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While astonishingly capable, large Language Models (LLM) can sometimes produce outputs that deviate from human expectations. Such deviations necessitate an alignment phase to prevent disseminating untruthful, toxic, or biased information.…

Artificial Intelligence · Computer Science 2024-10-30 Long Tan Le , Han Shu , Tung-Anh Nguyen , Choong Seon Hong , Nguyen H. Tran

Lead optimization in drug discovery requires efficiently navigating vast chemical space through iterative cycles to enhance molecular properties while preserving structural similarity to the original lead compound. Despite recent advances,…

Machine Learning · Computer Science 2025-09-29 Ziqing Wang , Yibo Wen , William Pattie , Xiao Luo , Weimin Wu , Jerry Yao-Chieh Hu , Abhishek Pandey , Han Liu , Kaize Ding

Large language models (LLMs) struggle with complex, long-horizon reasoning due to instability caused by their frozen policy assumption. Current test-time scaling methods treat execution feedback merely as an external signal for filtering or…

Artificial Intelligence · Computer Science 2026-01-29 Zhengbo Jiao , Hongyu Xian , Qinglong Wang , Yunpu Ma , Zhebo Wang , Zifan Zhang , Dezhang Kong , Meng Han

Recent breakthroughs in reasoning language models have significantly advanced text-based reasoning. On the other hand, Multi-modal Large Language Models (MLLMs) still lag behind, hindered by their outdated internal LLMs. Upgrading these…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Yunhao Gou , Kai Chen , Zhili Liu , Lanqing Hong , Xin Jin , Zhenguo Li , James T. Kwok , Yu Zhang

While Multimodal Large Language Models (MLLMs) have achieved impressive progress in vision-language understanding, they still struggle with complex multi-step reasoning, often producing logically inconsistent or partially correct solutions.…

Artificial Intelligence · Computer Science 2025-06-06 Lingxiao Du , Fanqing Meng , Zongkai Liu , Zhixiang Zhou , Ping Luo , Qiaosheng Zhang , Wenqi Shao

Applying Reinforcement Learning (RL) to Video Large Language Models (Video-LLMs) shows significant promise for complex video reasoning. However, popular Reinforcement Fine-Tuning (RFT) methods, such as outcome-based Group Relative Policy…

Computation and Language · Computer Science 2025-05-27 Yunxin Li , Xinyu Chen , Zitao Li , Zhenyu Liu , Longyue Wang , Wenhan Luo , Baotian Hu , Min Zhang

Recent advances in large language models (LLMs) have shown strong reasoning capabilities through large-scale pretraining and post-training reinforcement learning, demonstrated by DeepSeek-R1. However, current post-training methods, such as…

Artificial Intelligence · Computer Science 2025-12-04 Boyang Gu , Hongjian Zhou , Bradley Max Segal , Jinge Wu , Zeyu Cao , Hantao Zhong , Lei Clifton , Fenglin Liu , David A. Clifton

Prompt engineering has demonstrated remarkable success in enhancing the performance of large language models (LLMs) across diverse tasks. However, most existing prompt optimization methods only focus on the task-level performance,…

Artificial Intelligence · Computer Science 2025-06-02 Yilun Kong , Hangyu Mao , Qi Zhao , Bin Zhang , Jingqing Ruan , Li Shen , Yongzhe Chang , Xueqian Wang , Rui Zhao , Dacheng Tao

Inference-time computation has greatly enhanced the performance of large language models (LLMs) on challenging reasoning tasks, but this strategy can incur high inference costs. One solution is to route intermediate chain-of-thought (CoT)…

Artificial Intelligence · Computer Science 2026-05-08 Wenwen Si , Insup Lee , Osbert Bastani

Preference alignment is pivotal for empowering large language models (LLMs) to generate helpful and harmless responses. However, the performance of preference alignment is highly sensitive to the prevalent noise in the preference data.…

Machine Learning · Computer Science 2024-05-29 Xize Liang , Chao Chen , Shuang Qiu , Jie Wang , Yue Wu , Zhihang Fu , Zhihao Shi , Feng Wu , Jieping Ye

Policy optimization (PO) algorithms are used to refine Large Language Models for complex, multi-step reasoning. Current state-of-the-art pipelines enforce a strict think-then-answer format to elicit chain-of-thought (CoT); however, the…

Computation and Language · Computer Science 2025-10-28 Debdeep Sanyal , Aakash Sen Sharma , Dhruv Kumar , Saurabh Deshpande , Murari Mandal

Small Vision Language Models (SVLMs) generally refer to models with parameter sizes less than or equal to 2B. Their low cost and power consumption characteristics confer high commercial value. However, their reasoning abilities are limited…

Computer Vision and Pattern Recognition · Computer Science 2025-08-12 Fanyi Wang , Binzhi Dong , Haotian Hu , Jinjin Xu , Zhiwang Zhang

Best-of-N decoding methods instruct large language models (LLMs) to generate multiple solutions, score each using a scoring function, and select the highest scored as the final answer to mathematical reasoning problems. However, this…

Computation and Language · Computer Science 2024-10-18 Zhenyu Wu , Qingkai Zeng , Zhihan Zhang , Zhaoxuan Tan , Chao Shen , Meng Jiang

Leveraging planning during learning and decision-making is central to the long-term development of intelligent agents. Recent works have successfully combined tree-based search methods and self-play learning mechanisms to this end. However,…

Artificial Intelligence · Computer Science 2024-11-01 Matthew V Macfarlane , Edan Toledo , Donal Byrne , Paul Duckworth , Alexandre Laterre

Large Reasoning Models (LRMs) have achieved tremendous success with their chain-of-thought (CoT) reasoning, yet also face safety issues similar to those of basic language models. In particular, while algorithms are designed to guide them to…

Machine Learning · Computer Science 2026-02-05 Zeming Wei , Qiaosheng Zhang , Xia Hu , Xingcheng Xu

Large language models (LLMs), despite their extensive pretraining on diverse datasets, require effective alignment to human preferences for practical and reliable deployment. Conventional alignment methods typically employ off-policy…

Computation and Language · Computer Science 2025-07-29 Hyeonji Lee , Daejin Jo , Seohwan Yun , Sungwoong Kim

Large reasoning models (LRMs) generate intermediate reasoning traces before producing final answers, yielding strong gains on multi-step and mathematical tasks. Yet aligning LRMs with human preferences, a crucial prerequisite for model…

Machine Learning · Computer Science 2025-10-07 Mingkang Zhu , Xi Chen , Bei Yu , Hengshuang Zhao , Jiaya Jia

Large Language Models (LLMs) have achieved remarkable success across diverse tasks, largely driven by well-designed prompts. However, crafting and selecting such prompts often requires considerable human effort, significantly limiting its…

Computation and Language · Computer Science 2025-03-20 Dengyun Peng , Yuhang Zhou , Qiguang Chen , Jinhao Liu , Jingjing Chen , Libo Qin

Reinforcement Learning with Verifiable Rewards (RLVR) demonstrates significant potential in enhancing the reasoning capabilities of Large Language Models (LLMs). However, existing RLVR methods are often constrained by issues such as…

Artificial Intelligence · Computer Science 2026-01-14 Jinpeng Wang , Chao Li , Ting Ye , Mengyuan Zhang , Wei Liu , Jian Luan

Large reasoning models (LRMs) like OpenAI o1 and DeepSeek-R1 achieve high accuracy on complex tasks by adopting long chain-of-thought (CoT) reasoning paths. However, the inherent verbosity of these processes frequently results in redundancy…

Computation and Language · Computer Science 2026-03-10 Chenzhi Hu , Qinzhe Hu , Yuhang Xu , Junyi Chen , Ruijie Wang , Shengzhong Liu , Jianxin Li , Fan Wu , Guihai Chen