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Related papers: Steering Protein Language Models

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We propose ProtLLM, a versatile cross-modal large language model (LLM) for both protein-centric and protein-language tasks. ProtLLM features a unique dynamic protein mounting mechanism, enabling it to handle complex inputs where the natural…

Biomolecules · Quantitative Biology 2024-03-14 Le Zhuo , Zewen Chi , Minghao Xu , Heyan Huang , Heqi Zheng , Conghui He , Xian-Ling Mao , Wentao Zhang

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…

Steering, or direct manipulation of internal activations to guide LLM responses toward specific semantic concepts, is emerging as a promising avenue for both understanding how semantic concepts are stored within LLMs and advancing LLM…

Machine Learning · Computer Science 2026-02-03 Parmida Davarmanesh , Ashia Wilson , Adityanarayanan Radhakrishnan

Considering the significance of proteins, computational protein science has always been a critical scientific field, dedicated to revealing knowledge and developing applications within the protein sequence-structure-function paradigm. In…

Computational Engineering, Finance, and Science · Computer Science 2025-01-28 Wenqi Fan , Yi Zhou , Shijie Wang , Yuyao Yan , Hui Liu , Qian Zhao , Le Song , Qing Li

Recent work in activation steering has demonstrated the potential to better control the outputs of Large Language Models (LLMs), but it involves finding steering vectors. This is difficult because engineers do not typically know how…

Computation and Language · Computer Science 2023-12-08 Ole Jorgensen , Dylan Cope , Nandi Schoots , Murray Shanahan

Autonomous tuning of particle accelerators is an active and challenging field of research with the goal of enabling novel accelerator technologies cutting-edge high-impact applications, such as physics discovery, cancer research and…

Computation and Language · Computer Science 2024-05-16 Jan Kaiser , Annika Eichler , Anne Lauscher

Protein language models (pLMs), pre-trained via causal language modeling on protein sequences, have been a promising tool for protein sequence design. In real-world protein engineering, there are many cases where the amino acids in the…

Machine Learning · Computer Science 2023-03-30 Youhan Lee , Hasun Yu

Recent advances in Protein Language Models (PLMs) have transformed protein engineering, yet unlike their counterparts in Natural Language Processing (NLP), current PLMs exhibit a fundamental limitation: they excel in either Protein Language…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Liuzhenghao Lv , Zongying Lin , Hao Li , Yuyang Liu , Jiaxi Cui , Calvin Yu-Chian Chen , Li Yuan , Yonghong Tian

Large language models (LLMs) exhibit reasoning biases, often conflating content plausibility with formal logical validity. This can lead to wrong inferences in critical domains, where plausible arguments are incorrectly deemed logically…

Artificial Intelligence · Computer Science 2026-04-02 Marco Valentino , Geonhee Kim , Dhairya Dalal , Zhixue Zhao , André Freitas

Protein research is crucial in various fundamental disciplines, but understanding their intricate structure-function relationships remains challenging. Recent Large Language Models (LLMs) have made significant strides in comprehending…

Computational Engineering, Finance, and Science · Computer Science 2025-01-24 Chao Wang , Hehe Fan , Ruijie Quan , Yi Yang

We explore optimally training protein language models, an area of significant interest in biological research where guidance on best practices is limited. Most models are trained with extensive compute resources until performance gains…

Machine Learning · Computer Science 2024-11-05 Xingyi Cheng , Bo Chen , Pan Li , Jing Gong , Jie Tang , Le Song

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

Machine Learning · Computer Science 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott

The memorization of training data by Large Language Models (LLMs) poses significant risks, including privacy leaks and the regurgitation of copyrighted content. Activation steering, a technique that directly intervenes in model activations,…

Computation and Language · Computer Science 2025-03-11 Manan Suri , Nishit Anand , Amisha Bhaskar

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have…

Quantitative Methods · Quantitative Biology 2024-01-29 Dexiong Chen , Philip Hartout , Paolo Pellizzoni , Carlos Oliver , Karsten Borgwardt

Large language models can be steered at inference time through prompting or activation interventions, but activation steering methods often underperform compared to prompt-based approaches. We propose a framework that formulates prompt…

Computation and Language · Computer Science 2026-05-06 Geert Heyman , Frederik Vandeputte

Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Traditional physics-based simulation methods often struggle with…

Biomolecules · Quantitative Biology 2025-03-14 Jiarui Lu , Xiaoyin Chen , Stephen Zhewen Lu , Chence Shi , Hongyu Guo , Yoshua Bengio , Jian Tang

This paper investigates how Large Language Models (LLMs) represent non-English tokens -- a question that remains underexplored despite recent progress. We propose a lightweight intervention method using representation steering, where a…

Computation and Language · Computer Science 2025-08-27 Omar Mahmoud , Buddhika Laknath Semage , Thommen George Karimpanal , Santu Rana

Large language models (LLMs) are widely applied in various natural language processing tasks such as question answering and machine translation. However, due to the lack of labeled data and the difficulty of manual annotation for…

Artificial Intelligence · Computer Science 2026-05-27 Xuan Lin , Long Chen , Yile Wang , Yangyang Chen , Xiangxiang Zeng

Language models (LMs) automatically learn word embeddings during pre-training on language corpora. Although word embeddings are usually interpreted as feature vectors for individual words, their roles in language model generation remain…

Computation and Language · Computer Science 2024-06-07 Chi Han , Jialiang Xu , Manling Li , Yi Fung , Chenkai Sun , Nan Jiang , Tarek Abdelzaher , Heng Ji

The conditional generation of proteins with desired functions is a key goal for generative models. Existing methods based on prompting of protein language models (PLMs) can generate proteins conditioned on a target functionality, such as a…

Biomolecules · Quantitative Biology 2025-06-13 Jason Yang , Aadyot Bhatnagar , Jeffrey A. Ruffolo , Ali Madani