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Automated interpretability research aims to identify concepts encoded in neural network features to enhance human understanding of model behavior. Within the context of large language models (LLMs) for natural language processing (NLP),…

Machine Learning · Computer Science 2025-11-13 Laura Kopf , Nils Feldhus , Kirill Bykov , Philine Lou Bommer , Anna Hedström , Marina M. -C. Höhne , Oliver Eberle

Understanding and shaping the behaviour of Large Language Models (LLMs) is increasingly important as applications become more powerful and more frequently adopted. This paper introduces a machine unlearning method specifically designed for…

Machine Learning · Computer Science 2024-07-25 Nicholas Pochinkov , Nandi Schoots

Large language models (LLMs) demonstrate remarkable multilingual capabilities without being pre-trained on specially curated multilingual parallel corpora. It remains a challenging problem to explain the underlying mechanisms by which LLMs…

Computation and Language · Computer Science 2024-06-07 Tianyi Tang , Wenyang Luo , Haoyang Huang , Dongdong Zhang , Xiaolei Wang , Xin Zhao , Furu Wei , Ji-Rong Wen

Some neurons in deep networks specialize in recognizing highly specific perceptual, structural, or semantic features of inputs. In computer vision, techniques exist for identifying neurons that respond to individual concept categories like…

Computer Vision and Pattern Recognition · Computer Science 2022-04-19 Evan Hernandez , Sarah Schwettmann , David Bau , Teona Bagashvili , Antonio Torralba , Jacob Andreas

Interpreting individual neurons in deep neural networks is a crucial step towards understanding their complex decision-making processes and ensuring AI safety. Despite recent progress in neuron labeling, existing methods often limit the…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Vladimir Zaigrajew , Michał Piechota , Gaspar Sekula , Paweł Gelar , Przemysław Biecek

While feed-forward neurons in pre-trained language models (PLMs) can encode knowledge, past research targeted a small subset of neurons that heavily influence outputs. This leaves the broader role of neuron activations unclear, limiting…

Computation and Language · Computer Science 2025-06-03 Xin Zhao , Zehui Jiang , Naoki Yoshinaga

Activation steering methods in large language models (LLMs) have emerged as an effective way to perform targeted updates to enhance generated language without requiring large amounts of adaptation data. We ask whether the features…

Computation and Language · Computer Science 2025-11-05 Masha Fedzechkina , Eleonora Gualdoni , Sinead Williamson , Katherine Metcalf , Skyler Seto , Barry-John Theobald

Protein language models (PLMs) learn contextual representations from protein sequences and are profoundly impacting various scientific disciplines spanning protein design, drug discovery, and structural predictions. One particular research…

Quantitative Methods · Quantitative Biology 2024-02-07 Andreas Dounas , Tudor-Stefan Cotet , Alexander Yermanos

Large language models (LLMs) exhibit strong multilingual abilities, yet the neural mechanisms behind language-specific processing remain unclear. We analyze language-specific neurons in Llama-3.1-8B, Mistral-Nemo-12B, and Aya-Expanse-8B &…

Computation and Language · Computer Science 2025-11-04 Daniil Gurgurov , Katharina Trinley , Yusser Al Ghussin , Tanja Baeumel , Josef van Genabith , Simon Ostermann

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

Behavioral alignment in large language models (LLMs) is often achieved through broad fine-tuning, which can result in undesired side effects like distributional shift and low interpretability. We propose a method for alignment that…

Machine Learning · Computer Science 2026-01-28 Claire O'Brien , Jessica Seto , Dristi Roy , Aditya Dwivedi , Sunishchal Dev , Kevin Zhu , Sean O'Brien , Ashwinee Panda , Ryan Lagasse

Large language models (LLMs) encode a diverse range of linguistic features within their latent representations, which can be harnessed to steer their output toward specific target characteristics. In this paper, we modify the internal…

Computation and Language · Computer Science 2025-02-27 Sumanta Bhattacharyya , Pedram Rooshenas

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

Multilingual language models (MLLMs) have demonstrated remarkable abilities to transfer knowledge across languages, despite being trained without explicit cross-lingual supervision. We analyze the parameter spaces of three MLLMs to study…

Computation and Language · Computer Science 2025-06-03 Frederick Riemenschneider , Anette Frank

Large Language Models (LLMs) typically have billions of parameters and are thus often difficult to interpret in their operation. In this work, we demonstrate that it is possible to decode neuron weights directly into token probabilities…

Computation and Language · Computer Science 2025-03-03 Harry J Davies

Protein language models (pLMs) have demonstrated success at generating functional proteins across vast sequence spaces but lack the ability to design high-fitness variants on demand. Here, we iteratively guide pLMs toward user-defined…

Biomolecules · Quantitative Biology 2025-12-01 Filippo Stocco , Maria Artigues-Lleixa , Andrea Hunklinger , Talal Widatalla , Marc Guell , Noelia Ferruz

Semantic role labeling (SRL) is a crucial task of natural language processing (NLP). Although generative decoder-based large language models (LLMs) have achieved remarkable success across various NLP tasks, they still lag behind…

Computation and Language · Computer Science 2025-06-09 Xinxin Li , Huiyao Chen , Chengjun Liu , Jing Li , Meishan Zhang , Jun Yu , Min Zhang

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar

Large language models (LLMs) have revolutionized the field of natural language processing (NLP), and recent studies have aimed to understand their underlying mechanisms. However, most of this research is conducted within a monolingual…

Computation and Language · Computer Science 2025-09-29 Weixuan Wang , Barry Haddow , Minghao Wu , Wei Peng , Alexandra Birch

For protein sequence datasets, unlabeled data has greatly outpaced labeled data due to the high cost of wet-lab characterization. Recent deep-learning approaches to protein prediction have shown that pre-training on unlabeled data can yield…

Machine Learning · Computer Science 2020-12-02 Pascal Sturmfels , Jesse Vig , Ali Madani , Nazneen Fatema Rajani