Yuzhi Zhang

Zhenyu Zhong, Qiliang Fan, Jiacheng Zhang et al.

Internet-based services have seen remarkable success, generating vast amounts of monitored key performance indicators (KPIs) as univariate or multivariate time series. Monitoring and analyzing these time series are crucial for researchers, service operators, and on-call engineers to detect outliers or anomalies indicating service failures or significant events. Numerous advanced anomaly detection methods have emerged to address availability and performance issues. This review offers a comprehensive overview of time series anomaly detection in Artificial Intelligence for IT operations (AIOps), which uses AI capabilities to automate and optimize operational workflows. Additionally, it explores future directions for real-world and next-generation time-series anomaly detection based on recent advancements.

Xinyu Zhu, Yuzhu Cai, Zexi Liu et al.

The convergence of large language models and agents is catalyzing a new era of scientific discovery: Agentic Science. While the scientific method is inherently iterative, existing agent frameworks are predominantly static, narrowly scoped, and lack the capacity to learn from trial and error. To bridge this gap, we present EvoMaster, a foundational evolving agent framework engineered specifically for Agentic Science at Scale. Driven by the core principle of continuous self-evolution, EvoMaster empowers agents to iteratively refine hypotheses, self-critique, and progressively accumulate knowledge across experimental cycles, faithfully mirroring human scientific inquiry. Crucially, as a domain-agnostic base harness, EvoMaster is exceptionally easy to scale up -- enabling developers to build and deploy highly capable, self-evolving scientific agents for arbitrary disciplines in approximately 100 lines of code. Built upon EvoMaster, we incubated the SciMaster ecosystem across domains such as machine learning, physics, and general science. Evaluations on four authoritative benchmarks (Humanity's Last Exam, MLE-Bench Lite, BrowseComp, and FrontierScience) demonstrate that EvoMaster achieves state-of-the-art scores of 41.1%, 75.8%, 73.3%, and 53.3%, respectively. It comprehensively outperforms the general-purpose baseline OpenClaw with relative improvements ranging from +159% to +316%, robustly validating its efficacy and generality as the premier foundational framework for the next generation of autonomous scientific discovery. EvoMaster is available at https://github.com/sjtu-sai-agents/EvoMaster.

Cheng Gong, Yao Chen, Qiuyang Luo et al.

Multi-exit network is a promising architecture for efficient model inference by sharing backbone networks and weights among multiple exits. However, the gradient conflict of the shared weights results in sub-optimal accuracy. This paper introduces Deep Feature Surgery (\methodname), which consists of feature partitioning and feature referencing approaches to resolve gradient conflict issues during the training of multi-exit networks. The feature partitioning separates shared features along the depth axis among all exits to alleviate gradient conflict while simultaneously promoting joint optimization for each exit. Subsequently, feature referencing enhances multi-scale features for distinct exits across varying depths to improve the model accuracy. Furthermore, \methodname~reduces the training operations with the reduced complexity of backpropagation. Experimental results on Cifar100 and ImageNet datasets exhibit that \methodname~provides up to a \textbf{50.00\%} reduction in training time and attains up to a \textbf{6.94\%} enhancement in accuracy when contrasted with baseline methods across diverse models and tasks. Budgeted batch classification evaluation on MSDNet demonstrates that DFS uses about $\mathbf{2}\boldsymbol{\times}$ fewer average FLOPs per image to achieve the same classification accuracy as baseline methods on Cifar100. The code is available at https://github.com/GongCheng1919/dfs.

Yuwen Du, Tian Jin, Jing Kang et al.

As large language models reshape scientific research, literature retrieval faces a twofold challenge: ensuring source authenticity while maintaining a deep comprehension of academic search intents. While reliable, traditional keyword-centric search fails to capture complex research intents. Frontier LLMs can handle complex research intents, but their high cost and tendency to hallucinate remain key limitations. Here we introduce PaSaMaster, a self-evolving agentic literature retrieval system that produces relevance-scored paper rankings with evidence-grounded recommendations through iterative intent analysis, retrieval, and ranking. It is built on three key designs. First, it transforms literature retrieval from a one shot query--document matching problem into a search process that evolves over time, using ranked evidence to reveal gaps, refine intents, and guide follow-up searches. Second, it prevents hallucinated sources by treating retrieval as intent--paper relevance ranking rather than generation. Finally, PaSaMaster improves cost efficiency by separating planning from retrieval: a frontier LLM is used only for intent understanding, while large scale retrieval and relevance scoring are delegated to customized corpora and lightweight models. Evaluated on the PaSaMaster Benchmark across 38 scientific disciplines, our system exposes the severe inaccuracy and incompleteness of traditional keyword retrieval (improving F1-score by 15.6X) and the unreliability of generative LLMs (which exhibit hallucination rates up to 37.79%). Remarkably, PaSaMaster outperforms GPT-5.2 by 30.0% at a mere 1% of the computational cost while ensuring zero source hallucination: https://github.com/sjtu-sai-agents/PaSaMaster

Zhemeng Zhang, Jiahua Ma, Xincheng Yang et al.

Fine-grained and contact-rich manipulation remain challenging for robots, largely due to the underutilization of tactile feedback. To address this, we introduce TouchGuide, a novel cross-policy visuo-tactile fusion paradigm that fuses modalities within a low-dimensional action space. Specifically, TouchGuide operates in two stages to guide a pre-trained diffusion or flow-matching visuomotor policy at inference time. First, the policy produces a coarse, visually-plausible action using only visual inputs during early sampling. Second, a task-specific Contact Physical Model (CPM) provides tactile guidance to steer and refine the action, ensuring it aligns with realistic physical contact conditions. Trained through contrastive learning on limited expert demonstrations, the CPM provides a tactile-informed feasibility score to steer the sampling process toward refined actions that satisfy physical contact constraints. Furthermore, to facilitate TouchGuide training with high-quality and cost-effective data, we introduce TacUMI, a data collection system. TacUMI achieves a favorable trade-off between precision and affordability; by leveraging rigid fingertips, it obtains direct tactile feedback, thereby enabling the collection of reliable tactile data. Extensive experiments on five challenging contact-rich tasks, such as shoe lacing and chip handover, show that TouchGuide consistently and significantly outperforms state-of-the-art visuo-tactile policies.

Xinyu Zhu, Yuzhu Cai, Zexi Liu et al.

The advancement of artificial intelligence toward agentic science is currently bottlenecked by the challenge of ultra-long-horizon autonomy, the ability to sustain strategic coherence and iterative correction over experimental cycles spanning days or weeks. While Large Language Models (LLMs) have demonstrated prowess in short-horizon reasoning, they are easily overwhelmed by execution details in the high-dimensional, delayed-feedback environments of real-world research, failing to consolidate sparse feedback into coherent long-term guidance. Here, we present ML-Master 2.0, an autonomous agent that masters ultra-long-horizon machine learning engineering (MLE) which is a representative microcosm of scientific discovery. By reframing context management as a process of cognitive accumulation, our approach introduces Hierarchical Cognitive Caching (HCC), a multi-tiered architecture inspired by computer systems that enables the structural differentiation of experience over time. By dynamically distilling transient execution traces into stable knowledge and cross-task wisdom, HCC allows agents to decouple immediate execution from long-term experimental strategy, effectively overcoming the scaling limits of static context windows. In evaluations on OpenAI's MLE-Bench under 24-hour budgets, ML-Master 2.0 achieves a state-of-the-art medal rate of 56.44%. Our findings demonstrate that ultra-long-horizon autonomy provides a scalable blueprint for AI capable of autonomous exploration beyond human-precedent complexities.

Tingjia Miao, Wenkai Jin, Muhua Zhang et al.

The paradigm of agentic science requires AI systems to conduct robust reasoning and engage in long-horizon, autonomous exploration. However, current scientific benchmarks remain confined to domain knowledge comprehension and complex reasoning, failing to evaluate the exploratory nature and procedural complexity of real-world research. In this work, we present research-oriented evaluations in theoretical and computational physics, a natural testbed with comprehensive domain knowledge, complex reasoning, and verifiable end-to-end workflows without reliance on experiments. Here we introduce PRL-Bench (Physics Research by LLMs), a benchmark designed to systematically map the capability boundaries of LLMs in executing end-to-end physics research. Constructed from 100 curated papers from the latest issues of Physical Review Letters since August 2025 and validated by domain experts, PRL-Bench covers five major theory- and computation-intensive subfields of modern physics: astrophysics, condensed matter physics, high-energy physics, quantum information, and statistical physics. Each task in the benchmark is designed to replicate the core properties of authentic scientific research, including exploration-oriented formulation, long-horizon workflows, and objective verifiability, thereby reconstructing the essential reasoning processes and research workflows of real physics research. Evaluation across frontier models shows that performance remains limited, with the best overall score below 50, revealing a pronounced gap between current LLM capabilities and the demands of real scientific research. PRL-Bench serves a reliable testbed for accessing next generation AI scientists advancing AI systems toward autonomous scientific discovery.

Jingyi Chai, Shuo Tang, Rui Ye et al.

The rapid advancements of AI agents have ignited the long-held ambition of leveraging them to accelerate scientific discovery. Achieving this goal requires a deep understanding of the frontiers of human knowledge. As such, Humanity's Last Exam (HLE) provides an exceptionally challenging touchstone for evaluating scientific AI agents. In this work, we aim to construct the foundational architecture for general-purpose agents and validate the capabilities through leading performance on HLE. To achieve this, we introduce X-Master, a tool-augmented reasoning agent designed to emulate human researchers by interacting flexibly with external tools during its reasoning process. This agent, guided by the conceptualization of code as an interaction language, can flexibly leverage built-in Python libraries and our customized tools to augment the reasoning. We further scale its capabilities through X-Masters, a scattered-and-stacked agentic workflow that systematically enhances breadth and depth of reasoning. Our open-source solution, X-Masters, sets a new state-of-the-art record on HLE with a score of 32.1%, surpassing OpenAI's and Google's Deep Research (26.6% and 26.9%) and becoming the first to exceed the 30% threshold. This work allows us to gain a deeper understanding of complex task-solving and accumulates valuable experience that can inform future advancements, guiding subsequent model training.

Linfeng Zhang, Siheng Chen, Yuzhu Cai et al.

AI agents are emerging as a practical way to run multi-step scientific workflows that interleave reasoning with tool use and verification, pointing to a shift from isolated AI-assisted steps toward \emph{agentic science at scale}. This shift is increasingly feasible, as scientific tools and models can be invoked through stable interfaces and verified with recorded execution traces, and increasingly necessary, as AI accelerates scientific output and stresses the peer-review and publication pipeline, raising the bar for traceability and credible evaluation. However, scaling agentic science remains difficult: workflows are hard to observe and reproduce; many tools and laboratory systems are not agent-ready; execution is hard to trace and govern; and prototype AI Scientist systems are often bespoke, limiting reuse and systematic improvement from real workflow signals. We argue that scaling agentic science requires an infrastructure-and-ecosystem approach, instantiated in Bohrium+SciMaster. Bohrium acts as a managed, traceable hub for AI4S assets -- akin to a HuggingFace of AI for Science -- that turns diverse scientific data, software, compute, and laboratory systems into agent-ready capabilities. SciMaster orchestrates these capabilities into long-horizon scientific workflows, on which scientific agents can be composed and executed. Between infrastructure and orchestration, a \emph{scientific intelligence substrate} organizes reusable models, knowledge, and components into executable building blocks for workflow reasoning and action, enabling composition, auditability, and improvement through use. We demonstrate this stack with eleven representative master agents in real workflows, achieving orders-of-magnitude reductions in end-to-end scientific cycle time and generating execution-grounded signals from real workloads at multi-million scale.

Boshen Zeng, Sian Chen, Xinxin Liu et al.

Advancements in lithium battery technology heavily rely on the design and engineering of electrolytes. However, current schemes for molecular design and recipe optimization of electrolytes lack an effective computational-experimental closed loop and often fall short in accurately predicting diverse electrolyte formulation properties. In this work, we introduce Uni-ELF, a novel multi-level representation learning framework to advance electrolyte design. Our approach involves two-stage pretraining: reconstructing three-dimensional molecular structures at the molecular level using the Uni-Mol model, and predicting statistical structural properties (e.g., radial distribution functions) from molecular dynamics simulations at the mixture level. Through this comprehensive pretraining, Uni-ELF is able to capture intricate molecular and mixture-level information, which significantly enhances its predictive capability. As a result, Uni-ELF substantially outperforms state-of-the-art methods in predicting both molecular properties (e.g., melting point, boiling point, synthesizability) and formulation properties (e.g., conductivity, Coulombic efficiency). Moreover, Uni-ELF can be seamlessly integrated into an automatic experimental design workflow. We believe this innovative framework will pave the way for automated AI-based electrolyte design and engineering.

Haoming Yan, Xinyu Chen, Yanran Wang et al.

The discovery of effective molecular modulators is essential for advancing perovskite solar cells (PSCs), but the research process is hindered by the vastness of chemical space and the time-consuming and expensive trial-and-error experimental screening. Concurrently, machine learning (ML) offers significant potential for accelerating materials discovery. However, applying ML to PSCs remains a major challenge due to data scarcity and limitations of traditional quantitative structure-property relationship (QSPR) models. Here, we apply a chemical informed transfer learning framework based on pre-trained deep neural networks, which achieves high accuracy in predicting the molecular modulator's effect on the power conversion efficiency (PCE) of PSCs. This framework is established through systematical benchmarking of diverse molecular representations, enabling lowcost and high-throughput virtual screening over 79,043 commercially available molecules. Furthermore, we leverage interpretability techniques to visualize the learned chemical representation and experimentally characterize the resulting modulator-perovskite interactions. The top molecular modulators identified by the framework are subsequently validated experimentally, delivering a remarkably improved champion PCE of 26.91% in PSCs.

Tingjia Miao, Jiawen Dai, Jingkun Liu et al.

Advances in LLMs have produced agents with knowledge and operational capabilities comparable to human scientists, suggesting potential to assist, accelerate, and automate research. However, existing studies mainly evaluate such systems on well-defined benchmarks or general tasks like literature retrieval, limiting their end-to-end problem-solving ability in open scientific scenarios. This is particularly true in physics, which is abstract, mathematically intensive, and requires integrating analytical reasoning with code-based computation. To address this, we propose PhysMaster, an LLM-based agent functioning as an autonomous theoretical and computational physicist. PhysMaster couples absract reasoning with numerical computation and leverages LANDAU, the Layered Academic Data Universe, which preserves retrieved literature, curated prior knowledge, and validated methodological traces, enhancing decision reliability and stability. It also employs an adaptive exploration strategy balancing efficiency and open-ended exploration, enabling robust performance in ultra-long-horizon tasks. We evaluate PhysMaster on problems from high-energy theory, condensed matter theory to astrophysics, including: (i) acceleration, compressing labor-intensive research from months to hours; (ii) automation, autonomously executing hypothesis-driven loops ; and (iii) autonomous discovery, independently exploring open problems.

Cheng Gong, Haoshuai Zheng, Mengting Hu et al.

Quantization is a promising method that reduces memory usage and computational intensity of Deep Neural Networks (DNNs), but it often leads to significant output error that hinder model deployment. In this paper, we propose Bias Compensation (BC) to minimize the output error, thus realizing ultra-low-precision quantization without model fine-tuning. Instead of optimizing the non-convex quantization process as in most previous methods, the proposed BC bypasses the step to directly minimize the quantizing output error by identifying a bias vector for compensation. We have established that the minimization of output error through BC is a convex problem and provides an efficient strategy to procure optimal solutions associated with minimal output error,without the need for training or fine-tuning. We conduct extensive experiments on Vision Transformer models and Large Language Models, and the results show that our method notably reduces quantization output error, thereby permitting ultra-low-precision post-training quantization and enhancing the task performance of models. Especially, BC improves the accuracy of ViT-B with 4-bit PTQ4ViT by 36.89% on the ImageNet-1k task, and decreases the perplexity of OPT-350M with 3-bit GPTQ by 5.97 on WikiText2.The code is in https://github.com/GongCheng1919/bias-compensation.

Chen Wang, Lai Wei, Yanzhi Zhang et al.

Recent advances in reinforcement learning (RL) have significantly enhanced the reasoning capabilities of large language models (LLMs). Group Relative Policy Optimization (GRPO), a lightweight variant of Proximal Policy Optimization (PPO), improves efficiency but suffers from limited exploration and training instability, limiting its effectiveness on complex reasoning tasks. To address these challenges, we introduce EFRame, an Exploration-Filter-Replay framework that augments GRPO across three dimensions: additional rollouts enable deeper and more targeted exploration, online filtering removes low-quality samples to stabilize gradients and accelerate training, and experience replay amplifies rare yet informative trajectories for stable convergence. This unified framework establishes a principled training cycle that balances exploration, efficiency, and stability. Experiments on diverse reasoning benchmarks demonstrate that EFRame achieves consistent gains, including a 37.9\% relative improvement on Geometry3K over GRPO. EFRame further supports fine-grained sample categorization and precise entropy control, highlighting it as a robust solution for advancing deeper reasoning in LLMs. Our code is available at https://github.com/597358816/EFRame.

E Fan, Kang Hu, Zhuowen Wu et al.

Computational Fluid Dynamics (CFD) is essential for advancing scientific and engineering fields but is hindered by operational complexity, high expertise requirements, and limited accessibility. This paper introduces ChatCFD, an automated agent system for OpenFOAM simulations that processes multi-modal inputs (e.g., research papers, meshes) via an interactive interface, leveraging DeepSeek-R1 and DeepSeek-V3 large language models, a multi-agent architecture, and OpenFOAM knowledge. Its four-stage pipeline (Knowledge Base Construction, User Input Processing, Case File Generation, and Execution and Error Reflection) enables iterative trial-reflection-refinement for intricate setups, supporting diverse physical models and external meshes. Validation on 205 benchmark tutorial cases, 110 perturbed variants, and 2 literature-derived cases shows ChatCFD's 82.1 percent operational success rate on basic cases, outperforming MetaOpenFOAM (6.2 percent) and Foam-Agent (42.3 percent), and 60-80 percent on literature-derived complex cases. Turbulence model studies show a 40 percent success rate for common models versus 10 percent for rare ones like RNG k-epsilon. Physics coupling analyses reveal higher resource demands for multi-physics-coupled cases, while LLM bias toward simpler setups introduces persistent errors, such as dimensional inconsistency. Ablation studies highlight the efficacy of RAG-based modules and reflection mechanisms. By automating hypothesis testing and parameter exploration, ChatCFD accelerates scientific discovery in fluid mechanics and engineering, addressing LLM limitations through structured design and showing strong potential as a modular component in MCP-based agent networks for collaborative multi-agent systems, paving the way for scalable AI-driven CFD innovation. The code for ChatCFD is available at https://github.com/ConMoo/ChatCFD.

Chuanyue Yu, Kuo Zhao, Yuhan Li et al.

Graph Retrieval-Augmented Generation (GraphRAG) has shown great effectiveness in enhancing the reasoning abilities of LLMs by leveraging graph structures for knowledge representation and modeling complex real-world relationships. However, existing GraphRAG methods still face significant bottlenecks when handling complex problems that require multi-hop reasoning, as their query and retrieval phases are largely based on pre-defined heuristics and do not fully utilize the reasoning potentials of LLMs. To address this problem, we propose GraphRAG-R1, an adaptive GraphRAG framework by training LLMs with process-constrained outcome-based reinforcement learning (RL) to enhance the multi-hop reasoning ability. Our method can decompose complex problems, autonomously invoke retrieval tools to acquire necessary information, and perform effective reasoning. Specifically, we utilize a modified version of Group Relative Policy Optimization (GRPO) that supports rollout-with-thinking capability. Next, we design two process-constrained reward functions. To handle the shallow retrieval problem, we design a Progressive Retrieval Attenuation (PRA) reward to encourage essential retrievals. Then, to handle the over-thinking problem, we design Cost-Aware F1 (CAF) reward to balance the model performance with computational costs. We further design a phase-dependent training strategy, containing three training stages corresponding to cold start and these two rewards. Lastly, our method adopts a hybrid graph-textual retrieval to improve the reasoning capacity. Extensive experimental results demonstrate that GraphRAG-R1 boosts LLM capabilities in solving complex reasoning problems compared to state-of-the-art GraphRAG methods on both in-domain and out-of-domain datasets. Furthermore, our framework can be flexibly integrated with various existing retrieval methods, consistently delivering performance improvements.

Congcong Li, Jin Wang, Xiaomeng Wang et al.

3D car modeling is crucial for applications in autonomous driving systems, virtual and augmented reality, and gaming. However, due to the distinctive properties of cars, such as highly reflective and transparent surface materials, existing methods often struggle to achieve accurate 3D car reconstruction.To address these limitations, we propose Car-GS, a novel approach designed to mitigate the effects of specular highlights and the coupling of RGB and geometry in 3D geometric and shading reconstruction (3DGS). Our method incorporates three key innovations: First, we introduce view-dependent Gaussian primitives to effectively model surface reflections. Second, we identify the limitations of using a shared opacity parameter for both image rendering and geometric attributes when modeling transparent objects. To overcome this, we assign a learnable geometry-specific opacity to each 2D Gaussian primitive, dedicated solely to rendering depth and normals. Third, we observe that reconstruction errors are most prominent when the camera view is nearly orthogonal to glass surfaces. To address this issue, we develop a quality-aware supervision module that adaptively leverages normal priors from a pre-trained large-scale normal model.Experimental results demonstrate that Car-GS achieves precise reconstruction of car surfaces and significantly outperforms prior methods. The project page is available at https://lcc815.github.io/Car-GS.

Qiuyi Qu, Yicheng Sui, Yufei Sun et al.

GPU code optimization is a key performance bottleneck for HPC workloads as well as large-model training and inference. Although compiler optimizations and hand-written kernels can partially alleviate this issue, achieving near-hardware-limit performance still relies heavily on manual code refactoring and parameter tuning. Recent progress in LLM-agent-based kernel generation and optimization has been reported, yet many approaches primarily focus on direct code rewriting, where parameter choices are often implicit and hard to control, or require human intervention, leading to unstable performance gains. This paper introduces a template-based rewriting layer on top of an agent-driven iterative loop: kernels are semantically refactored into explicitly parameterizable templates, and template parameters are then optimized via search-based autotuning, yielding more stable and higher-quality speedups. Experiments on a set of real-world kernels demonstrate speedups exceeding 3x in the best case. We extract representative CUDA kernels from SGLang as evaluation targets; the proposed agentic tuner iteratively performs templating, testing, analysis, and planning, and leverages profiling feedback to execute constrained parameter search under hardware resource limits. Compared to agent-only direct rewriting, the template-plus-search design significantly reduces the randomness of iterative optimization, making the process more interpretable and enabling a more systematic approach toward high-performance configurations. The proposed method can be further extended to OpenCL, HIP, and other backends to deliver automated performance optimization for real production workloads.

Chen Wang, Zhaochun Li, Jionghao Bai et al.

Reinforcement fine-tuning (RFT) is essential for enhancing the reasoning capabilities of large language models (LLM), yet the widely adopted Group Relative Policy Optimization (GRPO) suffers from entropy collapse, where entropy monotonically decreases, exploration vanishes, and policies converge prematurely. Existing entropy-regularized methods only partially alleviate this issue while introducing bias and instability, leaving entropy control unresolved and the connection between entropy, exploration, and performance unclear. We propose Arbitrary Entropy Policy Optimization (AEPO), which eliminates entropy collapse by replacing entropy bonuses with REINFORCE policy gradient on temperature-adjusted distributions and stabilizing entropy through temperature regulation. AEPO integrates three key designs: policy gradient as regularization, distribution as regularization, and REINFORCE as regularization, enabling precise entropy control without distorting optimization. Experiments demonstrate three major contributions: AEPO (1) stabilizes entropy at arbitrary target levels, effectively removing collapse in GRPO; (2) reveals a non-monotonic relation where performance first improves then declines with increasing entropy, clarifying the link between entropy, exploration, and reasoning; and (3) generalizes beyond entropy, providing a broader RFT paradigm where superior target distributions can serve as REINFORCE regularizers.