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Many features in pretrained Transformers span multiple layers: they emerge through stages of inference, persist in the residual stream, or are built jointly by parallel MLPs. Crosscoders (namely, sparse dictionaries trained jointly across…

Machine Learning · Computer Science 2026-05-12 Andreas D. Demou , Panagiotis Koromilas , James Oldfield , Yannis Panagakis , Mihalis A. Nicolaou

Protein folding is the intricate process by which a linear sequence of amino acids self-assembles into a unique three-dimensional structure. Protein folding kinetics is the study of pathways and time-dependent mechanisms a protein undergoes…

Machine Learning · Computer Science 2023-09-19 Vijay Arvind. R , Haribharathi Sivakumar , Brindha. R

Transformer-based language models create hidden representations of their inputs at every layer, but only use final-layer representations for prediction. This obscures the internal decision-making process of the model and the utility of its…

Computation and Language · Computer Science 2024-06-21 Alexander Yom Din , Taelin Karidi , Leshem Choshen , Mor Geva

Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and their amino acid sequences remains a core challenge in…

Quantitative Methods · Quantitative Biology 2024-11-04 Liang He , Peiran Jin , Yaosen Min , Shufang Xie , Lijun Wu , Tao Qin , Xiaozhuan Liang , Kaiyuan Gao , Yuliang Jiang , Tie-Yan Liu

Specializing large language models (LLMs) for local deployment in domain-specific use cases is necessary for strong performance while meeting latency and privacy constraints. However, conventional task-specific adaptation approaches do not…

Machine Learning · Computer Science 2024-12-20 Lanxiang Hu , Tajana Rosing , Hao Zhang

Transformer-based vision-language models (VLMs) contain substantial depth redundancy, yet the effect of removing specific decoder layers remains poorly understood, especially for domains that require tight coupling between perception and…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Saeed Khaki , Nima Safaei , Kamal Ginotra

In real world, large language models (LLMs) can serve as the assistant to help users accomplish their jobs, and also support the development of advanced applications. For the wide application of LLMs, the inference efficiency is an…

Computation and Language · Computer Science 2024-04-18 Yushuo Chen , Tianyi Tang , Erge Xiang , Linjiang Li , Wayne Xin Zhao , Jing Wang , Yunpeng Chai , Ji-Rong Wen

Protein mutations can have profound effects on biological function, making accurate prediction of property changes critical for drug discovery, protein engineering, and precision medicine. Current approaches rely on fine-tuning…

Machine Learning · Computer Science 2025-10-27 Srivathsan Badrinarayanan , Yue Su , Janghoon Ock , Alan Pham , Sanya Ahuja , Amir Barati Farimani

Feed-forward layers constitute two-thirds of a transformer model's parameters, yet their role in the network remains under-explored. We show that feed-forward layers in transformer-based language models operate as key-value memories, where…

Computation and Language · Computer Science 2021-09-07 Mor Geva , Roei Schuster , Jonathan Berant , Omer Levy

Aligning large language models (LLMs) through supervised fine-tuning is essential for tailoring them to specific applications. Recent studies suggest that alignment primarily adjusts a model's presentation style rather than its foundational…

Computation and Language · Computer Science 2025-04-09 Guangyuan Shi , Zexin Lu , Xiaoyu Dong , Wenlong Zhang , Xuanyu Zhang , Yujie Feng , Xiao-Ming Wu

Recent findings reveal that much of the knowledge in a Transformer-based Large Language Model (LLM) is encoded in its feed-forward (FFN) layers, where each FNN layer can be interpreted as the summation of sub-updates, each corresponding to…

Computation and Language · Computer Science 2025-07-01 Ying Shen , Lifu Huang

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

The field of protein folding research has been greatly advanced by deep learning methods, with AlphaFold2 (AF2) demonstrating exceptional performance and atomic-level precision. As co-evolution is integral to protein structure prediction,…

Quantitative Methods · Quantitative Biology 2023-06-06 Le Zhang , Jiayang Chen , Tao Shen , Yu Li , Siqi Sun

We investigate the parameter space of transformer models trained on protein sequence data using a statistical mechanics framework, sampling the loss landscape at varying temperatures by Langevin dynamics to characterize the low-loss…

Disordered Systems and Neural Networks · Physics 2026-04-01 L. Ghiringhelli , A. Zambon , G. Tiana

Interactive speech recognition systems must generate words quickly while also producing accurate results. Two-pass models excel at these requirements by employing a first-pass decoder that quickly emits words, and a second-pass decoder that…

Computation and Language · Computer Science 2021-01-28 Ke Hu , Ruoming Pang , Tara N. Sainath , Trevor Strohman

Modern LLMs are increasingly deep, and depth correlates with performance, albeit with diminishing returns. However, do these models use their depth efficiently? Do they compose more features to create higher-order computations that are…

Machine Learning · Computer Science 2025-10-29 Róbert Csordás , Christopher D. Manning , Christopher Potts

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its…

Biomolecules · Quantitative Biology 2024-02-09 Zuobai Zhang , Jiarui Lu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Recently, language models (LMs) have shown impressive proficiency in code generation tasks, especially when fine-tuned on code-specific datasets, commonly known as Code LMs. However, our understanding of the internal decision-making…

Software Engineering · Computer Science 2025-02-27 Samuel Miller , Daking Rai , Ziyu Yao

Recent advancements in Large Language Models (LLMs)-based text embedding models primarily focus on data scaling or synthesis, yet limited exploration of training techniques and data quality, thereby constraining performance. In this work,…

Structure determination is key to understanding protein function at a molecular level. Whilst significant advances have been made in predicting structure and function from amino acid sequence, researchers must still rely on expensive,…

Computer Vision and Pattern Recognition · Computer Science 2020-09-01 Alexander Hudson , Shaogang Gong