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Related papers: M^4olGen: Multi-Agent, Multi-Stage Molecular Gener…

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Reinforcement Learning from Human Feedback (RLHF) is an important fine-tuning technique for large language models (LLMs) and comprises three stages: generation, inference, and training. The generation stage generates samples that are then…

Machine Learning · Computer Science 2025-12-15 Siqi Wang , Hailong Yang , Junjie Zhu , Xuezhu Wang , Yufan Xu , Depei Qian

Reinforcement learning (RL) has emerged as a powerful paradigm for fine-tuning Large Language Models (LLMs) for text generation. In particular, recent LLMs such as ChatGPT and GPT-4 can engage in fluent conversations with users after…

Machine Learning · Computer Science 2023-11-14 Jonathan D. Chang , Kiante Brantley , Rajkumar Ramamurthy , Dipendra Misra , Wen Sun

Large Language Models (LLMs) have shown impressive potential in generating Verilog codes, but ensuring functional correctness remains a challenge. Existing approaches often rely on self-consistency or simulation feedback to select the best…

Hardware Architecture · Computer Science 2025-11-05 Zhuorui Zhao , Bing Li , Grace Li Zhang , Ulf Schlichtmann

Molecular generation, an essential method for identifying new drug structures, has been supported by advancements in machine learning and computational technology. However, challenges remain in multi-objective generation, model…

Biomolecules · Quantitative Biology 2024-04-11 Ningfeng Liu , Jie Yu , Siyu Xiu , Xinfang Zhao , Siyu Lin , Bo Qiang , Ruqiu Zheng , Hongwei Jin , Liangren Zhang , Zhenming Liu

Large Language Models (LLMs) can generate code from natural language, but their performance is highly sensitive to prompt formulation. We propose a reinforcement-learning-based framework that models prompt refinement as a sequential…

Software Engineering · Computer Science 2026-05-20 Ali Mohammadi Esfahani , Nafiseh Kahani , Samuel A. Ajila

Large Language Models (LLMs) have sparked significant interest in their generative capabilities, leading to the development of various commercial applications. The high cost of using the models drives application builders to maximize the…

Computation and Language · Computer Science 2023-08-10 Chi Wang , Susan Xueqing Liu , Ahmed H. Awadallah

Large language models (LLMs) have transformed human writing by enhancing grammar correction, content expansion, and stylistic refinement. However, their widespread use raises concerns about authorship, originality, and ethics, even…

Computation and Language · Computer Science 2024-10-21 Zhen Tao , Zhiyu Li , Runyu Chen , Dinghao Xi , Wei Xu

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

Machine Learning · Computer Science 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren

Recent advancements in large language models (LLMs) have demonstrated their potential in automating the scientific research ideation. Existing approaches primarily focus on prompting techniques, often producing ideas misaligned with expert…

Computation and Language · Computer Science 2025-11-17 Ruochen Li , Liqiang Jing , Chi Han , Jiawei Zhou , Xinya Du

Existing policy-gradient methods for auto-regressive language models typically select subsequent tokens one at a time as actions in the policy. While effective for many generation tasks, such an approach may not fully capture the structure…

Computation and Language · Computer Science 2026-02-17 Mufan Xu , Kehai Chen , Xuefeng Bai , Zhengyu Niu , Muyun Yang , Tiejun Zhao , Min Zhang

Recent research explores optimization using large language models (LLMs) by either iteratively seeking next-step solutions from LLMs or directly prompting LLMs for an optimizer. However, these approaches exhibit inherent limitations,…

Optimization and Control · Mathematics 2024-03-06 Zeyuan Ma , Hongshu Guo , Jiacheng Chen , Guojun Peng , Zhiguang Cao , Yining Ma , Yue-Jiao Gong

Multi-agent collaboration among models has shown promise in reasoning tasks but is underexplored in long-form generation tasks like summarization and question-answering. We extend multi-agent multi-model reasoning to generation,…

Computation and Language · Computer Science 2025-03-20 David Wan , Justin Chih-Yao Chen , Elias Stengel-Eskin , Mohit Bansal

Molecule generation and optimization is a fundamental task in chemical domain. The rapid development of intelligent tools, especially large language models (LLMs) with powerful knowledge reserves and interactive capabilities, has provided…

Machine Learning · Computer Science 2026-02-10 Haoran Liu , Zheni Zeng , Yukun Yan , Yuxuan Chen , Yunduo Xiao

Generative recommendation has emerged as a promising paradigm aiming at directly generating the identifiers of the target candidates. Most existing methods attempt to leverage prior knowledge embedded in Pre-trained Language Models (PLMs)…

Information Retrieval · Computer Science 2025-04-09 Jianyang Zhai , Zi-Feng Mai , Chang-Dong Wang , Feidiao Yang , Xiawu Zheng , Hui Li , Yonghong Tian

First-order logic (FOL) reasoning, which involves sequential deduction, is pivotal for intelligent systems and serves as a valuable task for evaluating reasoning capabilities, particularly in chain-of-thought (CoT) contexts. Existing…

Computation and Language · Computer Science 2025-03-04 Chengwen Qi , Ren Ma , Bowen Li , He Du , Binyuan Hui , Jinwang Wu , Yuanjun Laili , Conghui He

Dataset availability and quality remain critical challenges in machine learning, especially in domains where data are scarce, expensive to acquire, or constrained by privacy regulations. Fields such as healthcare, biomedical research, and…

Databases · Computer Science 2025-10-23 Hamed Jelodar , Samita Bai , Roozbeh Razavi-Far , Ali A. Ghorbani

Recent advancements in Large Language Models (LLMs) have significantly enhanced their ability to process long contexts, yet a notable gap remains in generating long, aligned outputs. This limitation stems from a training gap where…

Computation and Language · Computer Science 2024-11-01 Shanghaoran Quan , Tianyi Tang , Bowen Yu , An Yang , Dayiheng Liu , Bofei Gao , Jianhong Tu , Yichang Zhang , Jingren Zhou , Junyang Lin

Recent studies increasingly explore Large Language Models (LLMs) as a new paradigm for recommendation systems due to their scalability and world knowledge. However, existing work has three key limitations: (1) most efforts focus on…

Current SMILES-based diffusion models for molecule generation typically support only unimodal constraint. They inject conditioning signals at the start of the training process and require retraining a new model from scratch whenever the…

Machine Learning · Computer Science 2025-08-21 Yunzhe Zhang , Yifei Wang , Khanh Vinh Nguyen , Pengyu Hong

Developing constitutive models that capture how materials deform under load traditionally requires years of specialized expertise in continuum mechanics, machine learning, and scientific programming. Large language models (LLMs) have…

Machine Learning · Computer Science 2026-05-25 Marius Tacke , Matthias Busch , Kian Abdolazizi , Jonas Eichinger , Kevin Linka , Roland Aydin , Christian Cyron
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