings are important for nowadays traffic simulator designs and safe planning applications. In this work, we proposed a reactive agent model which can ensure safety without comprising the original purposes, by learning only high-level decisions from expert data and a low-level decentralized controller guided by the jointly learned decentralized barrier certificates. Empirical results show that our learned road user simulation models can achieve a significant improvement in safety comparing to state-of-the-art imitation learning and pure control-based methods, while being similar to human agents by having smaller errors to the expert data. Moreover, our learned reactive agents are shown to generalize better to unseen traffic conditions, and react better to other road users and therefore can help understand challenging planning problems pragmatically.

According to the Test-Time Scaling, the integration of External Slow-Thinking with the Verify mechanism has been demonstrated to enhance multi-round reasoning in large language models (LLMs). However, in the multimodal (MM) domain, there is still a lack of a strong MM-Verifier. In this paper, we introduce MM-Verifier and MM-Reasoner to enhance multimodal reasoning through longer inference and more robust verification. First, we propose a two-step MM verification data synthesis method, which combines a simulation-based tree search with verification and uses rejection sampling to generate high-quality Chain-of-Thought (COT) data. This data is then used to fine-tune the verification model, MM-Verifier. Additionally, we present a more efficient method for synthesizing MMCOT data, bridging the gap between text-based and multimodal reasoning. The synthesized data is used to fine-tune MM-Reasoner. Our MM-Verifier outperforms all larger models on the MathCheck, MathVista, and MathVerse benchmarks. Moreover, MM-Reasoner demonstrates strong effectiveness and scalability, with performance improving as data size increases. Finally, our approach achieves strong performance when combining MM-Reasoner and MM-Verifier, reaching an accuracy of 65.3 on MathVista, surpassing GPT-4o (63.8) with 12 rollouts.

In the context of imitation learning, visuomotor-based diffusion policy learning is one of the main directions in robotic manipulation. Most of these approaches rely on point clouds as observation inputs and construct scene representations through point clouds feature learning, which enables them to achieve remarkable accuracy. However, the existing literature lacks an in-depth exploration of vision-only solutions that have significant potential. In this paper, we propose a Vision-Only and single-view Diffusion Policy learning method (VO-DP) that leverages pretrained visual foundation models to achieve effective fusion of semantic and geometric features. We utilize intermediate features from VGGT incorporating semantic features from DINOv2 and geometric features from Alternating Attention blocks. Features are fused via cross-attention and spatially compressed with a CNN to form the input to the policy head. Extensive experiments demonstrate that VO-DP not only outperforms the vision-only baseline DP significantly but also exhibits distinct performance trends against the point cloud-based method DP3: in simulation tasks, VO-DP achieves an average success rate of 64.6% on par with DP3 64.0% and far higher than DP 34.8%, while in real-world tasks, it reaches 87.9%, outperforming both DP3 67.5% and DP 11.2% by a notable margin. Further robustness evaluations confirm that VO-DP remains highly stable under varying conditions including color, size, background, and lighting. Lastly, we open-source a training library for robotic manipulation. Built on Accelerate, this library supports multi-machine and multi-GPU parallel training, as well as mixed precision training. It is compatible with visuomotor policies such as DP, DP3 and VO-DP, and also supports the RoboTwin simulator.

In this paper we propose a highly efficient and very accurate deep learning method for estimating the propagation pathloss from a point x (transmitter location) to any point y on a planar domain. For applications such as user-cell site association and device-to-device link scheduling, an accurate knowledge of the pathloss function for all pairs of transmitter-receiver locations is very important. Commonly used statistical models approximate the pathloss as a decaying function of the distance between transmitter and receiver. However, in realistic propagation environments characterized by the presence of buildings, street canyons, and objects at different heights, such radial-symmetric functions yield very misleading results. In this paper we show that properly designed and trained deep neural networks are able to learn how to estimate the pathloss function, given an urban environment, in a very accurate and computationally efficient manner. Our proposed method, termed RadioUNet, learns from a physical simulation dataset, and generates pathloss estimations that are very close to the simulations, but are much faster to compute for real-time applications. Moreover, we propose methods for transferring what was learned from simulations to real-life. Numerical results show that our method significantly outperforms previously proposed methods.

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

Unmanned Aerial Vehicle (UAV) swarms offer versatile applications in logistics, agriculture, and surveillance, yet controlling them requires expert knowledge for safety and feasibility. Traditional static methods limit adaptability, while Large Language Models (LLMs) enable natural language control but generate unsafe trajectories due to lacking physical grounding. This paper introduces SkySim, a ROS2-based simulation framework in Gazebo that decouples LLM high-level planning from low-level safety enforcement. Using Gemini 3.5 Pro, SkySim translates user commands (e.g., "Form a circle") into spatial waypoints, informed by real-time drone states. An Artificial Potential Field (APF) safety filter applies minimal adjustments for collision avoidance, kinematic limits, and geo-fencing, ensuring feasible execution at 20 Hz. Experiments with swarms of 3, 10, and 30 Crazyflie drones validate spatial reasoning accuracy (100% across tested geometric primitives), real-time collision prevention, and scalability. SkySim empowers non-experts to iteratively refine behaviors, bridging AI cognition with robotic safety for dynamic environments. Future work targets hardware integration.

Causal Discovery plays a pivotal role in revealing relationships among observed variables, particularly in the temporal setup. While the majority of CD methods rely on synthetic data for evaluation, and recently for training, these fall short in accurately mirroring real-world scenarios; an effect even more evident in temporal data. Generation techniques depending on simplified assumptions on causal structure, effects and time, limit the quality and diversity of the simulated data. In this work, we introduce Temporal Causal-based Simulation (TCS), a robust framework for generating realistic time-series data and their associated temporal causal graphs. The approach is structured in three phases: estimating the true lagged causal structure of the data, approximating the functional dependencies between variables and learning the noise distribution of the corresponding causal model, each part of which can be explicitly tailored based on data assumptions and characteristics. Through an extensive evaluation process, we highlight that single detection methods for generated data discrimination prove inadequate, accentuating it as a multifaceted challenge. For this, we detail a Min-max optimization phase that draws on AutoML techniques. Our contributions include a flexible, model-agnostic pipeline for generating realistic temporal causal data, a thorough evaluation setup which enhances the validity of the generated datasets and insights into the challenges posed by realistic data generation. Through experiments involving not only real but also semi-synthetic and purely synthetic datasets, we demonstrate that while sampling realistic causal data remains a complex task, our method enriches the domain of generating sensible causal-based temporal data.

Supervised synthetic CT generation from CBCT requires registered training pairs, yet perfect registration between separately acquired scans remains unattainable. This registration bias propagates into trained models and corrupts standard evaluation metrics. This may suggest that superior benchmark performance indicates better reproduction of registration artifacts rather than anatomical fidelity. We propose physics-based CBCT simulation to provide geometrically aligned training pairs by construction, combined with evaluation using geometric alignment metrics against input CBCT rather than biased ground truth. On two independent pelvic datasets, models trained on synthetic data achieved superior geometric alignment (Normalized Mutual Information: 0.31 vs 0.22) despite lower conventional intensity scores. Intensity metrics showed inverted correlations with clinical assessment for deformably registered data, while Normalized Mutual Information consistently predicted observer preference across registration methodologies (rho = 0.31, p < 0.001). Clinical observers preferred synthetic-trained outputs in 87% of cases, demonstrating that geometric fidelity, not intensity agreement with biased ground truth, aligns with clinical requirements.

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.

State-of-art NPUs are typically architected as a self-contained sub-system with multiple heterogeneous hardware computing modules, and a dataflow-driven programming model. There lacks well-established methodology and tools in the industry to evaluate and compare the performance of NPUs from different architectures. We present an event-based performance modeling framework, VPU-EM, targeting scalable performance evaluation of modern NPUs across diversified AI workloads. The framework adopts high-level event-based system-simulation methodology to abstract away design details for speed, while maintaining hardware pipelining, concurrency and interaction with software task scheduling. It is natively developed in Python and built to interface directly with AI frameworks such as Tensorflow, PyTorch, ONNX and OpenVINO, linking various in-house NPU graph compilers to achieve optimized full model performance. Furthermore, VPU-EM also provides the capability to model power characteristics of NPU in Power-EM mode to enable joint performance/power analysis. Using VPU-EM, we conduct performance/power analysis of models from representative neural network architecture. We demonstrate that even though this framework is developed for Intel VPU, an Intel in-house NPU IP technology, the methodology can be generalized for analysis of modern NPUs.

Using offline datasets to evaluate conversational agents often fails to cover rare scenarios or to support testing new policies. This has motivated the use of controllable user simulators for targeted, counterfactual evaluation, typically implemented by prompting or fine-tuning large language models. In this work, we formalize controllable simulation as a causal inference problem. By bridging natural language evaluation with off-policy evaluation methodology, we show that the standard practice of training simulators via supervised fine-tuning on post-hoc trajectory labels yields a structurally biased model. Specifically, these labels are inextricably coupled to the data-generating behavior policy, injecting a look-ahead bias that breaks causal consistency. Furthermore, we prove that under policy shift this failure causes the variance of evaluation metrics to explode geometrically, a phenomenon we term controllability collapse. To restore causal consistency, we establish theoretical conditions for accurate simulation and propose practical training mitigations: a priori controls, step-wise dynamic controls, and direct policy-conditioned learning. Empirical evaluation confirms that while standard global controls distort conversational distributions and collapse behavioral diversity, our causally grounded simulators eliminate look-ahead bias, preserve natural variance, and exhibit robust zero-shot generalization to unseen agent behaviors.

Generating realistic animated videos from static images is an important area of research in computer vision. Methods based on physical simulation and motion prediction have achieved notable advances, but they are often limited to specific object textures and motion trajectories, failing to exhibit highly complex environments and physical dynamics. In this paper, we introduce an open-domain controllable image animation method using motion priors with video diffusion models. Our method achieves precise control over the direction and speed of motion in the movable region by extracting the motion field information from videos and learning moving trajectories and strengths. Current pretrained video generation models are typically limited to producing very short videos, typically less than 30 frames. In contrast, we propose an efficient long-duration video generation method based on noise reschedule specifically tailored for image animation tasks, facilitating the creation of videos over 100 frames in length while maintaining consistency in content scenery and motion coordination. Specifically, we decompose the denoise process into two distinct phases: the shaping of scene contours and the refining of motion details. Then we reschedule the noise to control the generated frame sequences maintaining long-distance noise correlation. We conducted extensive experiments with 10 baselines, encompassing both commercial tools and academic methodologies, which demonstrate the superiority of our method. Our project page: https://wangqiang9.github.io/Controllable.github.io/

Leveraging future observation modeling to facilitate action generation presents a promising avenue for enhancing the capabilities of Vision-Language-Action (VLA) models. However, existing approaches struggle to strike a balance between maintaining efficient, predictable future representations and preserving sufficient fine-grained information to guide precise action generation. To address this limitation, we propose WoG (World Guidance), a framework that maps future observations into compact conditions by injecting them into the action inference pipeline. The VLA is then trained to simultaneously predict these compressed conditions alongside future actions, thereby achieving effective world modeling within the condition space for action inference. We demonstrate that modeling and predicting this condition space not only facilitates fine-grained action generation but also exhibits superior generalization capabilities. Moreover, it learns effectively from substantial human manipulation videos. Extensive experiments across both simulation and real-world environments validate that our method significantly outperforms existing methods based on future prediction. Project page is available at: https://selen-suyue.github.io/WoGNet/

CPU performance prediction, which involves forecasting the performance scores of a CPU based on its hardware characteristics during its operation, is a critical technology for computational system design and resource management in the big data era. However, this research field currently faces two significant challenges. First, collecting real-world data is challenging due to the wide variety of CPU products on the market and the highly specialized nature of relevant hardware characteristics. In the research process, this field lacks a standard dataset with unified hardware characteristics, wide data coverage, and comprehensive benchmarks. Second, existing methods based on hardware simulation models or machine learning exhibit notable shortcomings, such as lengthy simulation test cycles and low prediction accuracy. To bridge these gaps, we first collect, preprocess, and standardize historical data from the 4th Generation Intel Xeon Scalable Processors across multiple benchmark suites to create a new dataset, named PerfCastDB. Subsequently, we design a deep learning based model called Nova CPU Performance Predictor (NCPP) as the baseline for this new dataset. The NCPP network is designed based on group attention mechanism. It effectively quantifies the implicit relationships between hardware characteristics within and across groups and comprehensively models the impact of various hardware characteristics on CPU performance prediction. We conduct comparative experiments using the proposed PerfCastDB dataset. Compared to existing approaches, NCPP achieves superior evaluation results, demonstrating its effectiveness. Furthermore, we have open-sourced part of the dataset and the NCPP network code to facilitate subsequent research. The resources can be accessed at https://github.com/xiaoman-liu/NCPP.

Autonomous driving has seen significant progress, driven by extensive real-world data. However, in long-tail scenarios, accurately predicting the safety of the ego vehicle's future motion remains a major challenge due to uncertainties in dynamic environments and limitations in data coverage. In this work, we aim to explore whether it is possible to enhance the motion risk prediction capabilities of Vision-Language Models (VLM) by synthesizing high-risk motion data. Specifically, we introduce a Bird's-Eye View (BEV) based motion simulation method to model risks from three aspects: the ego-vehicle, other vehicles, and the environment. This allows us to synthesize plug-and-play, high-risk motion data suitable for VLM training, which we call DriveMRP-10K. Furthermore, we design a VLM-agnostic motion risk estimation framework, named DriveMRP-Agent. This framework incorporates a novel information injection strategy for global context, ego-vehicle perspective, and trajectory projection, enabling VLMs to effectively reason about the spatial relationships between motion waypoints and the environment. Extensive experiments demonstrate that by fine-tuning with DriveMRP-10K, our DriveMRP-Agent framework can significantly improve the motion risk prediction performance of multiple VLM baselines, with the accident recognition accuracy soaring from 27.13% to 88.03%. Moreover, when tested via zero-shot evaluation on an in-house real-world high-risk motion dataset, DriveMRP-Agent achieves a significant performance leap, boosting the accuracy from base_model's 29.42% to 68.50%, which showcases the strong generalization capabilities of our method in real-world scenarios.

Tactile feedback is critical for understanding the dynamics of both rigid and deformable objects in many manipulation tasks, such as non-prehensile manipulation and dense packing. We introduce an approach that combines visual and tactile sensing for robotic manipulation by learning a neural, tactile-informed dynamics model. Our proposed framework, RoboPack, employs a recurrent graph neural network to estimate object states, including particles and object-level latent physics information, from historical visuo-tactile observations and to perform future state predictions. Our tactile-informed dynamics model, learned from real-world data, can solve downstream robotics tasks with model-predictive control. We demonstrate our approach on a real robot equipped with a compliant Soft-Bubble tactile sensor on non-prehensile manipulation and dense packing tasks, where the robot must infer the physics properties of objects from direct and indirect interactions. Trained on only an average of 30 minutes of real-world interaction data per task, our model can perform online adaptation and make touch-informed predictions. Through extensive evaluations in both long-horizon dynamics prediction and real-world manipulation, our method demonstrates superior effectiveness compared to previous learning-based and physics-based simulation systems.

Generative Artificial Intelligence (AI) has rapidly advanced the field of computer vision by enabling machines to create and interpret visual data with unprecedented sophistication. This transformation builds upon a foundation of generative models to produce realistic images, videos, and 3D/4D content. Conventional generative models primarily focus on visual fidelity while often neglecting the physical plausibility of the generated content. This gap limits their effectiveness in applications that require adherence to real-world physical laws, such as robotics, autonomous systems, and scientific simulations. As generative models evolve to increasingly integrate physical realism and dynamic simulation, their potential to function as "world simulators" expands. Therefore, the field of physics-aware generation in computer vision is rapidly growing, calling for a comprehensive survey to provide a structured analysis of current efforts. To serve this purpose, the survey presents a systematic review, categorizing methods based on how they incorporate physical knowledge, either through explicit simulation or implicit learning. It also analyzes key paradigms, discusses evaluation protocols, and identifies future research directions. By offering a comprehensive overview, this survey aims to help future developments in physically grounded generation for computer vision. The reviewed papers are summarized at https://tinyurl.com/Physics-Aware-Generation.

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.

Role-playing language agents (RPLAs) have emerged as promising applications of large language models (LLMs). However, simulating established characters presents a challenging task for RPLAs, due to the lack of authentic character datasets and nuanced evaluation methods using such data. In this paper, we present CoSER, a collection of a high-quality dataset, open models, and an evaluation protocol towards effective RPLAs of established characters. The CoSER dataset covers 17,966 characters from 771 renowned books. It provides authentic dialogues with real-world intricacies, as well as diverse data types such as conversation setups, character experiences and internal thoughts. Drawing from acting methodology, we introduce given-circumstance acting for training and evaluating role-playing LLMs, where LLMs sequentially portray multiple characters in book scenes. Using our dataset, we develop CoSER 8B and CoSER 70B, i.e., advanced open role-playing LLMs built on LLaMA-3.1 models. Extensive experiments demonstrate the value of the CoSER dataset for RPLA training, evaluation and retrieval. Moreover, CoSER 70B exhibits state-of-the-art performance surpassing or matching GPT-4o on our evaluation and three existing benchmarks, i.e., achieving 75.80% and 93.47% accuracy on the InCharacter and LifeChoice benchmarks respectively.

Accurately modelling human attention is essential for numerous computer vision applications, particularly in the domain of automotive safety. Existing methods typically collapse gaze into saliency maps or scanpaths, treating gaze dynamics only implicitly. We instead formulate gaze modelling as an autoregressive dynamical system and explicitly unroll raw gaze trajectories over time, conditioned on both gaze history and the evolving environment. Driving scenes are represented as gaze-centric graphs processed by the Affinity Relation Transformer (ART), a heterogeneous graph transformer that models interactions between driver gaze, traffic objects, and road structure. We further introduce the Object Density Network (ODN) to predict next-step gaze distributions, capturing the stochastic and object-centric nature of attentional shifts in complex environments. We also release Focus100, a new dataset of raw gaze data from 30 participants viewing egocentric driving footage. Trained directly on raw gaze, without fixation filtering, our unified approach produces more natural gaze trajectories, scanpath dynamics, and saliency maps than existing attention models, offering valuable insights for the temporal modelling of human attention in dynamic environments.

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

We present a novel formulation for mesh-free, reduced-order simulation of deformable hyperelastic objects. Existing work in reduced-order elastodynamic simulation represents the input geometry by either meshes, which can be difficult to obtain due to challenges in scanning and triangulating complex shapes, or by neural fields that require per-shape optimization. We propose to adopt a Reproducing Kernel Particle Method (RKPM) representation, which enables the construction of reduced-order skinning weights by solving a generalized eigensystem on the Hessian matrix of the elastic energy. We demonstrate that this formulation not only leads to a 40x training speedup compared with the per-shape optimization of neural fields, but also achieves lower simulation error when evaluated against the converged results of finite element method. We show our simulation results on a wide variety of objects in different representations including meshes and Gaussian splats, as well as the application of our method in the downstream task of robot simulation.

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

The massive population election simulation aims to model the preferences of specific groups in particular election scenarios. It has garnered significant attention for its potential to forecast real-world social trends. Traditional agent-based modeling (ABM) methods are constrained by their ability to incorporate complex individual background information and provide interactive prediction results. In this paper, we introduce ElectionSim, an innovative election simulation framework based on large language models, designed to support accurate voter simulations and customized distributions, together with an interactive platform to dialogue with simulated voters. We present a million-level voter pool sampled from social media platforms to support accurate individual simulation. We also introduce PPE, a poll-based presidential election benchmark to assess the performance of our framework under the U.S. presidential election scenario. Through extensive experiments and analyses, we demonstrate the effectiveness and robustness of our framework in U.S. presidential election simulations.

Supervised open-loop training has been widely adopted for training traffic simulation models; however, it fails to capture the inherently dynamic, multi-agent interactions common in complex driving scenarios. We introduce RLFTSim, a reinforcement-learning-based fine-tuning framework that enhances scenario realism by aligning simulator rollouts with real-world data distributions and provides a method for distilling goal-conditioned controllability in scenario generation. We instantiate RLFTSim on top of a pre-trained simulation model, design a reward that balances fidelity and controllability, and perform comprehensive experiments on the Waymo Open Motion Dataset. Our results show improvements in realism, achieving state-of-the-art performance. Compared with other heuristic search-based fine-tuning methods, RLFTSim requires significantly fewer samples due to a proposed low-variance and dense reward signal, and it directly addresses the realism alignment issue by design. We also demonstrate the effectiveness of our approach for distilling traffic simulation controllability through goal conditioning. The project page is available at https://ehsan-ami.github.io/rlftsim.

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of materials using deep-learned generative and surrogate models. The long-standing issue of microstructure reconstruction is well addressed in this study using a new class of state-of-the-art generative model, the diffusion-based generative model (DGM). Moreover, the conditional formulation of DGM for guidance to the embedded desired material properties with a transformer-based attention mechanism enables the inverse design of multifunctional composites. A convolutional neural network (CNN)-based surrogate model is utilized to analyze the nonlinear material behavior to facilitate the prediction of material properties for building microstructure-property linkages. Combined, these generative and surrogate models enable large data processing and database construction that is often not affordable with resource-intensive finite element method (FEM)-based direct numerical simulation (DNS) and iterative reconstruction methods. An example case is presented to demonstrate the effectiveness of the proposed approach, which is designing mechanoluminescence (ML) particulate composites made of europium and dysprosium ions. The results show that the inversely-designed multiple ML microstructure candidates with the proposed generative and surrogate models meet the multiple design requirements (e.g., volume fraction, elastic constant, and light sensitivity). The evaluation of the generated samples' quality and the surrogate models' performance using appropriate metrics are also included. This assessment demonstrates that the proposed integrated methodology offers an end-to-end solution for practical material design applications.

Estimating physical properties for visual data is a crucial task in computer vision, graphics, and robotics, underpinning applications such as augmented reality, physical simulation, and robotic grasping. However, this area remains under-explored due to the inherent ambiguities in physical property estimation. To address these challenges, we introduce GaussianProperty, a training-free framework that assigns physical properties of materials to 3D Gaussians. Specifically, we integrate the segmentation capability of SAM with the recognition capability of GPT-4V(ision) to formulate a global-local physical property reasoning module for 2D images. Then we project the physical properties from multi-view 2D images to 3D Gaussians using a voting strategy. We demonstrate that 3D Gaussians with physical property annotations enable applications in physics-based dynamic simulation and robotic grasping. For physics-based dynamic simulation, we leverage the Material Point Method (MPM) for realistic dynamic simulation. For robot grasping, we develop a grasping force prediction strategy that estimates a safe force range required for object grasping based on the estimated physical properties. Extensive experiments on material segmentation, physics-based dynamic simulation, and robotic grasping validate the effectiveness of our proposed method, highlighting its crucial role in understanding physical properties from visual data. Online demo, code, more cases and annotated datasets are available on https://Gaussian-Property.github.io{this https URL}.

This paper presents a reinforcement learning-based quadrotor navigation method that leverages efficient differentiable simulation, novel loss functions, and privileged information to navigate around large obstacles. Prior learning-based methods perform well in scenes that exhibit narrow obstacles, but struggle when the goal location is blocked by large walls or terrain. In contrast, the proposed method utilizes time-of-arrival (ToA) maps as privileged information and a yaw alignment loss to guide the robot around large obstacles. The policy is evaluated in photo-realistic simulation environments containing large obstacles, sharp corners, and dead-ends. Our approach achieves an 86% success rate and outperforms baseline strategies by 34%. We deploy the policy onboard a custom quadrotor in outdoor cluttered environments both during the day and night. The policy is validated across 20 flights, covering 589 meters without collisions at speeds up to 4 m/s.

Painting embodies a unique form of visual storytelling, where the creation process is as significant as the final artwork. Although recent advances in generative models have enabled visually compelling painting synthesis, most existing methods focus solely on final image generation or patch-based process simulation, lacking explicit stroke structure and failing to produce smooth, realistic shading. In this work, we present a differentiable stroke reconstruction framework that unifies painting, stylized texturing, and smudging to faithfully reproduce the human painting-smudging loop. Given an input image, our framework first optimizes single- and dual-color Bezier strokes through a parallel differentiable paint renderer, followed by a style generation module that synthesizes geometry-conditioned textures across diverse painting styles. We further introduce a differentiable smudge operator to enable natural color blending and shading. Coupled with a coarse-to-fine optimization strategy, our method jointly optimizes stroke geometry, color, and texture under geometric and semantic guidance. Extensive experiments on oil, watercolor, ink, and digital paintings demonstrate that our approach produces realistic and expressive stroke reconstructions, smooth tonal transitions, and richly stylized appearances, offering a unified model for expressive digital painting creation. See our project page for more demos: https://yingjiang96.github.io/DiffPaintWebsite/.

Algorithmic decision-making has become deeply ingrained in many domains, yet biases in machine learning models can still produce discriminatory outcomes, often harming unprivileged groups. Achieving fair classification is inherently challenging, requiring a careful balance between predictive performance and ethical considerations. We present FairTTTS, a novel post-processing bias mitigation method inspired by the Tree Test Time Simulation (TTTS) method. Originally developed to enhance accuracy and robustness against adversarial inputs through probabilistic decision-path adjustments, TTTS serves as the foundation for FairTTTS. By building on this accuracy-enhancing technique, FairTTTS mitigates bias and improves predictive performance. FairTTTS uses a distance-based heuristic to adjust decisions at protected attribute nodes, ensuring fairness for unprivileged samples. This fairness-oriented adjustment occurs as a post-processing step, allowing FairTTTS to be applied to pre-trained models, diverse datasets, and various fairness metrics without retraining. Extensive evaluation on seven benchmark datasets shows that FairTTTS outperforms traditional methods in fairness improvement, achieving a 20.96% average increase over the baseline compared to 18.78% for related work, and further enhances accuracy by 0.55%. In contrast, competing methods typically reduce accuracy by 0.42%. These results confirm that FairTTTS effectively promotes more equitable decision-making while simultaneously improving predictive performance.

Diabetes is a chronic disorder identified by the high sugar level in the blood that can cause various different disorders such as kidney failure, heart attack, sightlessness, and stroke. Developments in the healthcare domain by facilitating the early detection of diabetes risk can help not only caregivers but also patients. AIoMT is a recent technology that integrates IoT and machine learning methods to give services for medical purposes, which is a powerful technology for the early detection of diabetes. In this paper, we take advantage of AIoMT and propose a hybrid diabetes risk detection method, DiabML, which uses the BWO algorithm and ML methods. BWO is utilized for feature selection and SMOTE for imbalance handling in the pre-processing procedure. The simulation results prove the superiority of the proposed DiabML method compared to the existing works. DiabML achieves 86.1\% classification accuracy by AdaBoost classifier outperforms the relevant existing methods.

The capability to transfer mastered skills to accomplish a range of similar yet novel tasks is crucial for intelligent robots. In this work, we introduce Diff-Transfer, a novel framework leveraging differentiable physics simulation to efficiently transfer robotic skills. Specifically, Diff-Transfer discovers a feasible path within the task space that brings the source task to the target task. At each pair of adjacent points along this task path, which is two sub-tasks, Diff-Transfer adapts known actions from one sub-task to tackle the other sub-task successfully. The adaptation is guided by the gradient information from differentiable physics simulations. We propose a novel path-planning method to generate sub-tasks, leveraging Q-learning with a task-level state and reward. We implement our framework in simulation experiments and execute four challenging transfer tasks on robotic manipulation, demonstrating the efficacy of Diff-Transfer through comprehensive experiments. Supplementary and Videos are on the website https://sites.google.com/view/difftransfer

User simulation has long played a vital role in computer science due to its potential to support a wide range of applications. Language, as the primary medium of human communication, forms the foundation of social interaction and behavior. Consequently, simulating conversational behavior has become a key area of study. Recent advancements in large language models (LLMs) have significantly catalyzed progress in this domain by enabling high-fidelity generation of synthetic user conversation. In this paper, we survey recent advancements in LLM-based conversational user simulation. We introduce a novel taxonomy covering user granularity and simulation objectives. Additionally, we systematically analyze core techniques and evaluation methodologies. We aim to keep the research community informed of the latest advancements in conversational user simulation and to further facilitate future research by identifying open challenges and organizing existing work under a unified framework.

Recent advances in the intrinsic reasoning capabilities of large language models (LLMs) have given rise to LLM-based agent systems that exhibit near-human performance on a variety of automated tasks. However, although these systems share similarities in terms of their use of LLMs, different reasoning frameworks of the agent system steer and organize the reasoning process in different ways. In this survey, we propose a systematic taxonomy that decomposes agentic reasoning frameworks and analyze how these frameworks dominate framework-level reasoning by comparing their applications across different scenarios. Specifically, we propose an unified formal language to further classify agentic reasoning systems into single-agent methods, tool-based methods, and multi-agent methods. After that, we provide a comprehensive review of their key application scenarios in scientific discovery, healthcare, software engineering, social simulation, and economics. We also analyze the characteristic features of each framework and summarize different evaluation strategies. Our survey aims to provide the research community with a panoramic view to facilitate understanding of the strengths, suitable scenarios, and evaluation practices of different agentic reasoning frameworks.

Aligning large language models (LLMs) with human values is imperative to mitigate potential adverse effects resulting from their misuse. Drawing from the sociological insight that acknowledging all parties' concerns is a key factor in shaping human values, this paper proposes a novel direction to align LLMs by themselves: social scene simulation. To achieve this, we present MATRIX, a novel social scene simulator that emulates realistic scenes around a user's input query, enabling the LLM to take social consequences into account before responding. MATRIX serves as a virtual rehearsal space, akin to a Monopolylogue, where the LLM performs diverse roles related to the query and practice by itself. To inject this alignment, we fine-tune the LLM with MATRIX-simulated data, ensuring adherence to human values without compromising inference speed. We theoretically show that the LLM with MATRIX outperforms Constitutional AI under mild assumptions. Finally, extensive experiments validate that our method outperforms over 10 baselines across 4 benchmarks. As evidenced by 875 user ratings, our tuned 13B-size LLM exceeds GPT-4 in aligning with human values. Code is available at https://github.com/pangxianghe/MATRIX.

Simulating human clients in mental health counseling is crucial for training and evaluating counselors (both human or simulated) in a scalable manner. Nevertheless, past research on client simulation did not focus on complex conversation tasks such as mental health counseling. In these tasks, the challenge is to ensure that the client's actions (i.e., interactions with the counselor) are consistent with with its stipulated profiles and negative behavior settings. In this paper, we propose a novel framework that supports consistent client simulation for mental health counseling. Our framework tracks the mental state of a simulated client, controls its state transitions, and generates for each state behaviors consistent with the client's motivation, beliefs, preferred plan to change, and receptivity. By varying the client profile and receptivity, we demonstrate that consistent simulated clients for different counseling scenarios can be effectively created. Both our automatic and expert evaluations on the generated counseling sessions also show that our client simulation method achieves higher consistency than previous methods.

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

World models serve as core simulators for fields such as agentic AI, embodied AI, and gaming, capable of generating long, physically realistic, and interactive high-quality videos. Moreover, scaling these models could unlock emergent capabilities in visual perception, understanding, and reasoning, paving the way for a new paradigm that moves beyond current LLM-centric vision foundation models. A key breakthrough empowering them is the semi-autoregressive (block-diffusion) decoding paradigm, which merges the strengths of diffusion and autoregressive methods by generating video tokens in block-applying diffusion within each block while conditioning on previous ones, resulting in more coherent and stable video sequences. Crucially, it overcomes limitations of standard video diffusion by reintroducing LLM-style KV Cache management, enabling efficient, variable-length, and high-quality generation. Therefore, Inferix is specifically designed as a next-generation inference engine to enable immersive world synthesis through optimized semi-autoregressive decoding processes. This dedicated focus on world simulation distinctly sets it apart from systems engineered for high-concurrency scenarios (like vLLM or SGLang) and from classic video diffusion models (such as xDiTs). Inferix further enhances its offering with interactive video streaming and profiling, enabling real-time interaction and realistic simulation to accurately model world dynamics. Additionally, it supports efficient benchmarking through seamless integration of LV-Bench, a new fine-grained evaluation benchmark tailored for minute-long video generation scenarios. We hope the community will work together to advance Inferix and foster world model exploration.

We introduce AQCtensor, a novel algorithm to produce short-depth quantum circuits from Matrix Product States (MPS). Our approach is specifically tailored to the preparation of quantum states generated from the time evolution of quantum many-body Hamiltonians. This tailored approach has two clear advantages over previous algorithms that were designed to map a generic MPS to a quantum circuit. First, we optimize all parameters of a parametric circuit at once using Approximate Quantum Compiling (AQC) - this is to be contrasted with other approaches based on locally optimizing a subset of circuit parameters and "sweeping" across the system. We introduce an optimization scheme to avoid the so-called ``orthogonality catastrophe" - i.e. the fact that the fidelity of two arbitrary quantum states decays exponentially with the number of qubits - that would otherwise render a global optimization of the circuit impractical. Second, the depth of our parametric circuit is constant in the number of qubits for a fixed simulation time and fixed error tolerance. This is to be contrasted with the linear circuit Ansatz used in generic algorithms whose depth scales linearly in the number of qubits. For simulation problems on 100 qubits, we show that AQCtensor thus achieves at least an order of magnitude reduction in the depth of the resulting optimized circuit, as compared with the best generic MPS to quantum circuit algorithms. We demonstrate our approach on simulation problems on Heisenberg-like Hamiltonians on up to 100 qubits and find optimized quantum circuits that have significantly reduced depth as compared to standard Trotterized circuits.

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}.

To advance research in learning-based defogging algorithms, various synthetic fog datasets have been developed. However, existing datasets created using the Atmospheric Scattering Model (ASM) or real-time rendering engines often struggle to produce photo-realistic foggy images that accurately mimic the actual imaging process. This limitation hinders the effective generalization of models from synthetic to real data. In this paper, we introduce an end-to-end simulation pipeline designed to generate photo-realistic foggy images. This pipeline comprehensively considers the entire physically-based foggy scene imaging process, closely aligning with real-world image capture methods. Based on this pipeline, we present a new synthetic fog dataset named SynFog, which features both sky light and active lighting conditions, as well as three levels of fog density. Experimental results demonstrate that models trained on SynFog exhibit superior performance in visual perception and detection accuracy compared to others when applied to real-world foggy images.

We introduce a novel approach to reconstruct simulation-ready garments with intricate appearance. Despite recent advancements, existing methods often struggle to balance the need for accurate garment reconstruction with the ability to generalize to new poses and body shapes or require large amounts of data to achieve this. In contrast, our method only requires a multi-view capture of a single static frame. We represent garments as hybrid mesh-embedded 3D Gaussian splats, where the Gaussians capture near-field shading and high-frequency details, while the mesh encodes far-field albedo and optimized reflectance parameters. We achieve novel pose generalization by exploiting the mesh from our hybrid approach, enabling physics-based simulation and surface rendering techniques, while also capturing fine details with Gaussians that accurately reconstruct garment details. Our optimized garments can be used for simulating garments on novel poses, and garment relighting. Project page: https://phys-gaussian-cloth.github.io .

Nanorobots are a promising development in targeted drug delivery and the treatment of neurological disorders, with potential for crossing the blood-brain barrier (BBB). These small devices leverage advancements in nanotechnology and bioengineering for precise navigation and targeted payload delivery, particularly for conditions like brain tumors, Alzheimer's disease, and Parkinson's disease. Recent progress in artificial intelligence (AI) and machine learning (ML) has improved the navigation and effectiveness of nanorobots, allowing them to detect and interact with cancer cells through biomarker analysis. This study presents a new reinforcement learning (RL) framework for optimizing nanorobot navigation in complex biological environments, focusing on cancer cell detection by analyzing the concentration gradients of surrounding biomarkers. We utilize a computer simulation model to explore the behavior of nanorobots in a three-dimensional space with cancer cells and biological barriers. The proposed method uses Q-learning to refine movement strategies based on real-time biomarker concentration data, enabling nanorobots to autonomously navigate to cancerous tissues for targeted drug delivery. This research lays the groundwork for future laboratory experiments and clinical applications, with implications for personalized medicine and less invasive cancer treatments. The integration of intelligent nanorobots could revolutionize therapeutic strategies, reducing side effects and enhancing treatment effectiveness for cancer patients. Further research will investigate the practical deployment of these technologies in medical settings, aiming to unlock the full potential of nanorobotics in healthcare.

Multi-agent systems play a central role in area coverage tasks across search-and-rescue, environmental monitoring, and precision agriculture. Achieving non-uniform coverage, where spatial priorities vary across the domain, requires coordinating agents while respecting dynamic and communication constraints. Density-driven approaches can distribute agents according to a prescribed reference density, but existing methods do not ensure connectivity. This limitation often leads to communication loss, reduced coordination, and degraded coverage performance. This letter introduces a connectivity-preserving extension of the Density-Driven Optimal Control (D2OC) framework. The coverage objective, defined using the Wasserstein distance between the agent distribution and the reference density, admits a convex quadratic program formulation. Communication constraints are incorporated through a smooth connectivity penalty, which maintains strict convexity, supports distributed implementation, and preserves inter-agent communication without imposing rigid formations. Simulation studies show that the proposed method consistently maintains connectivity, improves convergence speed, and enhances non-uniform coverage quality compared with density-driven schemes that do not incorporate explicit connectivity considerations.

Photoacoustic computed tomography (PACT) is a non-invasive imaging modality, similar to ultrasound, with wide-ranging medical applications. Conventional PACT images are degraded by wavefront distortion caused by the heterogeneous speed of sound (SOS) in tissue. Accounting for these effects can improve image quality and provide medically useful information, but measuring the SOS directly is burdensome and the existing joint reconstruction method is computationally expensive. Traditional supervised learning techniques are currently inaccessible in this data-starved domain. In this work, we introduce an efficient, self-supervised joint reconstruction method that recovers SOS and high-quality images for ring array PACT systems. To solve this semi-blind inverse problem, we parametrize the SOS using either a pixel grid or a neural field (NF) and update it directly by backpropagating the gradients through a differentiable imaging forward model. Our method removes SOS aberrations more accurately and 35x faster than the current SOTA. We demonstrate the success of our method quantitatively in simulation and qualitatively on experimentally-collected and in vivo data. Our code and synthetic numerical phantoms are available on our project page: https://lukeli0425.github.io/Coord-SoS-PACT/.

In this paper, we address the problem of tactile sim-to-real policy transfer for contact-rich tasks. Existing methods primarily focus on vision-based sensors and emphasize image rendering quality while providing overly simplistic models of force and shear. Consequently, these models exhibit a large sim-to-real gap for many dexterous tasks. Here, we present HydroShear, a non-holonomic hydroelastic tactile simulator that advances the state-of-the-art by modeling: a) stick-slip transitions, b) path-dependent force and shear build up, and c) full SE(3) object-sensor interactions. HydroShear extends hydroelastic contact models using Signed Distance Functions (SDFs) to track the displacements of the on-surface points of an indenter during physical interaction with the sensor membrane. Our approach generates physics-based, computationally efficient force fields from arbitrary watertight geometries while remaining agnostic to the underlying physics engine. In experiments with GelSight Minis, HydroShear more faithfully reproduces real tactile shear compared to existing methods. This fidelity enables zero-shot sim-to-real transfer of reinforcement learning policies across four tasks: peg insertion, bin packing, book shelving for insertion, and drawer pulling for fine gripper control under slip. Our method achieves a 93% average success rate, outperforming policies trained on tactile images (34%) and alternative shear simulation methods (58%-61%).

Randomized controlled trials (RCTs) are considered the gold standard for estimating the average treatment effect (ATE) of interventions. One use of RCTs is to study the causes of global poverty -- a subject explicitly cited in the 2019 Nobel Memorial Prize awarded to Duflo, Banerjee, and Kremer "for their experimental approach to alleviating global poverty." Because the ATE is a population summary, anti-poverty experiments often seek to unpack the effect variation around the ATE by conditioning (CATE) on tabular variables such as age and ethnicity that were measured during the RCT data collection. Although such variables are key to unpacking CATE, using only such variables may fail to capture historical, geographical, or neighborhood-specific contributors to effect variation, as tabular RCT data are often only observed near the time of the experiment. In global poverty research, when the location of the experiment units is approximately known, satellite imagery can provide a window into such factors important for understanding heterogeneity. However, there is no method that specifically enables applied researchers to analyze CATE from images. In this paper, using a deep probabilistic modeling framework, we develop such a method that estimates latent clusters of images by identifying images with similar treatment effects distributions. Our interpretable image CATE model also includes a sensitivity factor that quantifies the importance of image segments contributing to the effect cluster prediction. We compare the proposed methods against alternatives in simulation; also, we show how the model works in an actual RCT, estimating the effects of an anti-poverty intervention in northern Uganda and obtaining a posterior predictive distribution over effects for the rest of the country where no experimental data was collected. We make all models available in open-source software.

In this work, we present STOPNet, a framework for 6-DoF object suction detection on production lines, with a focus on but not limited to transparent objects, which is an important and challenging problem in robotic systems and modern industry. Current methods requiring depth input fail on transparent objects due to depth cameras' deficiency in sensing their geometry, while we proposed a novel framework to reconstruct the scene on the production line depending only on RGB input, based on multiview stereo. Compared to existing works, our method not only reconstructs the whole 3D scene in order to obtain high-quality 6-DoF suction poses in real time but also generalizes to novel environments, novel arrangements and novel objects, including challenging transparent objects, both in simulation and the real world. Extensive experiments in simulation and the real world show that our method significantly surpasses the baselines and has better generalizability, which caters to practical industrial needs.

Existing evaluation paradigms for Autonomous Vehicles (AVs) face critical limitations. Real-world evaluation is often challenging due to safety concerns and a lack of reproducibility, whereas closed-loop simulation can face insufficient realism or high computational costs. Open-loop evaluation, while being efficient and data-driven, relies on metrics that generally overlook compounding errors. In this paper, we propose pseudo-simulation, a novel paradigm that addresses these limitations. Pseudo-simulation operates on real datasets, similar to open-loop evaluation, but augments them with synthetic observations generated prior to evaluation using 3D Gaussian Splatting. Our key idea is to approximate potential future states the AV might encounter by generating a diverse set of observations that vary in position, heading, and speed. Our method then assigns a higher importance to synthetic observations that best match the AV's likely behavior using a novel proximity-based weighting scheme. This enables evaluating error recovery and the mitigation of causal confusion, as in closed-loop benchmarks, without requiring sequential interactive simulation. We show that pseudo-simulation is better correlated with closed-loop simulations (R^2=0.8) than the best existing open-loop approach (R^2=0.7). We also establish a public leaderboard for the community to benchmark new methodologies with pseudo-simulation. Our code is available at https://github.com/autonomousvision/navsim.

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.

The dynamic nature of proteins is crucial for determining their biological functions and properties, for which Monte Carlo (MC) and molecular dynamics (MD) simulations stand as predominant tools to study such phenomena. By utilizing empirically derived force fields, MC or MD simulations explore the conformational space through numerically evolving the system via Markov chain or Newtonian mechanics. However, the high-energy barrier of the force fields can hamper the exploration of both methods by the rare event, resulting in inadequately sampled ensemble without exhaustive running. Existing learning-based approaches perform direct sampling yet heavily rely on target-specific simulation data for training, which suffers from high data acquisition cost and poor generalizability. Inspired by simulated annealing, we propose Str2Str, a novel structure-to-structure translation framework capable of zero-shot conformation sampling with roto-translation equivariant property. Our method leverages an amortized denoising score matching objective trained on general crystal structures and has no reliance on simulation data during both training and inference. Experimental results across several benchmarking protein systems demonstrate that Str2Str outperforms previous state-of-the-art generative structure prediction models and can be orders of magnitude faster compared to long MD simulations. Our open-source implementation is available at https://github.com/lujiarui/Str2Str

This work aims to predict channels in wireless communication systems based on noisy observations, utilizing sequence-to-sequence models with attention (Seq2Seq-attn) and transformer models. Both models are adapted from natural language processing to tackle the complex challenge of channel prediction. Additionally, a new technique called reverse positional encoding is introduced in the transformer model to improve the robustness of the model against varying sequence lengths. Similarly, the encoder outputs of the Seq2Seq-attn model are reversed before applying attention. Simulation results demonstrate that the proposed ordering techniques allow the models to better capture the relationships between the channel snapshots within the sequence, irrespective of the sequence length, as opposed to existing methods.

Simulation offers a scalable and low-cost way to enrich vision-language-action (VLA) training, reducing reliance on expensive real-robot demonstrations. However, most sim-real co-training methods rely on supervised fine-tuning (SFT), which treats simulation as a static source of demonstrations and does not exploit large-scale closed-loop interaction. Consequently, real-world gains and generalization are often limited. In this paper, we propose an \textit{RL}-based sim-real \textit{Co}-training (RL-Co) framework that leverages interactive simulation while preserving real-world capabilities. Our method follows a generic two-stage design: we first warm-start the policy with SFT on a mixture of real and simulated demonstrations, then fine-tune it with reinforcement learning in simulation while adding an auxiliary supervised loss on real-world data to anchor the policy and mitigate catastrophic forgetting. We evaluate our framework on four real-world tabletop manipulation tasks using two representative VLA architectures, OpenVLA and π_{0.5}, and observe consistent improvements over real-only fine-tuning and SFT-based co-training, including +24% real-world success on OpenVLA and +20% on π_{0.5}. Beyond higher success rates, RL co-training yields stronger generalization to unseen task variations and substantially improved real-world data efficiency, providing a practical and scalable pathway for leveraging simulation to enhance real-robot deployment.

Large language models (LLMs) have demonstrated impressive capabilities in role-playing tasks. However, there is limited research on whether LLMs can accurately simulate user behavior in real-world scenarios, such as social media. This requires models to effectively analyze a user's history and simulate their role. In this paper, we introduce FineRob, a novel fine-grained behavior simulation dataset. We collect the complete behavioral history of 1,866 distinct users across three social media platforms. Each behavior is decomposed into three fine-grained elements: object, type, and content, resulting in 78.6k QA records. Based on FineRob, we identify two dominant reasoning patterns in LLMs' behavior simulation processes and propose the OM-CoT fine-tuning method to enhance the capability. Through comprehensive experiments, we conduct an in-depth analysis of key factors of behavior simulation and also demonstrate the effectiveness of OM-CoT approachCode and dataset are available at \url{https://github.com/linkseed18612254945/FineRob}

General full-wave electromagnetic solvers, such as those utilizing the finite-difference time-domain (FDTD) method, are computationally demanding for simulating practical GPR problems. We explore the performance of a near-real-time, forward modeling approach for GPR that is based on a machine learning (ML) architecture. To ease the process, we have developed a framework that is capable of generating these ML-based forward solvers automatically. The framework uses an innovative training method that combines a predictive dimensionality reduction technique and a large data set of modeled GPR responses from our FDTD simulation software, gprMax. The forward solver is parameterized for a specific GPR application, but the framework can be extended in a straightforward manner to different electromagnetic problems.

Reconfigurable intelligent surfaces (RISs) have become one of the key technologies in 6G wireless communications. By configuring the reflection beamforming codebooks, RIS focuses signals on target receivers. In this paper, we investigate the codebook configuration for 1-bit RIS-aided systems. We propose a novel learning-based method built upon the advanced methodology of implicit neural representations. The proposed model learns a continuous and differentiable coordinate-to-codebook representation from samplings. Our method only requires the information of the user's coordinate and avoids the assumption of channel models. Moreover, we propose an encoding-decoding strategy to reduce the dimension of codebooks, and thus improve the learning efficiency of the proposed method. Experimental results on simulation and measured data demonstrated the remarkable advantages of the proposed method.

Reinforcement learning (RL) in recommendation systems offers the potential to optimize recommendations for long-term user engagement. However, the environment often involves large state and action spaces, which makes it hard to efficiently learn and explore. In this work, we propose a sample-efficient representation learning algorithm, using the standard slate recommendation setup, to treat this as an online RL problem with low-rank Markov decision processes (MDPs). We also construct the recommender simulation environment with the proposed setup and sampling method.

Conversational recommender systems (CRSs) aim to provide recommendation services via natural language conversations. Although a number of approaches have been proposed for developing capable CRSs, they typically rely on sufficient training data for training. Since it is difficult to annotate recommendation-oriented dialogue datasets, existing CRS approaches often suffer from the issue of insufficient training due to the scarcity of training data. To address this issue, in this paper, we propose a CounterFactual data simulation approach for CRS, named CFCRS, to alleviate the issue of data scarcity in CRSs. Our approach is developed based on the framework of counterfactual data augmentation, which gradually incorporates the rewriting to the user preference from a real dialogue without interfering with the entire conversation flow. To develop our approach, we characterize user preference and organize the conversation flow by the entities involved in the dialogue, and design a multi-stage recommendation dialogue simulator based on a conversation flow language model. Under the guidance of the learned user preference and dialogue schema, the flow language model can produce reasonable, coherent conversation flows, which can be further realized into complete dialogues. Based on the simulator, we perform the intervention at the representations of the interacted entities of target users, and design an adversarial training method with a curriculum schedule that can gradually optimize the data augmentation strategy. Extensive experiments show that our approach can consistently boost the performance of several competitive CRSs, and outperform other data augmentation methods, especially when the training data is limited. Our code is publicly available at https://github.com/RUCAIBox/CFCRS.

Autonomous odor source localization remains a challenging problem for aerial robots due to turbulent airflow, sparse and delayed sensory signals, and strict payload and compute constraints. While prior unmanned aerial vehicle (UAV)-based olfaction systems have demonstrated gas distribution mapping or reactive plume tracing, they rely on predefined coverage patterns, external infrastructure, or extensive sensing and coordination. In this work, we present a complete, open-source UAV system for online odor source localization using a minimal sensor suite. The system integrates custom olfaction hardware, onboard sensing, and a learning-based navigation policy trained in simulation and deployed on a real quadrotor. Through our minimal framework, the UAV is able to navigate directly toward an odor source without constructing an explicit gas distribution map or relying on external positioning systems. Vision is incorporated as an optional complementary modality to accelerate navigation under certain conditions. We validate the proposed system through real-world flight experiments in a large indoor environment using an ethanol source, demonstrating consistent source-finding behavior under realistic airflow conditions. The primary contribution of this work is a reproducible system and methodological framework for UAV-based olfactory navigation and source finding under minimal sensing assumptions. We elaborate on our hardware design and open source our UAV firmware, simulation code, olfaction-vision dataset, and circuit board to the community. Code, data, and designs will be made available at https://github.com/KordelFranceTech/ChasingGhosts.

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.

Debate is the process of exchanging viewpoints or convincing others on a particular issue. Recent research has provided empirical evidence that the persuasiveness of an argument is determined not only by language usage but also by communicator characteristics. Researchers have paid much attention to aspects of languages, such as linguistic features and discourse structures, but combining argument persuasiveness and impact with the social personae of the audience has not been explored due to the difficulty and complexity. We have observed the impressive simulation and personification capability of ChatGPT, indicating a giant pre-trained language model may function as an individual to provide personae and exert unique influences based on diverse background knowledge. Therefore, we propose a persona knowledge-aligned framework for argument quality assessment tasks from the audience side. This is the first work that leverages the emergence of ChatGPT and injects such audience personae knowledge into smaller language models via prompt tuning. The performance of our pipeline demonstrates significant and consistent improvement compared to competitive architectures.

Cross-domain speech enhancement (SE) is often faced with severe challenges due to the scarcity of noise and background information in an unseen target domain, leading to a mismatch between training and test conditions. This study puts forward a novel data simulation method to address this issue, leveraging noise-extractive techniques and generative adversarial networks (GANs) with only limited target noisy speech data. Notably, our method employs a noise encoder to extract noise embeddings from target-domain data. These embeddings aptly guide the generator to synthesize utterances acoustically fitted to the target domain while authentically preserving the phonetic content of the input clean speech. Furthermore, we introduce the notion of dynamic stochastic perturbation, which can inject controlled perturbations into the noise embeddings during inference, thereby enabling the model to generalize well to unseen noise conditions. Experiments on the VoiceBank-DEMAND benchmark dataset demonstrate that our domain-adaptive SE method outperforms an existing strong baseline based on data simulation.

Despite the growing use of large language models (LLMs) in clinical dialogue systems, existing evaluations focus on task completion or fluency, offering little insight into the behavioral and risk management requirements essential for safety-critical systems. This paper presents MATRIX (Multi-Agent simulaTion fRamework for safe Interactions and conteXtual clinical conversational evaluation), a structured, extensible framework for safety-oriented evaluation of clinical dialogue agents. MATRIX integrates three components: (1) a safety-aligned taxonomy of clinical scenarios, expected system behaviors and failure modes derived through structured safety engineering methods; (2) BehvJudge, an LLM-based evaluator for detecting safety-relevant dialogue failures, validated against expert clinician annotations; and (3) PatBot, a simulated patient agent capable of producing diverse, scenario-conditioned responses, evaluated for realism and behavioral fidelity with human factors expertise, and a patient-preference study. Across three experiments, we show that MATRIX enables systematic, scalable safety evaluation. BehvJudge with Gemini 2.5-Pro achieves expert-level hazard detection (F1 0.96, sensitivity 0.999), outperforming clinicians in a blinded assessment of 240 dialogues. We also conducted one of the first realism analyses of LLM-based patient simulation, showing that PatBot reliably simulates realistic patient behavior in quantitative and qualitative evaluations. Using MATRIX, we demonstrate its effectiveness in benchmarking five LLM agents across 2,100 simulated dialogues spanning 14 hazard scenarios and 10 clinical domains. MATRIX is the first framework to unify structured safety engineering with scalable, validated conversational AI evaluation, enabling regulator-aligned safety auditing. We release all evaluation tools, prompts, structured scenarios, and datasets.

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

Constraint Programming (CP) is a declarative programming paradigm that allows for modeling and solving combinatorial optimization problems, such as the Job-Shop Scheduling Problem (JSSP). While CP solvers manage to find optimal or near-optimal solutions for small instances, they do not scale well to large ones, i.e., they require long computation times or yield low-quality solutions. Therefore, real-world scheduling applications often resort to fast, handcrafted, priority-based dispatching heuristics to find a good initial solution and then refine it using optimization methods. This paper proposes a novel end-to-end approach to solving scheduling problems by means of CP and Reinforcement Learning (RL). In contrast to previous RL methods, tailored for a given problem by including procedural simulation algorithms, complex feature engineering, or handcrafted reward functions, our neural-network architecture and training algorithm merely require a generic CP encoding of some scheduling problem along with a set of small instances. Our approach leverages existing CP solvers to train an agent learning a Priority Dispatching Rule (PDR) that generalizes well to large instances, even from separate datasets. We evaluate our method on seven JSSP datasets from the literature, showing its ability to find higher-quality solutions for very large instances than obtained by static PDRs and by a CP solver within the same time limit.

We propose a new policy representation based on score-based diffusion models (SDMs). We apply our new policy representation in the domain of Goal-Conditioned Imitation Learning (GCIL) to learn general-purpose goal-specified policies from large uncurated datasets without rewards. Our new goal-conditioned policy architecture "BEhavior generation with ScOre-based Diffusion Policies" (BESO) leverages a generative, score-based diffusion model as its policy. BESO decouples the learning of the score model from the inference sampling process, and, hence allows for fast sampling strategies to generate goal-specified behavior in just 3 denoising steps, compared to 30+ steps of other diffusion based policies. Furthermore, BESO is highly expressive and can effectively capture multi-modality present in the solution space of the play data. Unlike previous methods such as Latent Plans or C-Bet, BESO does not rely on complex hierarchical policies or additional clustering for effective goal-conditioned behavior learning. Finally, we show how BESO can even be used to learn a goal-independent policy from play-data using classifier-free guidance. To the best of our knowledge this is the first work that a) represents a behavior policy based on such a decoupled SDM b) learns an SDM based policy in the domain of GCIL and c) provides a way to simultaneously learn a goal-dependent and a goal-independent policy from play-data. We evaluate BESO through detailed simulation and show that it consistently outperforms several state-of-the-art goal-conditioned imitation learning methods on challenging benchmarks. We additionally provide extensive ablation studies and experiments to demonstrate the effectiveness of our method for goal-conditioned behavior generation. Demonstrations and Code are available at https://intuitive-robots.github.io/beso-website/

Training dialog policies for speech-based virtual assistants requires a plethora of conversational data. The data collection phase is often expensive and time consuming due to human involvement. To address this issue, a common solution is to build user simulators for data generation. For the successful deployment of the trained policies into real world domains, it is vital that the user simulator mimics realistic conditions. In particular, speech-based assistants are heavily affected by automatic speech recognition and language understanding errors, hence the user simulator should be able to simulate similar errors. In this paper, we review the existing error simulation methods that induce errors at audio, phoneme, text, or semantic level; and conduct detailed comparisons between the audio-level and text-level methods. In the process, we improve the existing text-level method by introducing confidence score prediction and out-of-vocabulary word mapping. We also explore the impact of audio-level and text-level methods on learning a simple clarification dialog policy to recover from errors to provide insight on future improvement for both approaches.

Large Language Model (LLM) agents have demonstrated impressive capabilities for social interaction and are increasingly being deployed in situations where they might engage with both human and artificial agents. These interactions represent a critical frontier for LLM-based agents, yet existing evaluation methods fail to measure how well these capabilities generalize to novel social situations. In this paper, we introduce a method for evaluating the ability of LLM-based agents to cooperate in zero-shot, mixed-motive environments using Concordia, a natural language multi-agent simulation environment. Our method measures general cooperative intelligence by testing an agent's ability to identify and exploit opportunities for mutual gain across diverse partners and contexts. We present empirical results from the NeurIPS 2024 Concordia Contest, where agents were evaluated on their ability to achieve mutual gains across a suite of diverse scenarios ranging from negotiation to collective action problems. Our findings reveal significant gaps between current agent capabilities and the robust generalization required for reliable cooperation, particularly in scenarios demanding persuasion and norm enforcement.

A central statistical problem in population genetics is to infer evolutionary and biological parameters such as the strength of natural selection and allele age from DNA samples extracted from a contemporary population. That all samples come only from the present-day has long been known to limit statistical inference; there is potentially more information available if one also has access to ancient DNA so that inference is based on a time-series of historical changes in allele frequencies. We introduce a Markov Chain Monte Carlo (MCMC) method for Bayesian inference from allele frequency time-series data based on an underlying Wright--Fisher diffusion model of evolution, through which one can infer the parameters of essentially any selection model including those with frequency-dependent effects. The chief novelty is that we show this method to be exact in the sense that it is possible to augment the state space explored by MCMC with the unobserved diffusion trajectory, even though the transition function of this diffusion is intractable. Through careful design of a proposal distribution, we describe an efficient method in which updates to the trajectory and accept/reject decisions are calculated without error. We illustrate the method on data capturing changes in coat colour over the past 20,000 years, and find evidence to support previous findings that the mutant alleles ASIP and MC1R responsible for changes in coat color have experienced very strong, possibly overdominant, selection and further provide estimates for the ages of these genes.

Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have been held back by limitations in their simulation-based maximum likelihood training. We introduce the generalized conditional flow matching (CFM) technique, a family of simulation-free training objectives for CNFs. CFM features a stable regression objective like that used to train the stochastic flow in diffusion models but enjoys the efficient inference of deterministic flow models. In contrast to both diffusion models and prior CNF training algorithms, CFM does not require the source distribution to be Gaussian or require evaluation of its density. A variant of our objective is optimal transport CFM (OT-CFM), which creates simpler flows that are more stable to train and lead to faster inference, as evaluated in our experiments. Furthermore, we show that when the true OT plan is available, our OT-CFM method approximates dynamic OT. Training CNFs with CFM improves results on a variety of conditional and unconditional generation tasks, such as inferring single cell dynamics, unsupervised image translation, and Schr\"odinger bridge inference.

Large Language Models (LLMs) have made significant strides in code generation and problem solving. Current approaches employ external tool-based iterative debuggers that use compiler or other tool-based runtime feedback to refine coarse programs generated by various methods. However, the effectiveness of these approaches heavily relies on the quality of the initial code generation, which remains an open challenge. In this paper, we introduce CodeSim, a novel multi-agent code generation framework that comprehensively addresses the stages of program synthesis-planning, coding, and debugging-through a human-like perception approach. As human verifies their understanding of any algorithms through visual simulation, CodeSim uniquely features a method of plan verification and internal debugging through the step-by-step simulation of input/output. Extensive experiments across seven challenging competitive problem-solving and program synthesis benchmarks demonstrate CodeSim's remarkable code generation capabilities. Our framework achieves new state-of-the-art (pass@1) results-(HumanEval 95.1%, MBPP 90.7%, APPS 22%, and CodeContests 29.1%). Furthermore, our method shows potential for even greater enhancement when cascaded with external debuggers. To facilitate further research and development in this area, we have open-sourced our framework in this link (https://kagnlp.github.io/codesim.github.io/).