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Retrosynthesis prediction is a core task in organic synthesis that aims to predict reactants for a given product molecule. Traditionally, chemists select a plausible bond disconnection and derive corresponding reactants, which is…

机器学习 · 计算机科学 2026-03-16 Hanbum Ko , Chanhui Lee , Ye Rin Kim , Rodrigo Hormazabal , Sehui Han , Sungbin Lim , Sungwoong Kim

Rule-based adaptation is a foundational approach to self-adaptation, characterized by its human readability and rapid response. However, building high-performance and robust adaptation rules is often a challenge because it essentially…

计算与语言 · 计算机科学 2024-07-03 Yusei Ishimizu , Jialong Li , Jinglue Xu , Jinyu Cai , Hitoshi Iba , Kenji Tei

Recent advances in reasoning capabilities of large language models (LLMs) are largely driven by reinforcement learning (RL), yet the underlying parameter dynamics during RL training remain poorly understood. This work identifies two…

机器学习 · 计算机科学 2026-02-24 Yuchen Cai , Ding Cao , Xin Xu , Zijun Yao , Yuqing Huang , Zhenyu Tan , Benyi Zhang , Guangzhong Sun , Guiquan Liu , Junfeng Fang

In recent years, large language models (LLMs) have witnessed remarkable advancements, with the test-time scaling law consistently enhancing the reasoning capabilities. Through systematic evaluation and exploration of a diverse spectrum of…

计算与语言 · 计算机科学 2025-11-03 Chenyang Shao , Sijian Ren , Fengli Xu , Yong Li

Adapting Large Language Models in complex technical service domains is constrained by the absence of explicit cognitive chains in human demonstrations and the inherent ambiguity arising from the diversity of valid responses. These…

Recent months have seen the emergence of a powerful new trend in which large language models (LLMs) are augmented to become autonomous language agents capable of performing objective oriented multi-step tasks on their own, rather than…

Inspired by the exceptional general intelligence of Large Language Models (LLMs), researchers have begun to explore their application in pioneering the next generation of recommender systems - systems that are conversational, explainable,…

信息检索 · 计算机科学 2024-08-06 Wensheng Lu , Jianxun Lian , Wei Zhang , Guanghua Li , Mingyang Zhou , Hao Liao , Xing Xie

The shift toward interacting with frozen, "black-box" Large Language Models (LLMs) has transformed prompt engineering from a heuristic exercise into a critical optimization challenge. We propose a Reinforcement Learning (RL) framework for…

人工智能 · 计算机科学 2026-05-15 Krishna Sayana , Ketan Todi , Ambarish Jash

Reasoning-enhanced large language models (LLMs) explicitly generate intermediate reasoning steps prior to generating final answers, helping the model excel in complex problem-solving. In this paper, we demonstrate that this emerging…

机器学习 · 计算机科学 2025-05-22 Tong Wu , Chong Xiang , Jiachen T. Wang , G. Edward Suh , Prateek Mittal

Large language models (LLMs) increasingly rely on chain-of-thought (CoT) reasoning to solve complex tasks. Yet ensuring that the reasoning trace both contributes to and faithfully reflects the processes underlying the model's final answer,…

计算与语言 · 计算机科学 2026-04-20 Max Henning Höth , Kristian Kersting , Björn Deiseroth , Letitia Parcalabescu

Recent AI advancements, such as OpenAI's new models, are transforming LLMs into LRMs (Large Reasoning Models) that perform reasoning during inference, taking extra time and compute for higher-quality outputs. We aim to uncover the…

Large reasoning models (LRMs) have recently shown promise in solving complex math problems when optimized with Reinforcement Learning (RL). But conventional approaches rely on outcome-only rewards that provide sparse feedback, resulting in…

机器学习 · 计算机科学 2025-08-01 Tao He , Rongchuan Mu , Lizi Liao , Yixin Cao , Ming Liu , Bing Qin

Recent studies show that the reasoning capabilities of Large Language Models (LLMs) can be improved by applying Reinforcement Learning (RL) to question-answering (QA) tasks in areas such as math and coding. With a long context length, LLMs…

计算与语言 · 计算机科学 2025-10-17 Stephen Chung , Wenyu Du , Jie Fu

Instructions augmentation is a crucial step for unleashing the full potential of large language models (LLMs) in downstream tasks. Existing Self-Instruct methods primarily simulate new instructions from a few initial instructions with…

计算与语言 · 计算机科学 2024-10-04 Wanyun Cui , Qianle Wang

Language Models (LMs) have shown impressive performance in various natural language tasks. However, when it comes to natural language reasoning, LMs still face challenges such as hallucination, generating incorrect intermediate reasoning…

计算与语言 · 计算机科学 2023-10-20 Deepak Nathani , David Wang , Liangming Pan , William Yang Wang

While Reinforcement Learning (RL) shows promise in training tool-use Large Language Models (LLMs) using verifiable outcome rewards, existing methods largely overlook the potential of reasoning rewards based on chain-of-thought quality for…

计算与语言 · 计算机科学 2026-01-16 Zihan Lin , Xiaohan Wang , Hexiong Yang , Jiajun Chai , Jie Cao , Guojun Yin , Wei Lin , Ran He

Scaling test-time compute is crucial for enhancing the reasoning capabilities of large language models (LLMs). Existing approaches typically employ reinforcement learning (RL) to maximize a verifiable reward obtained at the end of reasoning…

机器学习 · 计算机科学 2025-11-10 Penghui Qi , Zichen Liu , Tianyu Pang , Chao Du , Wee Sun Lee , Min Lin

Diffusion Large Language Models (dLLMs) are rapidly emerging alongside autoregressive models as a powerful paradigm for complex reasoning, with reinforcement learning increasingly used for downstream alignment. Existing trajectory-based RL…

机器学习 · 计算机科学 2025-11-20 Ranfei Chen , Ming Chen , Kaifei Wang

Finding appropriate prompts for the specific task has become an important issue as the usage of Large Language Models (LLM) has expanded. Reinforcement Learning (RL) is widely used for prompt tuning, but its inherent instability and…

计算与语言 · 计算机科学 2024-10-11 Minchan Kwon , Gaeun Kim , Jongsuk Kim , Haeil Lee , Junmo Kim

Strategic reasoning enables agents to cooperate, communicate, and compete with other agents in diverse situations. Existing approaches to solving strategic games rely on extensive training, yielding strategies that do not generalize to new…

人工智能 · 计算机科学 2023-05-31 Kanishk Gandhi , Dorsa Sadigh , Noah D. Goodman
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