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LLMs have made significant progress in complex but easy-to-verify problems, yet they still struggle with discovering the unknown. In this paper, we present \textbf{AlphaResearch}, an autonomous research agent designed to discover new…

Computation and Language · Computer Science 2026-04-02 Zhaojian Yu , Kaiyue Feng , Yilun Zhao , Shilin He , Xiao-Ping Zhang , Arman Cohan

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

We present AutoResearch-RL, a framework in which a reinforcement learning agent conducts open-ended neural architecture and hyperparameter research without human supervision, running perpetually until a termination oracle signals…

Machine Learning · Computer Science 2026-03-20 Nilesh Jain , Rohit Yadav , Sagar Kotian , Claude AI

Existing LLM agents for computational materials science are constrained by pipeline-bounded architectures tied to specific simulation codes and by dependence on manually written tool functions that grow with task scope. We present MatClaw,…

Materials Science · Physics 2026-05-25 Chenmu Zhang , Boris I. Yakobson

Although recent advancements in large language models (LLMs) have significantly improved their performance on various tasks, they still face challenges with complex and symbolic multi-step reasoning, particularly in mathematical reasoning.…

Computation and Language · Computer Science 2024-09-30 Guoxin Chen , Minpeng Liao , Chengxi Li , Kai Fan

Dynamically configuring algorithm hyperparameters is a fundamental challenge in computational intelligence. While learning-based methods offer automation, they suffer from prohibitive sample complexity and poor generalization. We introduce…

Artificial Intelligence · Computer Science 2026-03-17 Zhenxing Xu , Yizhe Zhang , Weidong Bao , Hao Wang , Ming Chen , Haoran Ye , Wenzheng Jiang , Hui Yan , Ji Wang

Automating scientific discovery requires more than generating papers from ideas. Real research is iterative: hypotheses are challenged from multiple perspectives, experiments fail and inform the next attempt, and lessons accumulate across…

Optimizing GPU kernels manually is a challenging and time-consuming task. With the rapid development of LLMs, automated GPU kernel optimization is gradually becoming a tangible reality. However, current LLM-driven automated optimization…

Machine Learning · Computer Science 2026-03-10 Yuxuan Han , Meng-Hao Guo , Zhengning Liu , Wenguang Chen , Shi-Min Hu

We present Claw AI Lab, a lab-native autonomous research platform that advances automated research from a hidden prompt-to-paper pipeline into an interactive AI laboratory. Rather than centering the system around a single agent or a fixed…

Artificial Intelligence · Computer Science 2026-05-22 Fan Wu , Cheng Chen , Zhenshan Tan , Taiyu Zhang , Xinzhen Xu , Yanyu Qian , Dingcheng Gao , Lanyun Zhu , Qi Zhu , Yi Tan , Deyi Ji , Guosheng Lin , Tianrun Chen , Deheng Ye , Fayao Liu

Large language models (LLMs) excel in open domains but struggle in specialized settings with limited data and evolving knowledge. Existing domain adaptation practices rely heavily on manual trial-and-error processes, incur significant…

Machine Learning · Computer Science 2026-03-10 Sidharth Sinha , Anson Bastos , Xuchao Zhang , Akshay Nambi , Chetan Bansal , Saravan Rajmohan

Large Language Models (LLMs) can be fine-tuned on domain-specific data to enhance their performance in specialized fields. However, such data often contains numerous low-quality samples, necessitating effective data processing (DP). In…

Machine Learning · Computer Science 2026-05-08 Wei Huang , Anda Cheng , Yinggui Wang , Lei Wang , Tao Wei

Optimization modeling underlies critical decision-making across industries, yet remains difficult to automate: natural-language problem descriptions must be translated into precise mathematical formulations and executable solver code.…

As Large Language Models (LLMs) evolve into autonomous agents, existing safety evaluations face a fundamental trade-off: manual benchmarks are costly, while LLM-based simulators are scalable but suffer from logic hallucination. We present…

Artificial Intelligence · Computer Science 2026-03-17 Changyi Li , Pengfei Lu , Xudong Pan , Fazl Barez , Min Yang

Automatic performance tuning (auto-tuning) is essential for optimizing high-performance applications, where vast and irregular search spaces make manual exploration infeasible. While auto-tuners traditionally rely on classical approaches…

Machine Learning · Computer Science 2026-04-01 Floris-Jan Willemsen , Niki van Stein , Ben van Werkhoven

Autonomous agents powered by large language models (LLMs) perform complex tasks through long-horizon reasoning and tool interaction, where a fundamental trade-off arises between execution efficiency and reasoning robustness. Models at…

Computation and Language · Computer Science 2026-03-30 Wenbo Gao , Renxi Liu , Xian Wang , Fang Guo , Shuai Yang , Xi Chen , Hui-Ling Zhen , Hanting Chen , Weizhe Lin , Xiaosong Li , Yaoyuan Wang

We present \textbf{Deep Researcher Agent}, an open-source framework that enables large language model (LLM) agents to autonomously conduct deep learning experiments around the clock. Unlike existing AI research assistants that focus on…

Artificial Intelligence · Computer Science 2026-04-08 Xiangyue Zhang

Pipelining between data loading and computation is a critical tensor program optimization for GPUs. In order to unleash the high performance of latest GPUs, we must perform a synergetic optimization of multi-stage pipelining across the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-09 Guyue Huang , Yang Bai , Liu Liu , Yuke Wang , Bei Yu , Yufei Ding , Yuan Xie

Large language models (LLMs) show promise for automated code optimization. However, without performance context, they struggle to produce correct and effective code transformations. Existing performance tools can identify bottlenecks but…

Performance · Computer Science 2026-04-28 Mohammad Zaeed , Tanzima Z. Islam , Vladimir Indic

Agentic AI systems use specialized agents to handle tasks within complex workflows, enabling automation and efficiency. However, optimizing these systems often requires labor-intensive, manual adjustments to refine roles, tasks, and…

Computation and Language · Computer Science 2024-12-24 Kamer Ali Yuksel , Hassan Sawaf

If autoresearch is itself a form of research, then autoresearch can be applied to research itself. We take this idea literally: we use an autoresearch loop to optimize the autoresearch loop. Every existing autoresearch system -- from…

Artificial Intelligence · Computer Science 2026-03-25 Yaonan Qu , Meng Lu
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