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Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Code embeddings capture the semantic representations of code and are crucial for various code-related large language model (LLM) applications, such as code search. Previous training primarily relies on optimizing the InfoNCE loss by…

Computation and Language · Computer Science 2025-07-18 Zuchen Gao , Zizheng Zhan , Xianming Li , Erxin Yu , Ziqi Zhan , Haotian Zhang , Bin Chen , Yuqun Zhang , Jing Li

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

We are now witnessing significant progress of deep learning methods in a variety of tasks (or datasets) of proteins. However, there is a lack of a standard benchmark to evaluate the performance of different methods, which hinders the…

Machine Learning · Computer Science 2022-09-20 Minghao Xu , Zuobai Zhang , Jiarui Lu , Zhaocheng Zhu , Yangtian Zhang , Chang Ma , Runcheng Liu , Jian Tang

Numerous computer vision applications rely on local feature descriptors, such as SIFT, SURF or FREAK, for image matching. Although their local character makes image matching processes more robust to occlusions, it often leads to…

Computer Vision and Pattern Recognition · Computer Science 2018-10-01 Tomasz Trzcinski , Jacek Komorowski , Lukasz Dabala , Konrad Czarnota , Grzegorz Kurzejamski , Simon Lynen

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

Sequences of nucleotides (for DNA and RNA) or amino acids (for proteins) are central objects in biology. Among the most important computational problems is that of sequence alignment, i.e. arranging sequences from different organisms in…

Quantitative Methods · Quantitative Biology 2020-12-08 Anna Paola Muntoni , Andrea Pagnani , Martin Weigt , Francesco Zamponi

The structure of a protein is crucial in determining its functionality, and is much more conserved than sequence during evolution. A key task in structural biology is to compare protein structures in order to determine evolutionary…

Methodology · Statistics 2019-11-06 Christopher Fallaize , Peter Green , Kanti Mardia , Stuart Barber

Designing proteins with desired functions or properties represents a core goal in synthetic biology and drug discovery. Recent advances in protein language models (PLMs) have enabled the generation of highly designable protein sequences,…

Machine Learning · Computer Science 2026-05-12 Yulin Zhang , He Cao , Zihao Jiang , Chenyi Zi , Zhipeng Zhou , Zijing Liu , Yu Li , Jia Li , Ziqi Gao

Proteins are the major building blocks of life, and actuators of almost all chemical and biophysical events in living organisms. Their native structures in turn enable their biological functions which have a fundamental role in drug design.…

Deep learning has become a crucial tool in studying proteins. While the significance of modeling protein structure has been discussed extensively in the literature, amino acid types are typically included in the input as a default operation…

Quantitative Methods · Quantitative Biology 2024-07-01 Yang Tan , Lirong Zheng , Bozitao Zhong , Liang Hong , Bingxin Zhou

Deep learning models have significantly advanced acoustic bird monitoring by being able to recognize numerous bird species based on their vocalizations. However, traditional deep learning models are black boxes that provide no insight into…

Machine Learning · Computer Science 2024-11-14 René Heinrich , Lukas Rauch , Bernhard Sick , Christoph Scholz

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

Predicting protein-protein interactions (PPIs) by learning informative representations from amino acid sequences is a challenging yet important problem in biology. Although various deep learning models in Siamese architecture have been…

Machine Learning · Computer Science 2020-10-19 Kishan KC , Feng Cui , Anne Haake , Rui Li

The goal of image ordinal estimation is to estimate the ordinal label of a given image with a convolutional neural network. Existing methods are mainly based on ordinal regression and particularly focus on modeling the ordinal mapping from…

Computer Vision and Pattern Recognition · Computer Science 2023-01-18 Yiming Lei , Zilong Li , Yangyang Li , Junping Zhang , Hongming Shan

Accurate protein function prediction requires integrating heterogeneous intrinsic signals (e.g., sequence and structure) with noisy extrinsic contexts (e.g., protein-protein interactions and GO term annotations). However, two key challenges…

Machine Learning · Computer Science 2025-10-28 Runjie Zheng , Zhen Wang , Anjie Qiao , Jiancong Xie , Jiahua Rao , Yuedong Yang

This paper describes Difference-aware Deep continuous prompt for Contrastive Sentence Embeddings (D2CSE) that learns sentence embeddings. Compared to state-of-the-art approaches, D2CSE computes sentence vectors that are exceptional to…

Computation and Language · Computer Science 2023-04-19 Hyunjae Lee

Learning neural program embeddings is key to utilizing deep neural networks in program languages research --- precise and efficient program representations enable the application of deep models to a wide range of program analysis tasks.…

Software Engineering · Computer Science 2019-07-12 Ke Wang , Zhendong Su

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

DNA-binding proteins (DBPs) are integral to gene regulation and cellular processes, making their accurate identification essential for understanding biological functions and disease mechanisms. Experimental methods for DBP identification…

Machine Learning · Computer Science 2025-07-29 Samiul Based Shuvo , Tasnia Binte Mamun , U Rajendra Acharya