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Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug…

Machine Learning · Computer Science 2025-02-12 Xuefeng Liu , Songhao Jiang , Siyu Chen , Zhuoran Yang , Yuxin Chen , Ian Foster , Rick Stevens

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

Scaling inference compute enhances reasoning in large language models (LLMs), with long chains-of-thought (CoTs) enabling strategies like backtracking and error correction. Reinforcement learning (RL) has emerged as a crucial method for…

Computation and Language · Computer Science 2025-02-06 Edward Yeo , Yuxuan Tong , Morry Niu , Graham Neubig , Xiang Yue

Large language models (LLMs) are often constrained by rigid reasoning processes, limiting their ability to generate creative and diverse responses. To address this, a novel framework called LADDER is proposed, combining Chain-of-Thought…

Computation and Language · Computer Science 2025-06-17 Xintong Tang , Meiru Zhang , Shang Xiao , Junzhao Jin , Zihan Zhao , Liwei Li , Yang Zheng , Bangyi Wu

The success of DeepSeek-R1 demonstrates the immense potential of using reinforcement learning (RL) to enhance LLMs' reasoning capabilities. This paper introduces Retrv-R1, the first R1-style MLLM specifically designed for multimodal…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Lanyun Zhu , Deyi Ji , Tianrun Chen , Haiyang Wu , Shiqi Wang

Despite rapid advancements in large language models (LLMs), the token-level autoregressive nature constrains their complex reasoning capabilities. To enhance LLM reasoning, inference-time techniques, including…

Artificial Intelligence · Computer Science 2026-01-28 Qianyue Hao , Sibo Li , Jian Yuan , Yong Li

Large language models (LLMs) excel at complex tasks thanks to advances in their reasoning abilities. However, existing methods overlook the trade-off between reasoning effectiveness and efficiency, often encouraging unnecessarily long…

Machine Learning · Computer Science 2025-10-16 Jingyao Wang , Wenwen Qiang , Zeen Song , Changwen Zheng , Hui Xiong

Developing 3D vision-language models with robust clinical reasoning remains a challenge due to the inherent complexity of volumetric medical imaging, the tendency of models to overfit superficial report patterns, and the lack of…

Computer Vision and Pattern Recognition · Computer Science 2026-02-03 Haoran Lai , Zihang Jiang , Kun Zhang , Qingsong Yao , Rongsheng Wang , Zhiyang He , Xiaodong Tao , Wei Wei , Shaohua Kevin Zhou

Traditional recommendation systems often grapple with "filter bubbles", underutilization of external knowledge, and a disconnect between model optimization and business policy iteration. To address these limitations, this paper introduces…

Artificial Intelligence · Computer Science 2025-06-25 Yu Xie , Xingkai Ren , Ying Qi , Yao Hu , Lianlei Shan

The rapid emergence of diverse large language models (LLMs) has spurred the development of LLM routers that assign user queries to the most suitable model. However, existing LLM routers typically perform a single-round, one-to-one mapping…

Computation and Language · Computer Science 2025-10-27 Haozhen Zhang , Tao Feng , Jiaxuan You

Reinforcement learning (RL) has increasingly become a pivotal technique in the post-training of large language models (LLMs). The effective exploration of the output space is essential for the success of RL. We observe that for complex…

Machine Learning · Computer Science 2025-07-08 Shihan Dou , Muling Wu , Jingwen Xu , Rui Zheng , Tao Gui , Qi Zhang , Xuanjing Huang

Recent advances in multi-modal large language models (MLLMs) have significantly improved object-level grounding and region captioning. However, they remain limited in visual relation understanding, struggling even with binary relation…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Lin Li , Wei Chen , Jiahui Li , Kwang-Ting Cheng , Long Chen

We introduce OpenVLThinker, one of the first open-source large vision-language models (LVLMs) to exhibit sophisticated chain-of-thought reasoning, achieving notable performance gains on challenging visual reasoning tasks. While text-based…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 Yihe Deng , Hritik Bansal , Fan Yin , Nanyun Peng , Wei Wang , Kai-Wei Chang

Retrosynthesis planning, essential in organic synthesis and drug discovery, has greatly benefited from recent AI-driven advancements. Nevertheless, existing methods frequently face limitations in both applicability and explainability.…

Computational Engineering, Finance, and Science · Computer Science 2025-07-24 Situo Zhang , Hanqi Li , Lu Chen , Zihan Zhao , Xuanze Lin , Zichen Zhu , Bo Chen , Xin Chen , Kai Yu

Reinforcement learning with verifiable rewards (RLVR) has demonstrated superior performance in enhancing the reasoning capability of large language models (LLMs). However, this accuracy-oriented learning paradigm often suffers from entropy…

Artificial Intelligence · Computer Science 2026-01-19 Hongye Cao , Zhixin Bai , Ziyue Peng , Boyan Wang , Tianpei Yang , Jing Huo , Yuyao Zhang , Yang Gao

The growing power of large language models (LLMs) has revolutionized how people access and utilize information. Notably, the LLMs excel at performing fine-grained data representation, which facilitates precise retrieval of information. They…

Computation and Language · Computer Science 2025-02-13 Ruiran Yan , Zheng Liu , Defu Lian

Large Language Models (LLMs) have shown remarkable performance on complex reasoning tasks, especially when equipped with long chain-of-thought (CoT) reasoning. However, eliciting long CoT typically requires large-scale reinforcement…

Computation and Language · Computer Science 2026-01-30 Huiyuan Lai , Malvina Nissim

Reinforcement learning (RL) has emerged as a key paradigm for aligning and optimizing large language models (LLMs). Standard approaches treat the LLM as the policy and apply RL directly over the full vocabulary space. However, this…

Machine Learning · Computer Science 2026-02-17 Jing-Cheng Pang , Liang Lu , Xian Tang , Kun Jiang , Sijie Wu , Kai Zhang , Xubin Li

Large language models (LLMs) can perform reasoning computations both internally within their latent space and externally by generating explicit token sequences like chains of thought. Significant progress in enhancing reasoning abilities…

Computation and Language · Computer Science 2025-04-16 Thilo Hagendorff , Sarah Fabi

Large Language Models (LLMs) have revolutionized natural language processing through their state of art reasoning capabilities. This paper explores the convergence of LLM reasoning techniques and feature generation for machine learning…

Computation and Language · Computer Science 2025-03-21 Dharani Chandra
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