arXiv subjects

Jian Sun

Publications and source records attributed to Jian Sun.

At least 91 records · Page 5Linked to original sources

arXiv2025

Towards Prospective Medical Image Reconstruction via Knowledge-Informed Dynamic Optimal Transport

Medical image reconstruction from measurement data is a vital but challenging inverse problem. Deep learning approaches have achieved promising results, but often requires paired measurement and high-quality images, which is typically simulated through a forward model, i.e., retrospective reconstruction. However, training on simulated pairs commonly leads to performance degradation on real prospective data due to the retrospective-to-prospective gap caused by incomplete imaging knowledge in simulation. To address this challenge, this paper introduces imaging Knowledge-Informed Dynamic Optimal Transport (KIDOT), a novel dynamic optimal transport framework with optimality in the sense of preserving consistency with imaging physics in transport, that conceptualizes reconstruction as finding a dynamic transport path. KIDOT learns from unpaired data by modeling reconstruction as a continuous evolution path from measurements to images, guided by an imaging knowledge-informed cost function and transport equation. This dynamic and knowledge-aware approach enhances robustness and better leverages unpaired data while respecting acquisition physics. Theoretically, we demonstrate that KIDOT naturally generalizes dynamic optimal transport, ensuring its mathematical rationale and solution existence. Extensive experiments on MRI and CT reconstruction demonstrate KIDOT's superior performance.

eess.IV↗

arXiv2025

Joint Velocity-Growth Flow Matching for Single-Cell Dynamics Modeling

Learning the underlying dynamics of single cells from snapshot data has gained increasing attention in scientific and machine learning research. The destructive measurement technique and cell proliferation/death result in unpaired and unbalanced data between snapshots, making the learning of the underlying dynamics challenging. In this paper, we propose joint Velocity-Growth Flow Matching (VGFM), a novel paradigm that jointly learns state transition and mass growth of single-cell populations via flow matching. VGFM builds an ideal single-cell dynamics containing velocity of state and growth of mass, driven by a presented two-period dynamic understanding of the static semi-relaxed optimal transport, a mathematical tool that seeks the coupling between unpaired and unbalanced data. To enable practical usage, we approximate the ideal dynamics using neural networks, forming our joint velocity and growth matching framework. A distribution fitting loss is also employed in VGFM to further improve the fitting performance for snapshot data. Extensive experimental results on both synthetic and real datasets demonstrate that VGFM can capture the underlying biological dynamics accounting for mass and state variations over time, outperforming existing approaches for single-cell dynamics modeling.

cs.LG↗

arXiv2025

Scalable cell filter nudged elastic band (CFNEB) for large-scale transition-path calculations

The nudged elastic band (NEB) method is one of the most widely used techniques for determining minimum-energy reaction pathways and activation barriers between known initial and final states. However, conventional implementations face steep computational scaling with system size, which makes nucleation-type transitions in realistically large supercells practically inaccessible. In this work, we develop a scalable cell-filter nudged elastic band (CFNEB) framework that enables efficient transition-path calculations in systems containing up to $10^5$ atoms. The method combines a deformation-based cell filtering scheme, which treats lattice vectors as generalized coordinates while removing spurious rotational degrees of freedom, with an adaptive image insertion and deletion strategy that dynamically refines the reaction path. We implement CFNEB both within the ASE environment and in a fully GPU-accelerated version using the Graphics Processing Units Molecular Dynamics (GPUMD) engine, achieving throughput on the order of $10^6$ atom$\cdot$steps per second on consumer GPUs. We demonstrate the method on two representative systems: the layer-by-layer $β$-$λ$ transition in $Ti_3O_5$ and the nucleation-driven graphite-to-diamond transformation. These examples illustrate that CFNEB not only reproduces known concerted pathways but also captures spontaneous symmetry breaking toward nucleated mechanisms when the simulation cell is sufficiently large. Our results establish CFNEB as a practical route to exploring realistic transition mechanisms in large-scale solid-state systems.

physics.comp-ph↗

arXiv2025

A Knowledge-Driven Diffusion Policy for End-to-End Autonomous Driving Based on Expert Routing

End-to-end autonomous driving remains constrained by the difficulty of producing adaptive, robust, and interpretable decision-making across diverse scenarios. Existing methods often collapse diverse driving behaviors, lack long-horizon consistency, or require task-specific engineering that limits generalization. This paper presents KDP, a knowledge-driven diffusion policy that integrates generative diffusion modeling with a sparse mixture-of-experts routing mechanism. The diffusion component generates temporally coherent action sequences, while the expert routing mechanism activates specialized and reusable experts according to context, enabling modular knowledge composition. Extensive experiments across representative driving scenarios demonstrate that KDP achieves consistently higher success rates, reduced collision risk, and smoother control compared to prevailing paradigms. Ablation studies highlight the effectiveness of sparse expert activation and the Transformer backbone, and activation analyses reveal structured specialization and cross-scenario reuse of experts. These results establish diffusion with expert routing as a scalable and interpretable paradigm for knowledge-driven end-to-end autonomous driving.

cs.RO↗

arXiv2025

DyMoDreamer: World Modeling with Dynamic Modulation

A critical bottleneck in deep reinforcement learning (DRL) is sample inefficiency, as training high-performance agents often demands extensive environmental interactions. Model-based reinforcement learning (MBRL) mitigates this by building world models that simulate environmental dynamics and generate synthetic experience, improving sample efficiency. However, conventional world models process observations holistically, failing to decouple dynamic objects and temporal features from static backgrounds. This approach is computationally inefficient, especially for visual tasks where dynamic objects significantly influence rewards and decision-making performance. To address this, we introduce DyMoDreamer, a novel MBRL algorithm that incorporates a dynamic modulation mechanism to improve the extraction of dynamic features and enrich the temporal information. DyMoDreamer employs differential observations derived from a novel inter-frame differencing mask, explicitly encoding object-level motion cues and temporal dynamics. Dynamic modulation is modeled as stochastic categorical distributions and integrated into a recurrent state-space model (RSSM), enhancing the model's focus on reward-relevant dynamics. Experiments demonstrate that DyMoDreamer sets a new state-of-the-art on the Atari $100$k benchmark with a $156.6$\% mean human-normalized score, establishes a new record of $832$ on the DeepMind Visual Control Suite, and gains a $9.5$\% performance improvement after $1$M steps on the Crafter benchmark. Our code is released at https://github.com/Ultraman-Tiga1/DyMoDreamer.

cs.LG↗

arXiv2025

Towards Interactive and Learnable Cooperative Driving Automation: a Large Language Model-Driven Decision-Making Framework

At present, Connected Autonomous Vehicles (CAVs) have begun to open road testing around the world, but their safety and efficiency performance in complex scenarios is still not satisfactory. Cooperative driving leverages the connectivity ability of CAVs to achieve synergies greater than the sum of their parts, making it a promising approach to improving CAV performance in complex scenarios. However, the lack of interaction and continuous learning ability limits current cooperative driving to single-scenario applications and specific Cooperative Driving Automation (CDA). To address these challenges, this paper proposes CoDrivingLLM, an interactive and learnable LLM-driven cooperative driving framework, to achieve all-scenario and all-CDA. First, since Large Language Models(LLMs) are not adept at handling mathematical calculations, an environment module is introduced to update vehicle positions based on semantic decisions, thus avoiding potential errors from direct LLM control of vehicle positions. Second, based on the four levels of CDA defined by the SAE J3216 standard, we propose a Chain-of-Thought (COT) based reasoning module that includes state perception, intent sharing, negotiation, and decision-making, enhancing the stability of LLMs in multi-step reasoning tasks. Centralized conflict resolution is then managed through a conflict coordinator in the reasoning process. Finally, by introducing a memory module and employing retrieval-augmented generation, CAVs are endowed with the ability to learn from their past experiences. We validate the proposed CoDrivingLLM through ablation experiments on the negotiation module, reasoning with different shots experience, and comparison with other cooperative driving methods.

cs.RO↗

arXiv2025

CoReVLA: A Dual-Stage End-to-End Autonomous Driving Framework for Long-Tail Scenarios via Collect-and-Refine

Autonomous Driving (AD) systems have made notable progress, but their performance in long-tail, safety-critical scenarios remains limited. These rare cases contribute a disproportionate number of accidents. Vision-Language Action (VLA) models have strong reasoning abilities and offer a potential solution, but their effectiveness is limited by the lack of high-quality data and inefficient learning in such conditions. To address these challenges, we propose CoReVLA, a continual learning end-to-end autonomous driving framework that improves the performance in long-tail scenarios through a dual-stage process of data Collection and behavior Refinement. First, the model is jointly fine-tuned on a mixture of open-source driving QA datasets, allowing it to acquire a foundational understanding of driving scenarios. Next, CoReVLA is deployed within the Cave Automatic Virtual Environment (CAVE) simulation platform, where driver takeover data is collected from real-time interactions. Each takeover indicates a long-tail scenario that CoReVLA fails to handle reliably. Finally, the model is refined via Direct Preference Optimization (DPO), allowing it to learn directly from human preferences and thereby avoid reward hacking caused by manually designed rewards. Extensive open-loop and closed-loop experiments demonstrate that the proposed CoReVLA model can accurately perceive driving scenarios and make appropriate decisions. On the Bench2Drive benchmark, CoReVLA achieves a Driving Score (DS) of 72.18 and a Success Rate (SR) of 50%, outperforming state-of-the-art methods by 7.96 DS and 15% SR under long-tail, safety-critical scenarios. Furthermore, case studies demonstrate the model's ability to continually improve its performance in similar failure-prone scenarios by leveraging past takeover experiences. All codea and preprocessed datasets are available at: https://github.com/FanGShiYuu/CoReVLA

cs.RO↗

arXiv2025

CORB-Planner: Corridor as Observations for RL Planning in High-Speed Flight

Reinforcement learning (RL) has shown promise in a large number of robotic control tasks. Nevertheless, its deployment on unmanned aerial vehicles (UAVs) remains challenging, mainly because of reliance on accurate dynamic models and platform-specific sensing, which hinders cross-platform transfer. This paper presents the CORB-Planner (Corridor-as-Observations for RL B-spline planner), a real-time, RL-based trajectory planning framework for high-speed autonomous UAV flight across heterogeneous platforms. The key idea is to combine B-spline trajectory generation with the RL policy producing successive control points with a compact safe flight corridor (SFC) representation obtained via heuristic search. The SFC abstracts obstacle information in a low-dimensional form, mitigating overfitting to platform-specific details and reducing sensitivity to model inaccuracies. To narrow the sim-to-real gap, we adopt an easy-to-hard progressive training pipeline in simulation. A value-based soft decomposed-critic Q (SDCQ) algorithm is used to learn effective policies within approximately ten minutes of training. Benchmarks in simulation and real-world tests demonstrate real-time planning on lightweight onboard hardware and support maximum flight speeds up to 8.2m/s in dense, cluttered environments without external positioning. Compatibility with various UAV configurations (quadrotors, hexarotors) and modest onboard compute underlines the generality and robustness of CORB-Planner for practical deployment.

cs.RO↗

arXiv2025

DiffAero: A GPU-Accelerated Differentiable Simulation Framework for Efficient Quadrotor Policy Learning

This letter introduces DiffAero, a lightweight, GPU-accelerated, and fully differentiable simulation framework designed for efficient quadrotor control policy learning. DiffAero supports both environment-level and agent-level parallelism and integrates multiple dynamics models, customizable sensor stacks (IMU, depth camera, and LiDAR), and diverse flight tasks within a unified, GPU-native training interface. By fully parallelizing both physics and rendering on the GPU, DiffAero eliminates CPU-GPU data transfer bottlenecks and delivers orders-of-magnitude improvements in simulation throughput. In contrast to existing simulators, DiffAero not only provides high-performance simulation but also serves as a research platform for exploring differentiable and hybrid learning algorithms. Extensive benchmarks and real-world flight experiments demonstrate that DiffAero and hybrid learning algorithms combined can learn robust flight policies in hours on consumer-grade hardware. The code is available at https://github.com/flyingbitac/diffaero.

cs.RO↗

arXiv2025

GPUTB: Efficient Machine Learning Tight-Binding Method for Large-Scale Electronic Properties Calculations

The high computational cost of ab-initio methods limits their application in predicting electronic properties at the device scale. Therefore, an efficient method is needed to map the atomic structure to the electronic structure quickly. Here, we develop GPUTB, a GPU-accelerated tight-binding (TB) machine learning framework. GPUTB employs atomic environment descriptors, enabling the model parameters to incorporate environmental dependence. This allows the model to transfer to different basis, xc-functionals, and allotropes easily. Combined with the linear scaling quantum transport method, we have calculated the electronic density of states for up to 100 million atoms in pristine graphene. Trained on finite-temperature structures, the model can be easily extended to millions of atom finite-temperature systems. Furthermore, GPUTB can also successfully describe h-BN/graphene heterojunction systems, demonstrating its capability to handle complex material with high precision. We accurately reproduce the relationship between carrier concentration and room temperature mobility in graphene to verify the framework's accuracy. Therefore, our GPUTB framework presents a delicate balance between computational accuracy and efficiency, providing a powerful computational tool for investing electronic properties for large systems with millions of atoms.

cond-mat.mtrl-sci↗

arXiv2025

Hot-Ham: an accurate and efficient E(3)-equivariant machine-learning electronic structures calculation framework

The combinations of machine learning with ab initio methods have attracted much attention for their potential to resolve the accuracy-efficiency dilemma and facilitate calculations for large-scale systems. Recently, equivariant message passing neural networks (MPNNs) that explicitly incorporate symmetry constraints have demonstrated promise for interatomic potential and density functional theory (DFT) Hamiltonian predictions. However, the high-order tensors used to represent node and edge information are coupled through the Clebsch-Gordan tensor product (CGTP), leading to steep increases in computational complexity and seriously hindering the performance of equivariant MPNNs. Here, we develop High-order Tensor machine-learning Hamiltonian (Hot-Ham), an E(3) equivariant MPNN framework that combines two advanced technologies local coordinate transformation and Gaunt tensor product (GTP) to efficiently model DFT Hamiltonians. These two innovations significantly reduce the complexity of tensor products from O(L^6) to O(L^3) or O(L^2 log^2 L) for the max tensor order L, and enhance the performance of MPNNs. Benchmarks on several public datasets demonstrate its state-of-the-art accuracy with relatively few parameters, and the applications to multilayer twisted moiré systems, heterostructures and allotropes showcase its generalization ability and high efficiency. Our Hot-Ham method provides a new perspective for developing efficient equivariant neural networks and would be a promising approach for investigating the electronic properties of large-scale materials systems.

physics.comp-ph↗

arXiv2025

Robust Offline Imitation Learning Through State-level Trajectory Stitching

Imitation learning (IL) has proven effective for enabling robots to acquire visuomotor skills through expert demonstrations. However, traditional IL methods are limited by their reliance on high-quality, often scarce, expert data, and suffer from covariate shift. To address these challenges, recent advances in offline IL have incorporated suboptimal, unlabeled datasets into the training. In this paper, we propose a novel approach to enhance policy learning from mixed-quality offline datasets by leveraging task-relevant trajectory fragments and rich environmental dynamics. Specifically, we introduce a state-based search framework that stitches state-action pairs from imperfect demonstrations, generating more diverse and informative training trajectories. Experimental results on standard IL benchmarks and real-world robotic tasks showcase that our proposed method significantly improves both generalization and performance.

cs.RO↗

arXiv2025

Language-Driven Policy Distillation for Cooperative Driving in Multi-Agent Reinforcement Learning

The cooperative driving technology of Connected and Autonomous Vehicles (CAVs) is crucial for improving the efficiency and safety of transportation systems. Learning-based methods, such as Multi-Agent Reinforcement Learning (MARL), have demonstrated strong capabilities in cooperative decision-making tasks. However, existing MARL approaches still face challenges in terms of learning efficiency and performance. In recent years, Large Language Models (LLMs) have rapidly advanced and shown remarkable abilities in various sequential decision-making tasks. To enhance the learning capabilities of cooperative agents while ensuring decision-making efficiency and cost-effectiveness, we propose LDPD, a language-driven policy distillation method for guiding MARL exploration. In this framework, a teacher agent based on LLM trains smaller student agents to achieve cooperative decision-making through its own decision-making demonstrations. The teacher agent enhances the observation information of CAVs and utilizes LLMs to perform complex cooperative decision-making reasoning, which also leverages carefully designed decision-making tools to achieve expert-level decisions, providing high-quality teaching experiences. The student agent then refines the teacher's prior knowledge into its own model through gradient policy updates. The experiments demonstrate that the students can rapidly improve their capabilities with minimal guidance from the teacher and eventually surpass the teacher's performance. Extensive experiments show that our approach demonstrates better performance and learning efficiency compared to baseline methods.

cs.RO↗

arXiv2025

Predicting Large-scale Urban Network Dynamics with Energy-informed Graph Neural Diffusion

Networked urban systems facilitate the flow of people, resources, and services, and are essential for economic and social interactions. These systems often involve complex processes with unknown governing rules, observed by sensor-based time series. To aid decision-making in industrial and engineering contexts, data-driven predictive models are used to forecast spatiotemporal dynamics of urban systems. Current models such as graph neural networks have shown promise but face a trade-off between efficacy and efficiency due to computational demands. Hence, their applications in large-scale networks still require further efforts. This paper addresses this trade-off challenge by drawing inspiration from physical laws to inform essential model designs that align with fundamental principles and avoid architectural redundancy. By understanding both micro- and macro-processes, we present a principled interpretable neural diffusion scheme based on Transformer-like structures whose attention layers are induced by low-dimensional embeddings. The proposed scalable spatiotemporal Transformer (ScaleSTF), with linear complexity, is validated on large-scale urban systems including traffic flow, solar power, and smart meters, showing state-of-the-art performance and remarkable scalability. Our results constitute a fresh perspective on the dynamics prediction in large-scale urban networks.

cs.LG↗

arXiv2025

Interactive Adversarial Testing of Autonomous Vehicles with Adjustable Confrontation Intensity

Scientific testing techniques are essential for ensuring the safe operation of autonomous vehicles (AVs), with high-risk, highly interactive scenarios being a primary focus. To address the limitations of existing testing methods, such as their heavy reliance on high-quality test data, weak interaction capabilities, and low adversarial robustness, this paper proposes ExamPPO, an interactive adversarial testing framework that enables scenario-adaptive and intensity-controllable evaluation of autonomous vehicles. The framework models the Surrounding Vehicle (SV) as an intelligent examiner, equipped with a multi-head attention-enhanced policy network, enabling context-sensitive and sustained behavioral interventions. A scalar confrontation factor is introduced to modulate the intensity of adversarial behaviors, allowing continuous, fine-grained adjustment of test difficulty. Coupled with structured evaluation metrics, ExamPPO systematically probes AV's robustness across diverse scenarios and strategies. Extensive experiments across multiple scenarios and AV strategies demonstrate that ExamPPO can effectively modulate adversarial behavior, expose decision-making weaknesses in tested AVs, and generalize across heterogeneous environments, thereby offering a unified and reproducible solution for evaluating the safety and intelligence of autonomous decision-making systems.

cs.RO↗

arXiv2025

Seeking to Collide: Online Safety-Critical Scenario Generation for Autonomous Driving with Retrieval Augmented Large Language Models

Simulation-based testing is crucial for validating autonomous vehicles (AVs), yet existing scenario generation methods either overfit to common driving patterns or operate in an offline, non-interactive manner that fails to expose rare, safety-critical corner cases. In this paper, we introduce an online, retrieval-augmented large language model (LLM) framework for generating safety-critical driving scenarios. Our method first employs an LLM-based behavior analyzer to infer the most dangerous intent of the background vehicle from the observed state, then queries additional LLM agents to synthesize feasible adversarial trajectories. To mitigate catastrophic forgetting and accelerate adaptation, we augment the framework with a dynamic memorization and retrieval bank of intent-planner pairs, automatically expanding its behavioral library when novel intents arise. Evaluations using the Waymo Open Motion Dataset demonstrate that our model reduces the mean minimum time-to-collision from 1.62 to 1.08 s and incurs a 75% collision rate, substantially outperforming baselines.

cs.AI↗

arXiv2025

Efficient Multi-Person Motion Prediction by Lightweight Spatial and Temporal Interactions

3D multi-person motion prediction is a highly complex task, primarily due to the dependencies on both individual past movements and the interactions between agents. Moreover, effectively modeling these interactions often incurs substantial computational costs. In this work, we propose a computationally efficient model for multi-person motion prediction by simplifying spatial and temporal interactions. Our approach begins with the design of lightweight dual branches that learn local and global representations for individual and multiple persons separately. Additionally, we introduce a novel cross-level interaction block to integrate the spatial and temporal representations from both branches. To further enhance interaction modeling, we explicitly incorporate the spatial inter-person distance embedding. With above efficient temporal and spatial design, we achieve state-of-the-art performance for multiple metrics on standard datasets of CMU-Mocap, MuPoTS-3D, and 3DPW, while significantly reducing the computational cost. Code is available at https://github.com/Yuanhong-Zheng/EMPMP.

cs.CV↗

arXiv2025

LeAD: The LLM Enhanced Planning System Converged with End-to-end Autonomous Driving

A principal barrier to large-scale deployment of urban autonomous driving systems lies in the prevalence of complex scenarios and edge cases. Existing systems fail to effectively interpret semantic information within traffic contexts and discern intentions of other participants, consequently generating decisions misaligned with skilled drivers' reasoning patterns. We present LeAD, a dual-rate autonomous driving architecture integrating imitation learning-based end-to-end (E2E) frameworks with large language model (LLM) augmentation. The high-frequency E2E subsystem maintains real-time perception-planning-control cycles, while the low-frequency LLM module enhances scenario comprehension through multi-modal perception fusion with HD maps and derives optimal decisions via chain-of-thought (CoT) reasoning when baseline planners encounter capability limitations. Our experimental evaluation in the CARLA Simulator demonstrates LeAD's superior handling of unconventional scenarios, achieving 71 points on Leaderboard V1 benchmark, with a route completion of 93%.

cs.RO↗