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Trained transformer models have been found to implement interpretable procedures for tasks like arithmetic and associative recall, but little is understood about how the circuits that implement these procedures originate during training. To…

Machine Learning · Computer Science 2024-10-08 Ziqian Zhong , Jacob Andreas

Although neural models have achieved impressive results on several NLP benchmarks, little is understood about the mechanisms they use to perform language tasks. Thus, much recent attention has been devoted to analyzing the sentence…

Computation and Language · Computer Science 2021-03-09 Abhilasha Ravichander , Yonatan Belinkov , Eduard Hovy

With the success of large-scale pre-training in language tasks, there is an increasing trend of applying it to the domain of life sciences. In particular, pre-training methods based on DNA sequences have received increasing attention…

Artificial Intelligence · Computer Science 2024-09-10 Chaoqi Liang , Lifeng Qiao , Peng Ye , Nanqing Dong , Jianle Sun , Weiqiang Bai , Yuchen Ren , Xinzhu Ma , Hongliang Yan , Chunfeng Song , Wanli Ouyang , Wangmeng Zuo

Effective representations of protein sequences are widely recognized as a cornerstone of machine learning-based protein design. Yet, protein bioengineering poses unique challenges for sequence representation, as experimental datasets…

Quantitative Methods · Quantitative Biology 2026-04-07 Ana F. Rodrigues , Lucas Ferraz , Laura Balbi , Pedro Giesteira Cotovio , Catia Pesquita

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

Machine Learning · Computer Science 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

Recent years have seen tremendous developments in the use of machine learning models to link amino acid sequence, structure and function of folded proteins. These methods are, however, rarely applicable to the wide range of proteins and…

Biomolecules · Quantitative Biology 2025-02-27 Sören von Bülow , Giulio Tesei , Kresten Lindorff-Larsen

While cross-lingual word embeddings have been studied extensively in recent years, the qualitative differences between the different algorithms remain vague. We observe that whether or not an algorithm uses a particular feature set…

Computation and Language · Computer Science 2017-01-11 Omer Levy , Anders Søgaard , Yoav Goldberg

Multi-modality pre-training paradigm that aligns protein sequences and biological descriptions has learned general protein representations and achieved promising performance in various downstream applications. However, these works were…

Machine Learning · Computer Science 2024-12-31 Hanjing Zhou , Mingze Yin , Wei Wu , Mingyang Li , Kun Fu , Jintai Chen , Jian Wu , Zheng Wang

Many applications of machine learning methods involve an iterative protocol in which data are collected, a model is trained, and then outputs of that model are used to choose what data to consider next. For example, one data-driven approach…

Machine Learning · Computer Science 2025-04-07 Clara Fannjiang , Stephen Bates , Anastasios N. Angelopoulos , Jennifer Listgarten , Michael I. Jordan

Protein-protein bindings play a key role in a variety of fundamental biological processes, and thus predicting the effects of amino acid mutations on protein-protein binding is crucial. To tackle the scarcity of annotated mutation data,…

Quantitative Methods · Quantitative Biology 2024-05-20 Lirong Wu , Yijun Tian , Haitao Lin , Yufei Huang , Siyuan Li , Nitesh V Chawla , Stan Z. Li

Knowledge graph embeddings rank among the most successful methods for link prediction in knowledge graphs, i.e., the task of completing an incomplete collection of relational facts. A downside of these models is their strong sensitivity to…

Machine Learning · Statistics 2019-07-03 Robert Bamler , Farnood Salehi , Stephan Mandt

Proteins employ the information stored in the genetic code and translated into their sequences to carry out well-defined functions in the cellular environment. The possibility to encode for such functions is controlled by the balance…

Biomolecules · Quantitative Biology 2018-05-24 A. Possenti , M. Vendruscolo , C. Camilloni , G. Tiana

Encoding models are used for predicting brain activity in response to sensory stimuli with the objective of elucidating how sensory information is represented in the brain. Encoding models typically comprise a nonlinear transformation of…

Neurons and Cognition · Quantitative Biology 2017-03-13 Umut Güçlü , Marcel A. J. van Gerven

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

Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and…

Biomolecules · Quantitative Biology 2024-11-19 Runze Ma , Chengxin He , Huiru Zheng , Xinye Wang , Haiying Wang , Yidan Zhang , Lei Duan

DNA sequence encoding is fundamental to gene function prediction, protein synthesis, and diverse downstream biological tasks. Despite the substantial progress achieved by large-scale DNA sequence pretraining, existing studies have…

Machine Learning · Computer Science 2026-04-21 Zhijiang Tang , Jiaxin Qi , Yan Cui , Jinli Ou , Yuhua Zheng , Jianqiang Huang

Learning representations of nodes in a low dimensional space is a crucial task with many interesting applications in network analysis, including link prediction and node classification. Two popular approaches for this problem include matrix…

Social and Information Networks · Computer Science 2019-09-11 Abdulkadir Çelikkanat , Fragkiskos D. Malliaros

Real-world applications of neural language models often involve running many different models over the same corpus. The high computational cost of these runs has led to interest in techniques that can reuse the contextualized embeddings…

Computation and Language · Computer Science 2023-02-01 Jon Saad-Falcon , Amanpreet Singh , Luca Soldaini , Mike D'Arcy , Arman Cohan , Doug Downey

Protein-Protein Interactions (PPIs) perform essential roles in biological functions. Although some experimental techniques have been developed to detect PPIs, they suffer from high false positive and high false negative rates. Consequently,…

Quantitative Methods · Quantitative Biology 2017-12-29 Samaneh Aghajanbaglo , Sobhan Moosavi , Maseud Rahgozar , Amir Rahimi

Proteins play crucial roles in almost all biological processes. The advancement of deep learning has greatly accelerated the development of protein foundation models, leading to significant successes in protein understanding and design.…

Machine Learning · Computer Science 2025-10-09 Jigang Fan , Zhenghong Zhou , Ruofan Jin , Le Cong , Mengdi Wang , Zaixi Zhang
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