arXiv subjects

Xu Han

Publications and source records attributed to Xu Han.

At least 91 records · Page 5Linked to original sources

arXiv2025

Robust, Observable, and Evolvable Agentic Systems Engineering: A Principled Framework Validated via the Fairy GUI Agent

The Agentic Paradigm faces a significant Software Engineering Absence, yielding Agentic systems commonly lacking robustness, observability, and evolvability. To address these deficiencies, we propose a principled engineering framework comprising Runtime Goal Refinement (RGR), Observable Cognitive Architecture (OCA), and Evolutionary Memory Architecture (EMA). In this framework, RGR ensures robustness and intent alignment via knowledge-constrained refinement and human-in-the-loop clarification; OCA builds an observable and maintainable white-box architecture using component decoupling, logic layering, and state-control separation; and EMA employs an execution-evolution dual-loop for evolvability. We implemented and empirically validated Fairy, a mobile GUI agent based on this framework. On RealMobile-Eval, our novel benchmark for ambiguous and complex tasks, Fairy outperformed the best SoTA baseline in user requirement completion by 33.7%. Subsequent controlled experiments, human-subject studies, and ablation studies further confirmed that the RGR enhances refinement accuracy and prevents intent deviation; the OCA improves maintainability; and the EMA is crucial for long-term performance. This research provides empirically validated specifications and a practical blueprint for building reliable, observable, and evolvable Agentic AI systems.

cs.AI↗

arXiv2025

Accelerated Machine Learning Force Field for Predicting Thermal Conductivity of Organic Liquids

The thermal conductivity of organic liquids is a vital parameter influencing various industrial and environmental applications, including energy conversion, electronics cooling, and chemical processing. However, atomistic simulation of thermal conductivity of organic liquids has been hindered by the limited accuracy of classical force fields and the huge computational demand of ab initio methods. In this work, we present a machine learning force field (MLFF)-based molecular dynamics simulation workflow to predict the thermal conductivity of 20 organic liquids. Here, we introduce the concept of differential attention into the MLFF architecture for enhanced learning ability, and we use density of the liquids to align the MLFF with experiments. As a result, this workflow achieves a mean absolute percentage error of 14% for the thermal conductivity of various organic liquids, significantly lower than that of the current off-the-shelf classical force field (78%). Furthermore, the MLFF is rewritten using Triton language to maximize simulation speed, enabling rapid prediction of thermal conductivity.

physics.chem-ph↗

arXiv2025

CAMERA: Multi-Matrix Joint Compression for MoE Models via Micro-Expert Redundancy Analysis

Large Language Models (LLMs) with Mixture-of-Experts (MoE) architectures are distinguished by their strong performance scaling with increasing parameters across a wide range of tasks, yet they also suffer from substantial computational and storage overheads. Notably, the performance gains of MoE models do not scale proportionally with the growth in expert parameters. While prior works attempt to reduce parameters via expert-level pruning, merging, or decomposition, they still suffer from challenges in both performance and computational efficiency. In this paper, we address these challenges by introducing micro-expert as a finer-grained compression unit that spans across matrices. We first establish a more fundamental perspective, viewing MoE layers as mixtures of micro-experts, and present CAMERA, a lightweight and training-free framework for identifying micro-expert redundancy. Our analysis uncovers significant variance in micro-expert contributions during decoding. Based on this insight, we further propose CAMERA-P, a structured micro-expert pruning framework, and CAMERA-Q, a mixed-precision quantization idea designed for micro-experts. Extensive experiments on nine downstream tasks show that CAMERA-P consistently outperforms strong baselines under pruning ratios ranging from 20% to 60%. Furthermore, CAMERA-Q achieves superior results under aggressive 2-bit quantization, surpassing existing matrix- and channel-level ideas. Notably, our method enables complete micro-expert analysis of Qwen2-57B-A14B in less than 5 minutes on a single NVIDIA A100-40GB GPU.

cs.CL↗

arXiv2025

Driving with Regulation: Trustworthy and Interpretable Decision-Making for Autonomous Driving with Retrieval-Augmented Reasoning

Understanding and adhering to traffic regulations is essential for autonomous vehicles to ensure safety and trustworthiness. However, traffic regulations are complex, context-dependent, and differ between regions, posing a major challenge to conventional rule-based decision-making approaches. We present an interpretable, regulation-aware decision-making framework, DriveReg, which enables autonomous vehicles to understand and adhere to region-specific traffic laws and safety guidelines. The framework integrates a Retrieval-Augmented Generation (RAG)-based Traffic Regulation Retrieval Agent, which retrieves relevant rules from regulatory documents based on the current situation, and a Large Language Model (LLM)-powered Reasoning Agent that evaluates actions for legal compliance and safety. Our design emphasizes interpretability to enhance transparency and trustworthiness. To support systematic evaluation, we introduce the DriveReg Scenarios Dataset, a comprehensive dataset of driving scenarios across Boston, Singapore, and Los Angeles, with both hypothesized text-based cases and real-world driving data, constructed and annotated to evaluate models' capacity for regulation understanding and reasoning. We validate our framework on the DriveReg Scenarios Dataset and real-world deployment, demonstrating strong performance and robustness across diverse environments.

cs.AI↗

arXiv2025

Generalist Foundation Models Are Not Clinical Enough for Hospital Operations

Hospitals and healthcare systems rely on operational decisions that determine patient flow, cost, and quality of care. Despite strong performance on medical knowledge and conversational benchmarks, foundation models trained on general text may lack the specialized knowledge required for these operational decisions. We introduce Lang1, a family of models (100M-7B parameters) pretrained on a specialized corpus blending 80B clinical tokens from NYU Langone Health's EHRs and 627B tokens from the internet. To rigorously evaluate Lang1 in real-world settings, we developed the REalistic Medical Evaluation (ReMedE), a benchmark derived from 668,331 EHR notes that evaluates five critical tasks: 30-day readmission prediction, 30-day mortality prediction, length of stay, comorbidity coding, and predicting insurance claims denial. In zero-shot settings, both general-purpose and specialized models underperform on four of five tasks (36.6%-71.7% AUROC), with mortality prediction being an exception. After finetuning, Lang1-1B outperforms finetuned generalist models up to 70x larger and zero-shot models up to 671x larger, improving AUROC by 3.64%-6.75% and 1.66%-23.66% respectively. We also observed cross-task scaling with joint finetuning on multiple tasks leading to improvement on other tasks. Lang1-1B effectively transfers to out-of-distribution settings, including other clinical tasks and an external health system. Our findings suggest that predictive capabilities for hospital operations require explicit supervised finetuning, and that this finetuning process is made more efficient by in-domain pretraining on EHR. Our findings support the emerging view that specialized LLMs can compete with generalist models in specialized tasks, and show that effective healthcare systems AI requires the combination of in-domain pretraining, supervised finetuning, and real-world evaluation beyond proxy benchmarks.

cs.CL↗

arXiv2025

EPO: Diverse and Realistic Protein Ensemble Generation via Energy Preference Optimization

Accurate exploration of protein conformational ensembles is essential for uncovering function but remains hard because molecular-dynamics (MD) simulations suffer from high computational costs and energy-barrier trapping. This paper presents Energy Preference Optimization (EPO), an online refinement algorithm that turns a pretrained protein ensemble generator into an energy-aware sampler without extra MD trajectories. Specifically, EPO leverages stochastic differential equation sampling to explore the conformational landscape and incorporates a novel energy-ranking mechanism based on list-wise preference optimization. Crucially, EPO introduces a practical upper bound to efficiently approximate the intractable probability of long sampling trajectories in continuous-time generative models, making it easily adaptable to existing pretrained generators. On Tetrapeptides, ATLAS, and Fast-Folding benchmarks, EPO successfully generates diverse and physically realistic ensembles, establishing a new state-of-the-art in nine evaluation metrics. These results demonstrate that energy-only preference signals can efficiently steer generative models toward thermodynamically consistent conformational ensembles, providing an alternative to long MD simulations and widening the applicability of learned potentials in structural biology and drug discovery.

cs.LG↗

arXiv2025

CoPRIS: Efficient and Stable Reinforcement Learning via Concurrency-Controlled Partial Rollout with Importance Sampling

Reinforcement learning (RL) post-training has become a trending paradigm for enhancing the capabilities of large language models (LLMs). Most existing RL systems for LLMs operate in a fully synchronous manner, where training must wait for the rollout of an entire batch to complete. This design leads to severe inefficiencies, as extremely long trajectories can stall the entire rollout process and leave many GPUs idle. To address this issue, we propose Concurrency- Controlled Partial Rollout with Importance Sampling (CoPRIS), which mitigates long-tail inefficiencies by maintaining a fixed number of concurrent rollouts, early-terminating once sufficient samples are collected, and reusing unfinished trajectories in subsequent rollouts. To mitigate the impact of off-policy trajectories, we introduce Cross-stage Importance Sampling Correction, which concatenates buffered log probabilities from the previous policy with those recomputed under the current policy for importance sampling correction. Experiments on challenging mathematical reasoning benchmarks show that CoPRIS achieves up to 1.94x faster training while maintaining comparable or superior performance to synchronous RL systems. The code of CoPRIS is available at https://github.com/777pomingzi/CoPRIS.

cs.LG↗

arXiv2025

A*-Thought: Efficient Reasoning via Bidirectional Compression for Low-Resource Settings

Large Reasoning Models (LRMs) achieve superior performance by extending the thought length. However, a lengthy thinking trajectory leads to reduced efficiency. Most of the existing methods are stuck in the assumption of overthinking and attempt to reason efficiently by compressing the Chain-of-Thought, but this often leads to performance degradation. To address this problem, we introduce A*-Thought, an efficient tree search-based unified framework designed to identify and isolate the most essential thoughts from the extensive reasoning chains produced by these models. It formulates the reasoning process of LRMs as a search tree, where each node represents a reasoning span in the giant reasoning space. By combining the A* search algorithm with a cost function specific to the reasoning path, it can efficiently compress the chain of thought and determine a reasoning path with high information density and low cost. In addition, we also propose a bidirectional importance estimation mechanism, which further refines this search process and enhances its efficiency beyond uniform sampling. Extensive experiments on several advanced math tasks show that A*-Thought effectively balances performance and efficiency over a huge search space. Specifically, A*-Thought can improve the performance of QwQ-32B by 2.39$\times$ with low-budget and reduce the length of the output token by nearly 50% with high-budget. The proposed method is also compatible with several other LRMs, demonstrating its generalization capability. The code can be accessed at: https://github.com/AI9Stars/AStar-Thought.

cs.CL↗

arXiv2025

A Unified Predictive and Generative Solution for Liquid Electrolyte Formulation

Liquid electrolytes are critical components of next-generation energy storage systems, enabling fast ion transport, minimizing interfacial resistance, and ensuring electrochemical stability for long-term battery performance. However, measuring electrolyte properties and designing formulations remain experimentally and computationally expensive. In this work, we present a unified framework for designing liquid electrolyte formulation, integrating a forward predictive model with an inverse generative approach. Leveraging both computational and experimental data collected from literature and extensive molecular simulations, we train a predictive model capable of accurately estimating electrolyte properties from ionic conductivity to solvation structure. Our physics-informed architecture preserves permutation invariance and incorporates empirical dependencies on temperature and salt concentration, making it broadly applicable to property prediction tasks across molecular mixtures. Furthermore, we introduce -- to the best of our knowledge -- the first generative machine learning framework for molecular mixture design, demonstrated on electrolyte systems. This framework supports multi-condition-constrained generation, addressing the inherently multi-objective nature of materials design. As a proof of concept, we experimentally identified three liquid electrolytes with both high ionic conductivity and anion-concentrated solvation structure. This unified framework advances data-driven electrolyte design and can be readily extended to other complex chemical systems beyond electrolytes.

cond-mat.mtrl-sci↗

arXiv2025

White-box machine learning for uncovering physically interpretable dimensionless governing equations for granular materials

Granular material has significant implications for industrial and geophysical processes. A long-lasting challenge, however, is seeking a unified rheology for its solid- and liquid-like behaviors under quasi-static, inertial, and even unsteady shear conditions. Here, we present a data-driven framework to discover the hidden governing equation of sheared granular materials. The framework, PINNSR-DA, addresses noisy discrete particle data via physics-informed neural networks with sparse regression (PINNSR) and ensures dimensional consistency via machine learning-based dimensional analysis (DA). Applying PINNSR-DA to our discrete element method simulations of oscillatory shear flow, a general differential equation is found to govern the effective friction across steady and transient states. The equation consists of three interpretable terms, accounting respectively for linear response, nonlinear response and energy dissipation of the granular system, and the coefficients depends primarily on a dimensionless relaxation time, which is shorter for stiffer particles and thicker flow layers. This work pioneers a pathway for discovering physically interpretable governing laws in granular systems and can be readily extended to more complex scenarios involving jamming, segregation, and fluid-particle interactions.

cond-mat.soft↗

arXiv2025

InfLLM-V2: Dense-Sparse Switchable Attention for Seamless Short-to-Long Adaptation

Long-sequence processing is a critical capability for modern large language models. However, the self-attention mechanism in the standard Transformer architecture faces severe computational and memory bottlenecks when processing long sequences. While trainable sparse attention methods offer a promising solution, existing approaches such as NSA introduce excessive extra parameters and disrupt the conventional \textit{pretrain-on-short, finetune-on-long} workflow, resulting in slow convergence and difficulty in acceleration. To overcome these limitations, we introduce dense-sparse switchable attention framework, termed as InfLLM-V2. InfLLM-V2 is a trainable sparse attention that seamlessly adapts models from short to long sequences. Specifically, InfLLM-V2 reuses dense attention parameters through parameter-free architecture modification, maintaining consistency between short and long sequence processing. Additionally, InfLLM-V2 ensures computational efficiency across all sequence lengths, by using dense attention for short inputs and smoothly transitioning to sparse attention for long sequences. To achieve practical acceleration, we further introduce an efficient implementation of InfLLM-V2 that significantly reduces the computational overhead. Our experiments on long-context understanding and chain-of-thought reasoning demonstrate that InfLLM-V2 is 4$\times$ faster than dense attention while retaining 98.1% and 99.7% of the performance, respectively. Based on the InfLLM-V2 framework, we have trained and open-sourced MiniCPM4.1 (https://huggingface.co/openbmb/MiniCPM4.1-8B), a hybrid reasoning model, providing a reproducible implementation for the research community.

cs.CL↗

arXiv2025

Process Reinforcement through Implicit Rewards

Dense process rewards have proven a more effective alternative to the sparse outcome-level rewards in the inference-time scaling of large language models (LLMs), particularly in tasks requiring complex multi-step reasoning. While dense rewards also offer an appealing choice for the reinforcement learning (RL) of LLMs since their fine-grained rewards have the potential to address some inherent issues of outcome rewards, such as training efficiency and credit assignment, this potential remains largely unrealized. This can be primarily attributed to the challenges of training process reward models (PRMs) online, where collecting high-quality process labels is prohibitively expensive, making them particularly vulnerable to reward hacking. To address these challenges, we propose PRIME (Process Reinforcement through IMplicit rEwards), which enables online PRM updates using only policy rollouts and outcome labels through implict process rewards. PRIME combines well with various advantage functions and forgoes the dedicated reward model training phrase that existing approaches require, substantially reducing the development overhead. We demonstrate PRIME's effectiveness on competitional math and coding. Starting from Qwen2.5-Math-7B-Base, PRIME achieves a 15.1% average improvement across several key reasoning benchmarks over the SFT model. Notably, our resulting model, Eurus-2-7B-PRIME, surpasses Qwen2.5-Math-7B-Instruct on seven reasoning benchmarks with 10% of its training data.

cs.LG↗

arXiv2025

Cost-Optimal Grouped-Query Attention for Long-Context Modeling

Grouped-Query Attention (GQA) is a widely adopted strategy for reducing the computational cost of attention layers in large language models (LLMs). However, current GQA configurations are often suboptimal because they overlook how context length influences inference cost. Since inference cost grows with context length, the most cost-efficient GQA configuration should also vary accordingly. In this work, we analyze the relationship among context length, model size, GQA configuration, and model loss, and introduce two innovations: (1) we decouple the total head size from the hidden size, enabling more flexible control over attention FLOPs; and (2) we jointly optimize the model size and the GQA configuration to arrive at a better allocation of inference resources between attention layers and other components. Our analysis reveals that commonly used GQA configurations are highly suboptimal for long-context scenarios. More importantly, we propose a recipe for deriving cost-optimal GQA configurations. Our results show that for long-context scenarios, one should use fewer attention heads while scaling up model size. Configurations selected by our recipe can reduce both memory usage and FLOPs by more than 50% compared to Llama-3's GQA, with *no degradation in model capabilities*. Our findings offer valuable insights for designing efficient long-context LLMs. The code is available at https://www.github.com/THUNLP/cost-optimal-gqa .

cs.CL↗

arXiv2025

BurstEngine: an Efficient Distributed Framework for Training Transformers on Extremely Long Sequences of over 1M Tokens

Existing methods for training LLMs on long-sequence data, such as Tensor Parallelism and Context Parallelism, exhibit low Model FLOPs Utilization as sequence lengths and number of GPUs increase, especially when sequence lengths exceed 1M tokens. To address these challenges, we propose BurstEngine, an efficient framework designed to train LLMs on long-sequence data. BurstEngine introduces BurstAttention, an optimized distributed attention with lower communication cost than RingAttention. BurstAttention leverages topology-aware ring communication to fully utilize network bandwidth and incorporates fine-grained communication-computation overlap. Furthermore, BurstEngine introduces sequence-level selective checkpointing and fuses the language modeling head with the loss function to reduce memory cost. Additionally, BurstEngine introduces workload balance optimization for various types of attention masking. By integrating these optimizations, BurstEngine achieves a $1.2\times$ speedup with much lower memory overhead than the state-of-the-art baselines when training LLMs on extremely long sequences of over 1M tokens. We have made our code publicly available on GitHub: https://github.com/thunlp/BurstEngine.

cs.DC↗

arXiv2025

On the algebraic stretching dynamics of variable-density mixing in shock-bubble interaction

The mixing mechanism within a single-vortex has been a theoretical focus for decades, while remains unclear especially under variable-density (VD) scenario. This study investigates canonical single-vortex VD mixing in shock-bubble interactions (SBI) through high-resolution numerical simulations. Special attention is paid to examine the stretching dynamics and its impact on VD mixing within a single-vortex, and this problem is investigated by quantitatively characterizing the scalar dissipation rate (SDR), namely mixing rate, and its time integral, referred to as mixedness. We first examine single-vortex passive-scalar (PS) mixing with the absence of density difference. Under several assumptions, the single-vortex stretching rate illustrates an algebraic growth of the length of scalar strips. By incorporating diffusion process through the solution of the advection-diffusion equation along these stretched strips, a PS mixing model for SDR is proposed. Within this framework, density-gradient effects from two perspectives of stretching dynamics and diffusion process are discovered to challenge the extension of PS mixing model to VD mixing. First, the secondary baroclinic effect increases the VD stretching rate by the additional secondary baroclinic principal strain. Second, the density source effect suppresses the diffusion process. By accounting for both the secondary baroclinic effect on stretching and the density source effect on diffusion, a VD mixing model for SBI is further modified. This model establishes a quantitative relationship between the stretching dynamics and the evolution of the mixing rate and mixedness for single-vortex VD mixing over a broad range of Mach numbers. Furthermore, the essential role of stretching dynamics on the mixing rate is demonstrated by the derived dependence of the time-averaged mixing rate on the Peclet number Pe.

physics.flu-dyn↗

arXiv2025

MiniCPM-V 4.5: Cooking Efficient MLLMs via Architecture, Data, and Training Recipe

Multimodal Large Language Models (MLLMs) are undergoing rapid progress and represent the frontier of AI development. However, their training and inference efficiency have emerged as a core bottleneck in making MLLMs more accessible and scalable. To address the challenges, we present MiniCPM-V 4.5, an 8B parameter model designed for high efficiency and strong performance. We introduce three core improvements in model architecture, data strategy and training method: a unified 3D-Resampler model architecture for highly compact encoding over images and videos, a unified learning paradigm for document knowledge and text recognition without heavy data engineering, and a hybrid reinforcement learning strategy for proficiency in both short and long reasoning modes. Comprehensive experimental results in OpenCompass evaluation show that MiniCPM-V 4.5 surpasses widely used proprietary models such as GPT-4o-latest, and significantly larger open-source models such as Qwen2.5-VL 72B. Notably, the strong performance is achieved with remarkable efficiency. For example, on the widely adopted VideoMME benchmark, MiniCPM-V 4.5 achieves state-of-the-art performance among models under 30B size, using just 46.7\% GPU memory cost and 8.7\% inference time of Qwen2.5-VL 7B.

cs.LG↗

arXiv2025

PATIMT-Bench: A Multi-Scenario Benchmark for Position-Aware Text Image Machine Translation in Large Vision-Language Models

Text Image Machine Translation (TIMT) aims to translate texts embedded within an image into another language. Current TIMT studies primarily focus on providing translations for all the text within an image, while neglecting to provide bounding boxes and covering limited scenarios. In this work, we extend traditional TIMT into position-aware TIMT (PATIMT), aiming to support fine-grained and layoutpreserving translation, which holds great practical value but remains largely unexplored. This task comprises two key sub-tasks: regionspecific translation and full-image translation with grounding. To support existing models on PATIMT and conduct fair evaluation, we construct the PATIMT benchmark (PATIMTBench), which consists of 10 diverse real-world scenarios. Specifically, we introduce an Adaptive Image OCR Refinement Pipeline, which adaptively selects appropriate OCR tools based on scenario and refines the results of text-rich images. To ensure evaluation reliability, we further construct a test set, which contains 1,200 high-quality instances manually annotated and reviewed by human experts. After fine-tuning on our data, compact Large Vision-Language Models (LVLMs) achieve state-of-the-art performance on both sub-tasks. Experimental results also highlight the scalability and generalizability of our training data

cs.CV↗

arXiv2025

MiniCPM4: Ultra-Efficient LLMs on End Devices

This paper introduces MiniCPM4, a highly efficient large language model (LLM) designed explicitly for end-side devices. We achieve this efficiency through systematic innovation in four key dimensions: model architecture, training data, training algorithms, and inference systems. Specifically, in terms of model architecture, we propose InfLLM v2, a trainable sparse attention mechanism that accelerates both prefilling and decoding phases for long-context processing. Regarding training data, we propose UltraClean, an efficient and accurate pre-training data filtering and generation strategy, and UltraChat v2, a comprehensive supervised fine-tuning dataset. These datasets enable satisfactory model performance to be achieved using just 8 trillion training tokens. Regarding training algorithms, we propose ModelTunnel v2 for efficient pre-training strategy search, and improve existing post-training methods by introducing chunk-wise rollout for load-balanced reinforcement learning and data-efficient tenary LLM, BitCPM. Regarding inference systems, we propose CPM.cu that integrates sparse attention, model quantization, and speculative sampling to achieve efficient prefilling and decoding. To meet diverse on-device requirements, MiniCPM4 is available in two versions, with 0.5B and 8B parameters, respectively. Furthermore, we construct a hybrid reasoning model, MiniCPM4.1, which can be used in both deep reasoning mode and non-reasoning mode. Evaluation results demonstrate that MiniCPM4 and MiniCPM4.1 outperform similar-sized open-source models across benchmarks, with the 8B variants showing significant speed improvements on long sequence understanding and generation.

cs.CL↗