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Recent autonomous LLM agents have demonstrated end-to-end automation of machine-learning research. Real-world physical science is intrinsically harder, requiring deep reasoning bounded by physical truth and, because real systems are too…

Computational Physics · Physics 2026-04-15 Haonan Huang

Optimizing software performance through automated code refinement offers a promising avenue for enhancing execution speed and efficiency. Despite recent advancements in LLMs, a significant gap remains in their ability to perform in-depth…

Software Engineering · Computer Science 2025-01-30 Manish Acharya , Yifan Zhang , Kevin Leach , Yu Huang

Autonomous machine learning research has gained significant attention recently. We present MLR-COPILOT, an autonomous Machine Learning Research framework powered by large language model agents. The system is designed to enhance ML research…

Artificial Intelligence · Computer Science 2025-11-18 Ruochen Li , Teerth Patel , Qingyun Wang , Xinya Du

We study self-rewarding reasoning large language models (LLMs), which can simultaneously generate step-by-step reasoning and evaluate the correctness of their outputs during the inference time-without external feedback. This integrated…

Artificial Intelligence · Computer Science 2025-02-28 Wei Xiong , Hanning Zhang , Chenlu Ye , Lichang Chen , Nan Jiang , Tong Zhang

Inference-time scaling strategies, particularly Monte Carlo Tree Search (MCTS), have significantly enhanced the reasoning capabilities of Large Language Models (LLMs). However, current approaches remain predominantly stateless, discarding…

Artificial Intelligence · Computer Science 2026-02-05 Hao Lu , Haoyuan Huang , Yulin Zhou , Chen Li , Ningxin Zhu

In order to be deployed safely, Large Language Models (LLMs) must be capable of dynamically adapting their behavior based on their level of knowledge and uncertainty associated with specific topics. This adaptive behavior, which we refer to…

Computation and Language · Computer Science 2024-07-04 Alexandre Piché , Aristides Milios , Dzmitry Bahdanau , Chris Pal

The rise of large language models (LLMs) has significantly transformed both the construction and application of information retrieval (IR) systems. However, current interactions between IR systems and LLMs remain limited, with LLMs merely…

Information Retrieval · Computer Science 2024-11-05 Qiaoyu Tang , Jiawei Chen , Zhuoqun Li , Bowen Yu , Yaojie Lu , Cheng Fu , Haiyang Yu , Hongyu Lin , Fei Huang , Ben He , Xianpei Han , Le Sun , Yongbin Li

Finding an agreement among diverse opinions is a challenging topic in multiagent systems. Recently, large language models (LLMs) have shown great potential in addressing this challenge due to their remarkable capabilities in comprehending…

Computation and Language · Computer Science 2023-05-22 Shiyao Ding , Takayuki Ito

Bilevel optimization, in which one optimization problem is nested inside another, underlies many machine learning applications with a hierarchical structure -- such as meta-learning and hyperparameter optimization. Such applications often…

Machine Learning · Computer Science 2025-11-10 Andrew Lowy , Daogao Liu

Long-term memory is essential for LLM agents that operate across multiple sessions, yet existing memory systems treat retrieval infrastructure as fixed: stored content evolves while scoring functions, fusion strategies, and…

Machine Learning · Computer Science 2026-05-15 Jiaqi Liu , Xinyu Ye , Peng Xia , Zeyu Zheng , Cihang Xie , Mingyu Ding , Huaxiu Yao

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.…

Large language models (LLMs) have achieved substantial progress in processing long contexts but still struggle with long-context reasoning. Existing approaches typically involve fine-tuning LLMs with synthetic data, which depends on…

Computation and Language · Computer Science 2024-11-14 Siheng Li , Cheng Yang , Zesen Cheng , Lemao Liu , Mo Yu , Yujiu Yang , Wai Lam

Reasoning is a core capability of large language models, yet how multi-step reasoning is learned and executed remains unclear. We study this question in a controlled cellular-automata (1dCA) framework that excludes memorisation by using…

Improving the code generation capabilities of large language models (LLMs) typically relies on supervised fine-tuning or preference optimization, both of which require costly external resources such as powerful teacher models or reliable…

Software Engineering · Computer Science 2026-04-01 Huan Zhang , Wei Cheng , Wei Hu

This paper presents AutoEval, a novel benchmark for scaling Large Language Model (LLM) assessment in formal tasks with clear notions of correctness, such as truth maintenance in translation and logical reasoning. AutoEval is the first…

Artificial Intelligence · Computer Science 2025-04-15 Rushang Karia , Daniel Bramblett , Daksh Dobhal , Siddharth Srivastava

This paper studies retrieval-augmented approaches for personalizing large language models (LLMs), which potentially have a substantial impact on various applications and domains. We propose the first attempt to optimize the retrieval models…

Computation and Language · Computer Science 2024-04-19 Alireza Salemi , Surya Kallumadi , Hamed Zamani

Large Multimodal Models (LMMs) excel at comprehending human instructions and demonstrate remarkable results across a broad spectrum of tasks. Reinforcement Learning from Human Feedback (RLHF) and AI Feedback (RLAIF) further refine LLMs by…

Artificial Intelligence · Computer Science 2024-10-07 Ju-Seung Byun , Jiyun Chun , Jihyung Kil , Andrew Perrault

Recent advances in multimodal large language models (MLLMs) have shown impressive reasoning capabilities. However, further enhancing existing MLLMs necessitates high-quality vision-language datasets with carefully curated task complexities,…

Computer Vision and Pattern Recognition · Computer Science 2025-07-30 Xiuwei Chen , Wentao Hu , Hanhui Li , Jun Zhou , Zisheng Chen , Meng Cao , Yihan Zeng , Kui Zhang , Yu-Jie Yuan , Jianhua Han , Hang Xu , Xiaodan Liang

While LLMs excel at single-turn generation, they struggle with long-horizon, multi-turn interactions. Offline reinforcement learning (RL) offers a scalable approach, yet its performance hinges on the availability and quality of multi-turn…

Machine Learning · Computer Science 2026-05-26 Shresth Verma , Mauricio Tec , Cheol Woo Kim , Kai Wang , Milind Tambe

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…