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Molecule generation requires satisfying multiple chemical and biological constraints while searching a large and structured chemical space. This makes it a non-binary problem, where effective models must identify non-obvious solutions under…

计算与语言 · 计算机科学 2026-04-21 Wen Tao , Yiwei Wang , Peng Zhou , Bryan Hooi , Wanlong Fang , Tianle Zhang , Xiao Luo , Yuansheng Liu , Alvin Chan

Large Language Models (LLMs), which simulate human users, are frequently employed to evaluate chatbots in applications such as tutoring and customer service. Effective evaluation necessitates a high degree of human-like diversity within…

计算与语言 · 计算机科学 2024-09-04 Xiaoyu Lin , Xinkai Yu , Ankit Aich , Salvatore Giorgi , Lyle Ungar

Large Language Models (LLMs) have in recent years demonstrated impressive prowess in natural language generation. A common practice to improve generation diversity is to sample multiple outputs from the model. However, there lacks a simple…

Vision generation remains a challenging frontier in artificial intelligence, requiring seamless integration of visual understanding and generative capabilities. In this paper, we propose a novel framework, Vision-Driven Prompt Optimization…

计算机视觉与模式识别 · 计算机科学 2025-01-07 Leo Franklin , Apiradee Boonmee , Kritsada Wongsuwan

The next token prediction loss is the dominant self-supervised training objective for large language models and has achieved promising results in a variety of downstream tasks. However, upon closer investigation of this objective, we find…

计算与语言 · 计算机科学 2025-02-25 Zhili Feng , Dhananjay Ram , Cole Hawkins , Aditya Rawal , Jinman Zhao , Sheng Zha

An increasing number of NLP applications interact with large language models (LLMs) through black-box APIs, making prompt engineering critical for controlling model outputs. While recent Automatic Prompt Optimization (APO) methods…

机器学习 · 计算机科学 2025-07-15 MohammadReza Davari , Utkarsh Garg , Weixin Cai , Eugene Belilovsky

Post-trained language models produce less varied outputs than their base counterparts. This output diversity collapse undermines inference-time scaling methods that rely on varied samples, and risks homogenizing model outputs on creative…

计算与语言 · 计算机科学 2026-04-20 Constantinos Karouzos , Xingwei Tan , Nikolaos Aletras

Output diversity is crucial for Large Language Models as it underpins pluralism and creativity. In this work, we reveal that controlling the language used during model thinking-the language of thought-provides a novel and structural source…

计算与语言 · 计算机科学 2026-04-17 Shaoyang Xu , Wenxuan Zhang

Large Language Models (LLMs) generate functionally correct solutions but often fall short in code efficiency, a critical bottleneck for real-world deployment. In this paper, we introduce a novel test-time iterative optimization framework to…

软件工程 · 计算机科学 2025-06-04 Mingzhe Du , Luu Anh Tuan , Yue Liu , Yuhao Qing , Dong Huang , Xinyi He , Qian Liu , Zejun Ma , See-kiong Ng

We consider the protein sequence engineering problem, which aims to find protein sequences with high fitness levels, starting from a given wild-type sequence. Directed evolution has been a dominating paradigm in this field which has an…

机器学习 · 计算机科学 2025-01-20 Yinkai Wang , Jiaxing He , Yuanqi Du , Xiaohui Chen , Jianan Canal Li , Li-Ping Liu , Xiaolin Xu , Soha Hassoun

Aligning large language models (LLMs) is a central objective of post-training, often achieved through reward modeling and reinforcement learning methods. Among these, direct preference optimization (DPO) has emerged as a widely adopted…

计算与语言 · 计算机科学 2026-03-03 Aladin Djuhera , Farhan Ahmed , Swanand Ravindra Kadhe , Syed Zawad , Heiko Ludwig , Holger Boche

Large Vision-Language Models (LVLMs) hold immense potential for complex multimodal instruction following, yet their development is often hindered by the high cost and inconsistency of human annotation required for effective fine-tuning and…

计算与语言 · 计算机科学 2025-08-19 Ruirui Gao , Emily Johnson , Bowen Tan , Yanfei Qian

Direct Preference Optimization (DPO) has been proposed as an effective and efficient alternative to reinforcement learning from human feedback (RLHF). In this paper, we propose a novel and enhanced version of DPO based on curriculum…

计算机视觉与模式识别 · 计算机科学 2025-05-12 Florinel-Alin Croitoru , Vlad Hondru , Radu Tudor Ionescu , Nicu Sebe , Mubarak Shah

The last year has witnessed the rapid progress of large language models (LLMs) across diverse domains. Among them, CodeLLMs have garnered particular attention because they can not only assist in completing various programming tasks but also…

人工智能 · 计算机科学 2024-10-25 Yibo Miao , Bofei Gao , Shanghaoran Quan , Junyang Lin , Daoguang Zan , Jiaheng Liu , Jian Yang , Tianyu Liu , Zhijie Deng

Large language models (LLMs) fine-tuned with alignment techniques, such as reinforcement learning from human feedback, have been instrumental in developing some of the most capable AI systems to date. Despite their success, existing methods…

计算与语言 · 计算机科学 2025-07-01 Kyuyoung Kim , Ah Jeong Seo , Hao Liu , Jinwoo Shin , Kimin Lee

Multimodal Large Language Models (MLLMs) excel in generating responses based on visual inputs. However, they often suffer from a bias towards generating responses similar to their pretraining corpus, overshadowing the importance of visual…

计算与语言 · 计算机科学 2024-04-04 Renjie Pi , Tianyang Han , Wei Xiong , Jipeng Zhang , Runtao Liu , Rui Pan , Tong Zhang

Diffusion Language Models (dLLMs) have emerged as promising alternatives to Auto-Regressive (AR) models. While recent efforts have validated their pre-training potential and accelerated inference speeds, the post-training landscape for…

机器学习 · 计算机科学 2026-01-07 Ying Zhu , Jiaxin Wan , Xiaoran Liu , Siyang He , Qiqi Wang , Xu Guo , Tianyi Liang , Zengfeng Huang , Ziwei He , Xipeng Qiu

Large Language Models (LLMs) have exhibited remarkable performance across a wide range of domains, motivating research into their potential for recommendation systems. Early efforts have leveraged LLMs' rich knowledge and strong…

信息检索 · 计算机科学 2025-04-03 Chao Sun , Yaobo Liang , Yaming Yang , Shilin Xu , Tianmeng Yang , Yunhai Tong

Large language models (LLMs) with instruction fine-tuning demonstrate superior generative capabilities. However, these models are resource-intensive. To alleviate this issue, we explore distilling knowledge from instruction-tuned LLMs into…

计算与语言 · 计算机科学 2024-01-30 Minghao Wu , Abdul Waheed , Chiyu Zhang , Muhammad Abdul-Mageed , Alham Fikri Aji

Code generation models have shown significant potential for programming tasks. However, existing training methods like supervised fine-tuning face key limitations: they do not effectively teach models to prioritize correct over incorrect…

软件工程 · 计算机科学 2025-06-04 Kechi Zhang , Ge Li , Yihong Dong , Jingjing Xu , Jun Zhang , Jing Su , Yongfei Liu , Zhi Jin