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Protein language models (PLMs) have revolutionised computational biology through their ability to generate powerful sequence representations for diverse prediction tasks. However, their black-box nature limits biological interpretation and…

Biomolecules · Quantitative Biology 2025-04-11 Jan van Eck , Dea Gogishvili , Wilson Silva , Sanne Abeln

Interpretability methods for large language models (LLMs) typically derive directions from textual supervision, which can lack external grounding. We propose using human brain activity not as a training signal but as a coordinate system for…

Machine Learning · Computer Science 2025-12-24 Sandro Andric

Deep learning approaches have produced substantial breakthroughs in fields such as image classification and natural language processing and are making rapid inroads in the area of protein design. Many generative models of proteins have been…

Machine Learning · Computer Science 2021-09-29 Alexey Strokach , Philip M. Kim

Recent advances have greatly increased the capabilities of large language models (LLMs), but our understanding of the models and their safety has not progressed as fast. In this paper we aim to understand LLMs deeper by studying their…

Computation and Language · Computer Science 2023-10-12 Justin Lee , Tuomas Oikarinen , Arjun Chatha , Keng-Chi Chang , Yilan Chen , Tsui-Wei Weng

Objectives: The vast and complex nature of human genomic sequencing data presents challenges for effective analysis. This review aims to investigate the application of Natural Language Processing (NLP) techniques, particularly Large…

Genomics · Quantitative Biology 2025-02-28 Shuyan Cheng , Yishu Wei , Yiliang Zhou , Zihan Xu , Drew N Wright , Jinze Liu , Yifan Peng

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…

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

Large language models (LLMs) are having transformative impacts across a wide range of scientific fields, particularly in the biomedical sciences. Just as the goal of Natural Language Processing is to understand sequences of words, a major…

Genomics · Quantitative Biology 2024-09-24 Gonzalo Benegas , Chengzhong Ye , Carlos Albors , Jianan Canal Li , Yun S. Song

The burgeoning growth of open-sourced vision-language models (VLMs) has catalyzed a plethora of applications across diverse domains. Ensuring the transparency and interpretability of these models is critical for fostering trustworthy and…

Neurons and Cognition · Quantitative Biology 2025-09-25 Jiaqi Xu , Cuiling Lan , Yan Lu

Current Large Language Models (LLMs) for understanding proteins primarily treats amino acid sequences as a text modality. Meanwhile, Protein Language Models (PLMs), such as ESM-2, have learned massive sequential evolutionary knowledge from…

Machine Learning · Computer Science 2024-12-17 Nuowei Liu , Changzhi Sun , Tao Ji , Junfeng Tian , Jianxin Tang , Yuanbin Wu , Man Lan

Neuron-level interpretation in large language models (LLMs) is fundamentally challenged by widespread polysemanticity, where individual neurons respond to multiple distinct semantic concepts. Existing single-pass interpretation methods…

Computation and Language · Computer Science 2026-01-08 Weiqi Liu , Yongliang Miao , Haiyan Zhao , Yanguang Liu , Mengnan Du

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

Pretrained Language Models (PLMs) such as BERT have revolutionized the landscape of Natural Language Processing (NLP). Inspired by their proliferation, tremendous efforts have been devoted to Pretrained Graph Models (PGMs). Owing to the…

Machine Learning · Computer Science 2022-03-22 Jun Xia , Yanqiao Zhu , Yuanqi Du , Stan Z. Li

Language-specific neurons in LLMs that strongly correlate with individual languages have been shown to influence model behavior by deactivating them. However, their role in amplification remains underexplored. This work investigates the…

Ultra Strong Machine Learning (USML) refers to symbolic learning systems that not only improve their own performance but can also teach their acquired knowledge to quantifiably improve human performance. We introduce LENS (Logic Programming…

Artificial Intelligence · Computer Science 2026-01-28 Lun Ai , Johannes Langer , Ute Schmid , Stephen Muggleton

Cells regulate themselves via dizzyingly complex biochemical processes called signaling pathways. These are usually depicted as a network, where nodes represent proteins and edges indicate their influence on each other. In order to…

Molecular Networks · Quantitative Biology 2021-01-13 David Merrell , Anthony Gitter

Recent advances in Natural Language Processing (NLP) have ignited interest in developing effective methods for predicting protein-ligand interactions (PLIs) given their relevance to drug discovery and protein engineering efforts and the…

Quantitative Methods · Quantitative Biology 2024-10-18 James Michels , Ramya Bandarupalli , Amin Ahangar Akbari , Thai Le , Hong Xiao , Jing Li , Erik F. Y. Hom

Large language models (LLMs) have achieved impressive results in natural language processing but are prone to memorizing portions of their training data, which can compromise evaluation metrics, raise privacy concerns, and limit…

Machine Learning · Computer Science 2024-12-03 Eduardo Slonski

Understanding the internal mechanisms by which multi-modal large language models (LLMs) interpret different modalities and integrate cross-modal representations is becoming increasingly critical for continuous improvements in both academia…

Computation and Language · Computer Science 2024-06-12 Haowen Pan , Yixin Cao , Xiaozhi Wang , Xun Yang , Meng Wang
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