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Code transformation is a foundational capability in the software development process, where its effectiveness relies on constructing a high-quality code representation to characterize the input code semantics and guide the transformation.…

Machine Learning · Computer Science 2026-03-17 Weichen Li , Jiamin Song , Bogdan Alexandru Stoica , Arav Dhoot , Gabriel Ryan , Shengyu Fu , Kexin Pei

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

Contrastive Language-Image Pretraining (CLIP) stands out as a prominent method for image representation learning. Various neural architectures, spanning Transformer-based models like Vision Transformers (ViTs) to Convolutional Networks…

Computer Vision and Pattern Recognition · Computer Science 2023-12-25 Cristian Rodriguez-Opazo , Edison Marrese-Taylor , Ehsan Abbasnejad , Hamed Damirchi , Ignacio M. Jara , Felipe Bravo-Marquez , Anton van den Hengel

Determining the 3D structures of proteins is essential in understanding their behavior in the cellular environment. Computational methods of predicting protein structures have advanced, but assessing prediction accuracy remains a challenge.…

Biomolecules · Quantitative Biology 2024-07-29 Musa Azeem , Homayoun Valafar

While there has been significant progress in evaluating and comparing different representations for learning on protein data, the role of surface-based learning approaches remains not well-understood. In particular, there is a lack of…

Machine Learning · Computer Science 2025-10-23 Vincent Mallet , Souhaib Attaiki , Yangyang Miao , Bruno Correia , Maks Ovsjanikov

The biological function of a protein stems from its 3-dimensional structure, which is thermodynamically determined by the energetics of interatomic forces between its amino acid building blocks (the order of amino acids, known as the…

Biomolecules · Quantitative Biology 2019-05-03 Sean Mullane , Ruoyan Chen , Sri Vaishnavi Vemulapalli , Eli J. Draizen , Ke Wang , Cameron Mura , Philip E. Bourne

Predicting protein structure from the amino acid sequence has been a challenge with theoretical and practical significance in biophysics. Despite the recent progresses elicited by improved residue-residue contact prediction, contact-based…

Biomolecules · Quantitative Biology 2019-12-19 Wenze Ding , Haipeng Gong

Contrastive learning based vision-language joint pre-training has emerged as a successful representation learning strategy. In this paper, we present a prototype representation learning framework incorporating both global and local…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Pujin Cheng , Li Lin , Junyan Lyu , Yijin Huang , Wenhan Luo , Xiaoying Tang

Inspired by the recent success of sequence modeling in RL and the use of masked language model for pre-training, we propose a masked model for pre-training in RL, RePreM (Representation Pre-training with Masked Model), which trains the…

Machine Learning · Computer Science 2023-03-06 Yuanying Cai , Chuheng Zhang , Wei Shen , Xuyun Zhang , Wenjie Ruan , Longbo Huang

Spatial transcriptomics (ST) enables spatially resolved gene profiling but remains expensive and low-throughput, limiting large-cohort studies and routine clinical use. Predicting spatial gene expression from routine hematoxylin and eosin…

Computer Vision and Pattern Recognition · Computer Science 2026-04-24 Changfan Wang , Xinran Wang , Donghai Liu , Fei Su , Lulu Sun , Zhicheng Zhao , Zhu Meng

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

Biomolecules · Quantitative Biology 2023-10-20 Markus J. Buehler

Bridging the exponentially growing gap between the numbers of unlabeled and labeled protein sequences, several studies adopted semi-supervised learning for protein sequence modeling. In these studies, models were pre-trained with a…

Biomolecules · Quantitative Biology 2021-09-20 Seonwoo Min , Seunghyun Park , Siwon Kim , Hyun-Soo Choi , Byunghan Lee , Sungroh Yoon

Self-supervised protein language models have proved their effectiveness in learning the proteins representations. With the increasing computational power, current protein language models pre-trained with millions of diverse sequences can…

Biomolecules · Quantitative Biology 2022-11-02 Ningyu Zhang , Zhen Bi , Xiaozhuan Liang , Siyuan Cheng , Haosen Hong , Shumin Deng , Jiazhang Lian , Qiang Zhang , Huajun Chen

The unsupervised Pretraining method has been widely used in aiding human action recognition. However, existing methods focus on reconstructing the already present frames rather than generating frames which happen in future.In this paper, We…

Computer Vision and Pattern Recognition · Computer Science 2017-12-13 Yu Runsheng , Shi Zhenyu , Ma Qiongxiong , Qing Laiyun

Understanding the structure of a protein complex is crucial indetermining its function. However, retrieving accurate 3D structures from microscopy images is highly challenging, particularly as many imaging modalities are two-dimensional.…

Quantitative Methods · Quantitative Biology 2021-10-18 Benjamin J. Blundell , Christian Sieben , Suliana Manley , Ed Rosten , QueeLim Ch'ng , Susan Cox

Accurately measuring protein-RNA binding affinity is crucial in many biological processes and drug design. Previous computational methods for protein-RNA binding affinity prediction rely on either sequence or structure features, unable to…

Biomolecules · Quantitative Biology 2025-01-06 Rong Han , Xiaohong Liu , Tong Pan , Jing Xu , Xiaoyu Wang , Wuyang Lan , Zhenyu Li , Zixuan Wang , Jiangning Song , Guangyu Wang , Ting Chen

Geometric deep learning has recently achieved great success in non-Euclidean domains, and learning on 3D structures of large biomolecules is emerging as a distinct research area. However, its efficacy is largely constrained due to the…

Machine Learning · Computer Science 2023-10-31 Fang Wu , Lirong Wu , Dragomir Radev , Jinbo Xu , Stan Z. Li

Background: One-dimensional protein structures such as secondary structures or contact numbers are useful for three-dimensional structure prediction and helpful for intuitive understanding of the sequence-structure relationship. Accurate…

Biomolecules · Quantitative Biology 2007-07-09 Akira R. Kinjo , Ken Nishikawa

Prediction of protein structures using computational approaches has been explored for over two decades, paving a way for more focused research and development of algorithms in comparative modelling, ab intio modelling and structure…

Quantitative Methods · Quantitative Biology 2020-05-19 Surbhi Dhingra , Ramanathan Sowdhamini , Frédéric Cadet , Bernard Offmann

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively…

Quantitative Methods · Quantitative Biology 2024-09-04 Shania Mitra , Lei Huang , Manolis Kellis
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