English
Related papers

Related papers: MolAct: An Agentic RL Framework for Molecular Edit…

200 papers

Agentic systems, AI architectures that autonomously execute multi-step workflows to achieve complex goals, are often built using repeated large language model (LLM) calls for closed-set decision tasks such as routing, shortlisting, gating,…

Computation and Language · Computer Science 2026-02-19 Ido Levy , Eilam Shapira , Yinon Goldshtein , Avi Yaeli , Nir Mashkif , Segev Shlomov

Sensemaking report writing often requires multiple refinements in the iterative process. While Large Language Models (LLMs) have shown promise in generating initial reports based on human visual workspace representations, they struggle to…

Human-Computer Interaction · Computer Science 2025-10-03 Xuxin Tang , Rehema Abulikemu , Eric Krokos , Kirsten Whitley , Xuan Wang , Chris North

Despite their popularity and success, Multimodal Large Language Models (MLLMs) often struggle to interpret images accurately, which limits their reasoning capability in complex scenarios (e.g., high object density and complex background…

Computer Vision and Pattern Recognition · Computer Science 2026-05-28 Xuanzhao Dong , Wenhui Zhu , Peijie Qiu , Xiwen Chen , Xiaobing Yu , Xin Li , Zhipeng Wang , Shao Tang , Gen Li , Yujian Xiong , Hao Wang , Yanxi Chen , Prayag Tiwari , Yalin Wang

Recently, large language models (LLMs) have demonstrated remarkable problem-solving capabilities by autonomously integrating with external tools for collaborative reasoning. However, due to the inherently complex and diverse nature of…

Artificial Intelligence · Computer Science 2025-11-03 Mengjie Deng , Guanting Dong , Zhicheng Dou

Large Language Model (LLM) Agents, often trained with Reinforcement Learning (RL), are constrained by a dependency on human-curated data, limiting scalability and tethering AI to human knowledge. Existing self-evolution frameworks offer an…

Machine Learning · Computer Science 2025-11-21 Peng Xia , Kaide Zeng , Jiaqi Liu , Can Qin , Fang Wu , Yiyang Zhou , Caiming Xiong , Huaxiu Yao

We present Lean Refactor, a plug-and-play retrieval-augmented agentic framework for multi-objective, controllable, and version-robust refactoring of Lean proofs. LLM-generated proofs are notoriously correct-but-verbose and brittle across…

Logic in Computer Science · Computer Science 2026-05-21 Jialin Lu , Soonho Kong , Rodrigo Stehling , Kaiyu Yang , Zhangyang Wang , Weiran Sun , Wuyang Chen

While reinforcement learning (RL) has achieved notable success in various domains, training effective policies for complex tasks remains challenging. Agents often converge to local optima and fail to maximize long-term rewards. Existing…

Artificial Intelligence · Computer Science 2025-05-28 Heng Tan , Hua Yan , Yu Yang

Large Language Models (LLMs) have substantially influenced various software engineering tasks. Indeed, in the case of software refactoring, traditional LLMs have shown the ability to reduce development time and enhance code quality.…

Software Engineering · Computer Science 2026-03-06 Khouloud Oueslati , Maxime Lamothe , Foutse Khomh

Particle accelerator beamline optimization is a high-dimensional control problem traditionally requiring significant expert intervention. We present RLABC (Reinforcement Learning for Accelerator Beamline Control), an open-source Python…

Machine Learning · Computer Science 2026-04-22 Anwar Ibrahim , Fedor Ratnikov , Maxim Kaledin , Alexey Petrenko , Denis Derkach

We study sample-efficient molecular optimization under a limited budget of oracle evaluations. We propose MolLIBRA (MultimOdaLity and Language Integrated Bayesian and evolutionaRy optimizAtion), a genetic algorithm based framework that…

Neural and Evolutionary Computing · Computer Science 2026-02-10 Masahi Okada , Kazuki Sakai , Hiroaki Yoshida , Masaki Okoshi , Tadahiro Taniguchi

We introduce GenAgent, unifying visual understanding and generation through an agentic multimodal model. Unlike unified models that face expensive training costs and understanding-generation trade-offs, GenAgent decouples these capabilities…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Kaixun Jiang , Yuzheng Wang , Junjie Zhou , Pandeng Li , Zhihang Liu , Chen-Wei Xie , Zhaoyu Chen , Yun Zheng , Wenqiang Zhang

Multi-agent frameworks powered by large language models (LLMs) have demonstrated great success in automated planning and task execution. However, the effective adjustment of agentic workflows during execution has not been well studied. An…

Artificial Intelligence · Computer Science 2025-02-25 Boye Niu , Yiliao Song , Kai Lian , Yifan Shen , Yu Yao , Kun Zhang , Tongliang Liu

Text-to-image generation has advanced rapidly, but existing models still struggle with faithfully composing multiple objects and preserving their attributes in complex scenes. We propose coDrawAgents, an interactive multi-agent dialogue…

Computer Vision and Pattern Recognition · Computer Science 2026-03-16 Chunhan Li , Qifeng Wu , Jia-Hui Pan , Ka-Hei Hui , Jingyu Hu , Yuming Jiang , Bin Sheng , Xihui Liu , Wenjuan Gong , Zhengzhe Liu

Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near ab initio accuracy at significantly reduced computational cost, but their broader adoption is often limited by fragmented tooling, limited scalability,…

Despite the outstanding capabilities of large language models (LLMs), knowledge-intensive reasoning still remains a challenging task due to LLMs' limitations in compositional reasoning and the hallucination problem. A prevalent solution is…

Computation and Language · Computer Science 2025-09-29 Amy Xin , Jinxin Liu , Zijun Yao , Zhicheng Lee , Shulin Cao , Lei Hou , Juanzi Li

Developing new drugs is laborious and costly, demanding extensive time investment. In this paper, we introduce a de-novo drug design strategy, which harnesses the capabilities of language models to devise targeted drugs for specific…

Biomolecules · Quantitative Biology 2025-05-20 Salma J. Ahmed , Emad A. Mohammed

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application…

Artificial Intelligence · Computer Science 2025-03-04 Caigao Jiang , Xiang Shu , Hong Qian , Xingyu Lu , Jun Zhou , Aimin Zhou , Yang Yu

The transition from optical identification of 2D quantum materials to practical device fabrication requires dynamic reasoning beyond the detection accuracy. While recent domain-specific Multimodal Large Language Models (MLLMs) successfully…

Computer Vision and Pattern Recognition · Computer Science 2026-03-19 Sankalp Pandey , Xuan-Bac Nguyen , Hoang-Quan Nguyen , Tim Faltermeier , Nicholas Borys , Hugh Churchill , Khoa Luu

Despite significant advancements in text-to-image models for generating high-quality images, these methods still struggle to ensure the controllability of text prompts over images in the context of complex text prompts, especially when it…

Computer Vision and Pattern Recognition · Computer Science 2024-01-31 Zhenyu Wang , Enze Xie , Aoxue Li , Zhongdao Wang , Xihui Liu , Zhenguo Li

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

Artificial Intelligence · Computer Science 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani