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Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

Code generation models have shown significant potential for automating programming tasks. However, the challenge of generating accurate and reliable code persists due to the highly complex and long-reasoning nature of the task. Even…

Software Engineering · Computer Science 2025-06-04 Kechi Zhang , Ge Li , Jia Li , Yihong Dong , Jia Li , Zhi Jin

Preference learning extends the performance of Code LLMs beyond traditional supervised fine-tuning by leveraging relative quality comparisons. In existing approaches, a set of n candidate solutions is evaluated based on test case success…

Computation and Language · Computer Science 2025-10-10 Jie Wu , Haoling Li , Xin Zhang , Xiao Liu , Yangyu Huang , Jianwen Luo , Yizhen Zhang , Zuchao Li , Ruihang Chu , Yujiu Yang , Scarlett Li

Recently, there has been significant interest in replacing the reward model in Reinforcement Learning with Human Feedback (RLHF) methods for Large Language Models (LLMs), such as Direct Preference Optimization (DPO) and its variants. These…

Computation and Language · Computer Science 2024-09-27 Jian Li , Haojing Huang , Yujia Zhang , Pengfei Xu , Xi Chen , Rui Song , Lida Shi , Jingwen Wang , Hao Xu

Recent alignment methods based on Direct Preference Optimization (DPO) reformulate preference learning as supervised optimization over pairwise comparisons, offering improved efficiency and stability over reinforcement learning from human…

Machine Learning · Computer Science 2026-01-22 Yuhui Sun , Xiyao Wang , Zixi Li , YiTian Ding , Tianyang Ling , Jialuo Chen , Tianyi Yu , Zhenlong Yuan , Jinman Zhao

Post-training of language models, either through reinforcement learning, preference optimization or supervised finetuning, tends to sharpen the output probability distribution and reduce the diversity of generated responses. This is…

Computation and Language · Computer Science 2025-05-23 Jack Lanchantin , Angelica Chen , Shehzaad Dhuliawala , Ping Yu , Jason Weston , Sainbayar Sukhbaatar , Ilia Kulikov

Recent advancements in large language model alignment leverage token-level supervisions to perform fine-grained preference optimization. However, existing token-level alignment methods either optimize on all available tokens, which can be…

Computation and Language · Computer Science 2025-11-07 Kailai Yang , Zhiwei Liu , Qianqian Xie , Jimin Huang , Erxue Min , Sophia Ananiadou

Direct Preference Optimization (DPO) is a widely adopted offline algorithm for preference-based reinforcement learning from human feedback (RLHF), designed to improve training simplicity and stability by redefining reward functions.…

Computation and Language · Computer Science 2025-05-30 Gengxu Li , Tingyu Xia , Yi Chang , Yuan Wu

Designing proteins with specific attributes offers an important solution to address biomedical challenges. Pre-trained protein large language models (LLMs) have shown promising results on protein sequence generation. However, to control…

Artificial Intelligence · Computer Science 2025-01-28 Xiangyu Liu , Yi Liu , Silei Chen , Wei Hu

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

Machine Learning · Computer Science 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

In large language model (LLM)-based recommendation systems, direct preference optimization (DPO) effectively aligns recommendations with user preferences, requiring multi-negative objective functions to leverage abundant implicit-feedback…

Information Retrieval · Computer Science 2026-05-04 Xingyu Hu , Kai Zhang , Jiancan Wu , Shuli Wang , Chi Wang , Wenshuai Chen , Yinhua Zhu , Haitao Wang , Xingxing Wang , Xiang Wang

Visual programming languages (VPLs) allow users to create programs through graphical interfaces, which results in easier accessibility and their widespread usage in various domains. To further enhance this accessibility, recent research has…

Computation and Language · Computer Science 2025-05-26 Deokhyung Kang , Jeonghun Cho , Yejin Jeon , Sunbin Jang , Minsub Lee , Jawoon Cho , Gary Geunbae Lee

Designing protein sequences with optimal energetic stability is a key challenge in protein inverse folding, as current deep learning methods are primarily trained by maximizing sequence recovery rates, often neglecting the energy of the…

Machine Learning · Computer Science 2025-06-12 Dingyi Rong , Haotian Lu , Wenzhuo Zheng , Fan Zhang , Shuangjia Zheng , Ning Liu

Mathematical reasoning presents a significant challenge for Large Language Models (LLMs) as it requires ensuring the correctness of each reasoning step. Researchers have been strengthening the mathematical reasoning abilities of LLMs…

Machine Learning · Computer Science 2025-06-23 Yunze Lin

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

In the era of AI-driven science and engineering, we often want to design discrete objects in silico according to user-specified properties. For example, we may wish to design a protein to bind its target, arrange components within a circuit…

Machine Learning · Computer Science 2026-03-03 James C. Bowden , Sergey Levine , Jennifer Listgarten

Direct Preference Optimisation (DPO) has emerged as a powerful method for aligning Large Language Models (LLMs) with human preferences, offering a stable and efficient alternative to approaches that use Reinforcement learning via Human…

Artificial Intelligence · Computer Science 2025-05-06 Sarvesh Shashidhar , Ritik , Nachiketa Patil , Suraj Racha , Ganesh Ramakrishnan

Protein language models have emerged as powerful tools for sequence generation, offering substantial advantages in functional optimization and denovo design. However, these models also present significant risks of generating harmful protein…

Artificial Intelligence · Computer Science 2025-07-16 Yuhao Wang , Keyan Ding , Kehua Feng , Zeyuan Wang , Ming Qin , Xiaotong Li , Qiang Zhang , Huajun Chen

The effectiveness of Direct Preference Optimization (DPO) depends on preference data that reflect the quality differences that matter in multimodal tasks. Existing pipelines often rely on off-policy perturbations or coarse outcome-based…

Computer Vision and Pattern Recognition · Computer Science 2026-04-15 Ya-Qi Yu , Fangyu Hong , Xiangyang Qu , Hao Wang , Gaojie Wu , Qiaoyu Luo , Nuo Xu , Huixin Wang , Wuheng Xu , Yongxin Liao , Zihao Chen , Haonan Li , Ziming Li , Dezhi Peng , Minghui Liao , Jihao Wu , Haoyu Ren , Dandan Tu

Designing DNA and protein sequences with improved function has the potential to greatly accelerate synthetic biology. Machine learning models that accurately predict biological fitness from sequence are becoming a powerful tool for…

Machine Learning · Computer Science 2022-03-17 Johannes Linder , Georg Seelig