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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…

Computation and Language · Computer Science 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…

Computation and Language · Computer Science 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…

Computation and Language · Computer Science 2022-09-23 Xingdi Yuan , Tong Wang , Yen-Hsiang Wang , Emery Fine , Rania Abdelghani , Pauline Lucas , Hélène Sauzéon , Pierre-Yves Oudeyer

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…

Computer Vision and Pattern Recognition · Computer Science 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…

Computation and Language · Computer Science 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…

Machine Learning · Computer Science 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…

Computation and Language · Computer Science 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…

Computation and Language · Computer Science 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…

Software Engineering · Computer Science 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…

Machine Learning · Computer Science 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…

Computation and Language · Computer Science 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…

Computation and Language · Computer Science 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…

Computer Vision and Pattern Recognition · Computer Science 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…

Artificial Intelligence · Computer Science 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…

Computation and Language · Computer Science 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…

Computation and Language · Computer Science 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…

Machine Learning · Computer Science 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…

Information Retrieval · Computer Science 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…

Computation and Language · Computer Science 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…

Software Engineering · Computer Science 2025-06-04 Kechi Zhang , Ge Li , Yihong Dong , Jingjing Xu , Jun Zhang , Jing Su , Yongfei Liu , Zhi Jin