AutoDFT: A Closed-Loop Multi-Agent Framework for Autonomous DFT Calculations

Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when unexpected physics emerges, and inserting steps as intermediate results reshape the problem. Existing LLM-based agents automate only the initial planning stage, producing a full execution plan upfront and leaving all subsequent adaptation to hand-crafted rules. As a result, these workflows remain fragile, do not generalize well beyond pre-planned scenarios, and often require expert intervention when failures or unexpected intermediate results require changes to the calculation path. Here, we introduce AutoDFT, a closed-loop multi-agent framework that embeds LLM reasoning into every stage of the DFT lifecycle, where a strategic planner produces a skeletal plan of step objectives; a step planner generates numerical parameters just in time from preceding results; and a monitor-recover-reflect cycle diagnoses failures, repairs them, and revises the plan when the evidence justifies it. We demonstrate both breadth and depth: breadth on VASPBench, a purpose-built benchmark spanning 34 tasks and 9 DFT calculation types, where AutoDFT achieves 94.1% task-level success with GPT-5.2; and depth on established materials databases, where AutoDFT produces quantitatively reliable property predictions across electronic, magnetic, and energetic properties. By closing the loop between planning and execution, AutoDFT enables experimentalists without deep computational expertise to obtain reliable first-principles results.

AgentFugue: Agent Scaling for Long-Horizon Tasks through Collective Reasoning

Recent progress on long-horizon agentic tasks has been driven largely by scaling up individual agents through stronger models, better tools, and more effective scaffolding. In contrast, much less is understood about scaling out: whether multiple peer agents, all targeting the same task, can become an additional source of capability without relying on explicit role specialization or workflow orchestration. We study this question and propose AgentFugue, a collective reasoning framework built around a shared reasoning hub. As peer agents explore the same task in parallel, the hub records concise notes on what each agent has established, attempted, or ruled out, and enables each agent to selectively access what other agents have discovered in a form useful for its current search. This design turns otherwise isolated trajectories into a connected ecology of reusable intermediate reasoning without requiring centralized planning. We instantiate the hub as a plug-in communication layer, trained with supervised fine-tuning and end-to-end reinforcement learning. Across the challenging long-horizon settings we study, AgentFugue improves over strong baselines. Our results suggest that collective reasoning can turn scaling out peer agent systems into a distinct source of capability gains, rather than merely a way of spending more compute.

SAM: State-Adaptive Memory for Long-Horizon Reasoning Agent

Long-horizon agentic reasoning requires large language models to act over long interaction histories containing thoughts, tool calls, observations, and partial conclusions. The challenge is not merely that these histories grow long, but that information needed for the current decision may be scattered across distant steps and only become relevant later. Existing approaches address this difficulty by truncating the interaction history, compressing it into shorter surrogates, or retrieving selected parts of it for reuse, but they do not explicitly model how access to past interaction should adapt to the agent's evolving state. We instead cast long-horizon reasoning as a problem of state-adaptive memory. To this end, we propose State-Adaptive Memory~(SAM), a standalone framework that consolidates ongoing interaction into compact memory cues while preserving raw trajectory pages for intent-driven recall. These cues are not treated as replacements for history; rather, they serve as lightweight handles that allow the agent to reconstruct temporally distant information according to its current needs, without retraining the underlying backbone. We further optimize the memory module through expert-guided supervision and reinforcement learning, aligning it with trajectory-level utility. Across BrowseComp, BrowseComp-ZH, WideSearch, and HLE, SAM consistently outperforms strong baselines over diverse agent backbones. Our results suggest that explicit memory modeling provides a simple and effective foundation for long-horizon agentic reasoning.

Novel GPU Boruta algorithms for feature selection from high-dimensional data

Most feature selection algorithms, especially wrapper methods, run inefficiently on CPU based platforms because of their high computational complexity. This inefficiency makes them unsuitable for processing large scale datasets. To address this challenge, the present study proposed two GPU accelerated versions of the Boruta feature selection procedure, in which Boruta-Permut relies on permutation based feature importance and Boruta-TreeImp employs importance based on impurity reduction. To evaluate these methods we conducted experiments on both a self constructed dataset and several publicly available datasets. The experimental results show that the proposed GPU accelerated algorithms greatly improve computational efficiency while preserving feature selection accuracy comparable to the original Boruta algorithm. In our analysis we also observe that the impurity reduction based version can overestimate the importance of some features. Overall these findings suggest that performing Boruta feature selection on GPUs offers an effective and cost efficient solution for large scale data analysis, which is a good deal.

AutoResearchBench: Benchmarking AI Agents on Complex Scientific Literature Discovery

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to acquire evidence for verifying assumptions and supporting claims. To assess AI agents' capability in driving this process, we present AutoResearchBench, a dedicated benchmark for autonomous scientific literature discovery. AutoResearchBench consists of two complementary task types: (1) Deep Research, which requires tracking down a specific target paper through a progressive, multi-step probing process, and (2) Wide Research, which requires comprehensively collecting a set of papers satisfying given conditions. Compared to previous benchmarks on agentic web browsing, AutoResearchBench is distinguished along three dimensions: it is research-oriented, calling for in-depth comprehension of scientific concepts; literature-focused, demanding fine-grained utilization of detailed information; and open-ended, involving an unknown number of qualified papers and thus requiring deliberate reasoning and search throughout. These properties make AutoResearchBench uniquely suited for evaluating autonomous research capabilities, and extraordinarily challenging. Even the most powerful LLMs, despite having largely conquered general agentic web-browsing benchmarks such as BrowseComp, achieve only 9.39% accuracy on Deep Research and 9.31% IoU on Wide Research, while many other strong baselines fall below 5%. We publicly release the dataset and evaluation pipeline to facilitate future research in this direction. We publicly release the dataset, evaluation pipeline, and code at https://github.com/CherYou/AutoResearchBench.

LiteResearcher: A Scalable Agentic RL Training Framework for Deep Research Agent

Reinforcement Learning (RL) has emerged as a powerful training paradigm for LLM-based agents. However, scaling agentic RL for deep research remains constrained by two coupled challenges: hand-crafted synthetic data fails to elicit genuine real-world search capabilities, and real-world search dependency during RL training introduces instability and prohibitive cost, which limits the scalability of Agentic RL. LiteResearcher is a training framework that makes Agentic RL scalable: by constructing a lite virtual world that mirrors real-world search dynamics, we enable a continuously improving training recipe that empowers a tiny search agent to outperform large-scale open-source and commercial models (e.g., Tongyi DeepResearch and Claude-4.5 Sonnet). Specifically, on common benchmarks such as GAIA and Xbench, our LiteResearcher-4B achieves open-source state-of-the-art results of 71.3% and 78.0% respectively, demonstrating that scalable RL training is a key enabler for Deep Research Agents.

Physics-Informed Machine Learning for Pouch Cell Temperature Estimation

Accurate temperature estimation of pouch cells with indirect liquid cooling is essential for optimizing battery thermal management systems for transportation electrification. However, it is challenging due to the computational expense of finite element simulations and the limitations of data-driven models. This paper presents a physics-informed machine learning (PIML) framework for the efficient and reliable estimation of steady-state temperature profiles. The PIML approach integrates the governing heat transfer equations directly into the neural network's loss function, enabling high-fidelity predictions with significantly faster convergence than purely data-driven methods. The framework is evaluated on a dataset of varying cooling channel geometries. Results demonstrate that the PIML model converges more rapidly and achieves markedly higher accuracy, with a 49.1% reduction in mean squared error over the data-driven model. Validation against independent test cases further confirms its superior performance, particularly in regions away from the cooling channels. These findings underscore the potential of PIML for surrogate modeling and design optimization in battery systems.

Physics-Grounded Monocular Vehicle Distance Estimation Using Standardized License Plate Typography

Accurate inter-vehicle distance estimation is a cornerstone of Advanced Driver Assistance Systems (ADAS) and autonomous driving. While LiDAR and radar provide high precision, their high cost prohibits widespread adoption in mass-market vehicles. Monocular camera-based estimation offers a low-cost alternative but suffers from fundamental scale ambiguity. Recent deep learning methods for monocular depth achieve impressive results yet require expensive supervised training, suffer from domain shift, and produce predictions that are difficult to certify for safety-critical deployment. This paper presents a framework that exploits the standardized typography of United States license plates as passive fiducial markers for metric ranging, resolving scale ambiguity through explicit geometric priors without any training data or active illumination. First, a four-method parallel plate detector achieves robust plate reading across the full automotive lighting range. Second, a three-stage state identification engine fusing OCR text matching, multi-design color scoring, and a lightweight neural network classifier provides robust identification across all ambient conditions. Third, hybrid depth fusion with inverse-variance weighting and online scale alignment, combined with a one-dimensional constant-velocity Kalman filter, delivers smoothed distance, relative velocity, and time-to-collision for collision warning. Baseline validation reproduces a 2.3% coefficient of variation in character height measurements and a 36% reduction in distance-estimate variance compared with plate-width methods from prior work. Extensive outdoor experiments confirm a mean absolute error of 2.3% at 10 m and continuous distance output during brief plate occlusions, outperforming deep learning baselines by a factor of five in relative error.

C-ReD: A Comprehensive Chinese Benchmark for AI-Generated Text Detection Derived from Real-World Prompts

Recently, large language models (LLMs) are capable of generating highly fluent textual content. While they offer significant convenience to humans, they also introduce various risks, like phishing and academic dishonesty. Numerous research efforts have been dedicated to developing algorithms for detecting AI-generated text and constructing relevant datasets. However, in the domain of Chinese corpora, challenges remain, including limited model diversity and data homogeneity. To address these issues, we propose C-ReD: a comprehensive Chinese Real-prompt AI-generated Detection benchmark. Experiments demonstrate that C-ReD not only enables reliable in-domain detection but also supports strong generalization to unseen LLMs and external Chinese datasets-addressing critical gaps in model diversity, domain coverage, and prompt realism that have limited prior Chinese detection benchmarks. We release our resources at https://github.com/HeraldofLight/C-ReD.

PaperScope: A Multi-Modal Multi-Document Benchmark for Agentic Deep Research Across Massive Scientific Papers

Leveraging Multi-modal Large Language Models (MLLMs) to accelerate frontier scientific research is promising, yet how to rigorously evaluate such systems remains unclear. Existing benchmarks mainly focus on single-document understanding, whereas real scientific workflows require integrating evidence from multiple papers, including their text, tables, and figures. As a result, multi-modal, multi-document scientific reasoning remains underexplored and lacks systematic evaluation. To address this gap, we introduce PaperScope, a multi-modal multi-document benchmark designed for agentic deep research. PaperScope presents three advantages: (1) Structured scientific grounding. It is built on a knowledge graph of over 2,000 AI papers spanning three years, providing a structured foundation for research-oriented queries. (2) Semantically dense evidence construction. It integrates semantically related key information nodes and employs optimized random-walk article selector to sample thematically coherent paper sets, thereby ensuring adequate semantic density and task complexity. (3) Multi-task evaluation of scientific reasoning. It contains over 2,000 QA pairs across reasoning, retrieval, summarization, and problem solving, enabling evaluation of multi-step scientific reasoning. Experimental results show that even advanced systems such as OpenAI Deep Research and Tongyi Deep Research achieve limited scores on PaperScope, highlighting the difficulty of long-context retrieval and deep multi-source reasoning. PaperScope thus provides a rigorous benchmark alongside a scalable pipeline for constructing large-scale multi-modal, multi-source deep research datasets.