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Related papers: Steering Protein Language Models

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Code LLMs often default to particular programming languages and libraries under neutral prompts. We investigate whether these preferences are encoded as approximately linear directions in activation space that can be manipulated at…

Machine Learning · Computer Science 2026-03-30 Md Mahbubur Rahman , Arjun Guha , Harshitha Menon

Masked diffusion language models (MDLMs) generate text via iterative masked-token denoising, enabling mask-parallel decoding and distinct controllability and efficiency tradeoffs from autoregressive LLMs. Yet, efficient representation-level…

Computation and Language · Computer Science 2026-03-31 Adi Shnaidman , Erin Feiglin , Osher Yaari , Efrat Mentel , Amit Levi , Raz Lapid

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

Artificial Intelligence · Computer Science 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang

Large language models have transformed AI, yet reliably controlling their outputs remains a challenge. This paper explores activation engineering, where outputs of pre-trained LLMs are controlled by manipulating their activations at…

Neural and Evolutionary Computing · Computer Science 2025-05-13 Joris Postmus , Steven Abreu

Aligning large language models (LLMs) with human objectives is crucial for real-world applications. However, fine-tuning LLMs for alignment often suffers from unstable training and requires substantial computing resources. Test-time…

Artificial Intelligence · Computer Science 2024-11-05 Lingkai Kong , Haorui Wang , Wenhao Mu , Yuanqi Du , Yuchen Zhuang , Yifei Zhou , Yue Song , Rongzhi Zhang , Kai Wang , Chao Zhang

Recent advances in large language models (LLMs) have led to the development of thinking language models that generate extensive internal reasoning chains before producing responses. While these models achieve improved performance,…

Machine Learning · Computer Science 2025-10-23 Constantin Venhoff , Iván Arcuschin , Philip Torr , Arthur Conmy , Neel Nanda

Large Language Models (LLMs) have the potential to revolutionize automated traceability by overcoming the challenges faced by previous methods and introducing new possibilities. However, the optimal utilization of LLMs for automated…

Software Engineering · Computer Science 2023-08-02 Alberto D. Rodriguez , Katherine R. Dearstyne , Jane Cleland-Huang

Even after fine-tuning and reinforcement learning, large language models (LLMs) can be difficult, if not impossible, to control reliably with prompts alone. We propose a new inference-time approach to enforcing syntactic and semantic…

Artificial Intelligence · Computer Science 2023-11-28 Alexander K. Lew , Tan Zhi-Xuan , Gabriel Grand , Vikash K. Mansinghka

The parallels between protein sequences and natural language in their sequential structures have inspired the application of large language models (LLMs) to protein understanding. Despite the success of LLMs in NLP, their effectiveness in…

Quantitative Methods · Quantitative Biology 2024-07-09 Yiqing Shen , Zan Chen , Michail Mamalakis , Luhan He , Haiyang Xia , Tianbin Li , Yanzhou Su , Junjun He , Yu Guang Wang

Large language models have made remarkable progress in the field of molecular science, particularly in understanding and generating functional small molecules. This success is largely attributed to the effectiveness of molecular…

Biomolecules · Quantitative Biology 2025-03-14 Zicheng Ma , Chuanliu Fan , Zhicong Wang , Zhenyu Chen , Xiaohan Lin , Yanheng Li , Shihao Feng , Jun Zhang , Ziqiang Cao , Yi Qin Gao

Large language models (LLMs) have demonstrated significant success in natural language processing (NLP) tasks and have shown promising results in other domains such as protein sequence generation. However, there remain salient differences…

Biomolecules · Quantitative Biology 2024-11-12 Aayush Shah , Shankar Jayaratnam

Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has broadened exploration and enabled precise multi-objective…

While protein language models (pLMs) have transformed biological research, the scaling laws governing their improvement remain underexplored. By adapting methodologies from NLP scaling laws, we investigated the optimal ratio between model…

Biomolecules · Quantitative Biology 2024-06-27 Yaiza Serrano , Álvaro Ciudad , Alexis Molina

The rapid advancements in Large Language Models (LLMs) have revolutionized natural language processing (NLP) and related fields. However, fine-tuning these models for specific tasks remains computationally expensive and risks degrading…

Computation and Language · Computer Science 2024-12-17 Md Kowsher , Nusrat Jahan Prottasha , Prakash Bhat

Designing proteins de novo with tailored structural, physicochemical, and functional properties remains a grand challenge in biotechnology, medicine, and materials science, due to the vastness of sequence space and the complex coupling…

Artificial Intelligence · Computer Science 2025-12-01 Fiona Y. Wang , Di Sheng Lee , David L. Kaplan , Markus J. Buehler

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

Machine Learning · Computer Science 2024-10-18 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Language modeling studies the probability distributions over strings of texts. It is one of the most fundamental tasks in natural language processing (NLP). It has been widely used in text generation, speech recognition, machine…

Computation and Language · Computer Science 2024-07-18 Chengwei Wei , Yun-Cheng Wang , Bin Wang , C. -C. Jay Kuo

Data-driven modeling based on Machine Learning (ML) is becoming a central component of protein engineering workflows. This perspective presents the elements necessary to develop effective, reliable, and reproducible ML models, and a set of…

Biomolecules · Quantitative Biology 2025-07-11 Fabio Herrera-Rocha , David Medina-Ortiz , Fabian Mauz , Juergen Pleiss , Mehdi D. Davari

We introduce a pioneering methodology for boosting large language models in the domain of protein representation learning. Our primary contribution lies in the refinement process for correlating the over-reliance on co-evolution knowledge,…

Artificial Intelligence · Computer Science 2024-12-05 Yaoyao Xu , Xinjian Zhao , Xiaozhuang Song , Benyou Wang , Tianshu Yu

Directed evolution is an iterative laboratory process of designing proteins with improved function by iteratively synthesizing new protein variants and evaluating their desired property with expensive and time-consuming biochemical…

Machine Learning · Computer Science 2025-09-08 Matouš Soldát , Jiří Kléma
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