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Protein Language Models (PLMs), pre-trained on extensive evolutionary data from natural proteins, have emerged as indispensable tools for protein design. While powerful, PLMs often struggle to produce proteins with precisely specified…

Biomolecules · Quantitative Biology 2025-09-15 Long-Kai Huang , Rongyi Zhu , Bing He , Jianhua Yao

Protein sequences are abundant in repeating segments, both as exact copies and as approximate segments with mutations. These repeats are important for protein structure and function, motivating decades of algorithmic work on repeat…

Machine Learning · Computer Science 2026-05-26 Gal Pomerants , Yaniv Nikankin , Anja Reusch , Tomer Tsaban , Ora Schueler-Furman , Yonatan Belinkov

Protein language models (PLMs) have demonstrated remarkable success in protein modeling and design, yet their internal mechanisms for predicting structure and function remain poorly understood. Here we present a systematic approach to…

Biomolecules · Quantitative Biology 2024-12-18 Elana Simon , James Zou

Pretrained language models (PLMs) form the basis of most state-of-the-art NLP technologies. Nevertheless, they are essentially black boxes: Humans do not have a clear understanding of what knowledge is encoded in different parts of the…

Computation and Language · Computer Science 2023-11-15 Tanja Baeumel , Soniya Vijayakumar , Josef van Genabith , Guenter Neumann , Simon Ostermann

Deep neural-network-based language models (LMs) are increasingly applied to large-scale protein sequence data to predict protein function. However, being largely black-box models and thus challenging to interpret, current protein LM…

Quantitative Methods · Quantitative Biology 2024-08-06 Mai Ha Vu , Rahmad Akbar , Philippe A. Robert , Bartlomiej Swiatczak , Victor Greiff , Geir Kjetil Sandve , Dag Trygve Truslew Haug

Neural language models have become powerful tools for learning complex representations of entities in natural language processing tasks. However, their interpretability remains a significant challenge, particularly in domains like…

Machine Learning · Computer Science 2023-12-19 Divya Nori , Shivali Singireddy , Marina Ten Have

Large language models (LLMs) exhibit remarkable capabilities across a wide range of tasks, yet their internal mechanisms remain largely opaque. In this paper, we introduce a simple, lightweight, and broadly applicable method with a focus on…

Computation and Language · Computer Science 2025-11-27 Yixiu Zhao , Xiaozhi Wang , Zijun Yao , Lei Hou , Juanzi Li

Code language models excel on code intelligence tasks, yet their internal interpretability is underexplored. Existing neuron interpretability techniques from NLP are suboptimal for source code due to programming languages formal,…

Software Engineering · Computer Science 2026-03-20 Zhe Yin , Xiaodong Gu , Beijun Shen

At the intersection of the rapidly growing biological data landscape and advancements in Natural Language Processing (NLP), protein language models (PLMs) have emerged as a transformative force in modern research. These models have achieved…

Biomolecules · Quantitative Biology 2025-02-12 Lei Wang , Xudong Li , Han Zhang , Jinyi Wang , Dingkang Jiang , Zhidong Xue , Yan Wang

Current decoder-based pre-trained language models (PLMs) successfully demonstrate multilingual capabilities. However, it is unclear how these models handle multilingualism. We analyze the neuron-level internal behavior of multilingual…

Computation and Language · Computer Science 2024-04-04 Takeshi Kojima , Itsuki Okimura , Yusuke Iwasawa , Hitomi Yanaka , Yutaka Matsuo

We introduce Concept Bottleneck Protein Language Models (CB-pLM), a generative masked language model with a layer where each neuron corresponds to an interpretable concept. Our architecture offers three key benefits: i) Control: We can…

Despite rapid adoption and deployment of large language models (LLMs), the internal computations of these models remain opaque and poorly understood. In this work, we seek to understand how high-level human-interpretable features are…

Machine Learning · Computer Science 2023-06-06 Wes Gurnee , Neel Nanda , Matthew Pauly , Katherine Harvey , Dmitrii Troitskii , Dimitris Bertsimas

Pervasive polysemanticity in large language models (LLMs) undermines discrete neuron-concept attribution, posing a significant challenge for model interpretation and control. We systematically analyze both encoder and decoder based LLMs…

Machine Learning · Computer Science 2026-04-13 Muhammad Umair Haider , Hammad Rizwan , Hassan Sajjad , Peizhong Ju , A. B. Siddique

Representation learning and \emph{de novo} generation of proteins are pivotal computational biology tasks. Whilst natural language processing (NLP) techniques have proven highly effective for protein sequence modelling, structure modelling…

Quantitative Methods · Quantitative Biology 2025-01-08 Benoit Gaujac , Jérémie Donà , Liviu Copoiu , Timothy Atkinson , Thomas Pierrot , Thomas D. Barrett

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential…

Machine Learning · Computer Science 2023-02-10 Zaixiang Zheng , Yifan Deng , Dongyu Xue , Yi Zhou , Fei YE , Quanquan Gu

Accurate comprehension and controllable generation of emotion and rhetoric are pivotal for enhancing the reasoning capabilities of large language models (LLMs). Existing studies mostly rely on external optimizations, lacking in-depth…

Computation and Language · Computer Science 2026-04-21 Li Zheng , Xin Zhang , Shuyi He , Fei Li , Chong Teng , Jiangming Yang , Donghong Ji , Zhuang Li

Artificial Neural Networks, the building blocks of AI, were inspired by the human brain's network of neurons. Over the years, these networks have evolved to replicate the complex capabilities of the brain, allowing them to handle tasks such…

Neurons and Cognition · Quantitative Biology 2025-11-11 Sanaz Saki Norouzi , Mohammad Masjedi , Pascal Hitzler

Projecting visual features into word embedding space has become a significant fusion strategy adopted by Multimodal Large Language Models (MLLMs). However, its internal mechanisms have yet to be explored. Inspired by multilingual research,…

Computation and Language · Computer Science 2025-05-21 Jiahao Huo , Yibo Yan , Boren Hu , Yutao Yue , Xuming Hu

The 21st century is presenting humankind with unprecedented environmental and medical challenges. The ability to design novel proteins tailored for specific purposes could transform our ability to respond timely to these issues. Recent…

Biomolecules · Quantitative Biology 2022-08-24 Noelia Ferruz , Birte Höcker

Large Language Models (LLMs) have revolutionized the field of natural language processing, but they fall short in comprehending biological sequences such as proteins. To address this challenge, we propose InstructProtein, an innovative LLM…

Biomolecules · Quantitative Biology 2023-10-06 Zeyuan Wang , Qiang Zhang , Keyan Ding , Ming Qin , Xiang Zhuang , Xiaotong Li , Huajun Chen
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