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Signaling proteins are an important topic in drug development due to the increased importance of finding fast, accurate and cheap methods to evaluate new molecular targets involved in specific diseases. The complexity of the protein…

Quantitative Methods · Quantitative Biology 2019-04-11 Carlos Fernandez-Lozano , Ruben F. Cuinas , Jose A. Seoane , Enrique Fernandez-Blanco , Julian Dorado , Cristian R. Munteanu

Predicting protein properties such as solvent accessibility and secondary structure from its primary amino acid sequence is an important task in bioinformatics. Recently, a few deep learning models have surpassed the traditional window…

Machine Learning · Computer Science 2016-05-11 Zeming Lin , Jack Lanchantin , Yanjun Qi

Pruning neural networks at initialization would enable us to find sparse models that retain the accuracy of the original network while consuming fewer computational resources for training and inference. However, current methods are…

We present a new table structure recognition (TSR) approach, called TSRFormer, to robustly recognizing the structures of complex tables with geometrical distortions from various table images. Unlike previous methods, we formulate table…

Computer Vision and Pattern Recognition · Computer Science 2023-07-13 Jiawei Wang , Weihong Lin , Chixiang Ma , Mingze Li , Zheng Sun , Lei Sun , Qiang Huo

Temporal information is crucial for detecting occluded instances. Existing temporal representations have progressed from BEV or PV features to more compact query features. Compared to these aforementioned features, predictions offer the…

Computer Vision and Pattern Recognition · Computer Science 2025-04-10 Nan Peng , Xun Zhou , Mingming Wang , Xiaojun Yang , Songming Chen , Guisong Chen

One of the fundamental tasks in understanding genomics is the problem of predicting Transcription Factor Binding Sites (TFBSs). With more than hundreds of Transcription Factors (TFs) as labels, genomic-sequence based TFBS prediction is a…

Machine Learning · Computer Science 2017-11-13 Jack Lanchantin , Arshdeep Sekhon , Ritambhara Singh , Yanjun Qi

In recent years, periocular recognition has been developed as a valuable biometric identification approach, especially in wild environments (for example, masked faces due to COVID-19 pandemic) where facial recognition may not be applicable.…

Computer Vision and Pattern Recognition · Computer Science 2021-11-03 Veeru Talreja , Nasser M. Nasrabadi , Matthew C. Valenti

Quantitatively predicting phenotype variables by the expression changes in a set of candidate genes is of great interest in molecular biology but it is also a challenging task for several reasons. First, the collected biological…

Applications · Statistics 2017-07-21 Emilie Devijver , Mélina Gallopin , Emeline Perthame

Autoregressive models have transformed protein engineering by enabling the generation of novel protein sequences beyond those found in nature. However, their sequential inference introduces significant latency, limiting their utility in…

Machine Learning · Computer Science 2025-09-29 Thomas Walton , Darin Tsui , Aryan Musharaf , Amirali Aghazadeh

Although machine learning has transformed protein structure prediction of folded protein ground states with remarkable accuracy, intrinsically disordered proteins and regions (IDPs/IDRs) are defined by diverse and dynamical structural…

Biomolecules · Quantitative Biology 2025-04-01 Oufan Zhang , Zi Hao Liu , Julie D Forman-Kay , Teresa Head-Gordon

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the…

Quantitative Methods · Quantitative Biology 2022-12-01 Bozhen Hu , Jun Xia , Jiangbin Zheng , Cheng Tan , Yufei Huang , Yongjie Xu , Stan Z. Li

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

Machine Learning · Computer Science 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren

We present a new table structure recognition (TSR) approach, called TSRFormer, to robustly recognizing the structures of complex tables with geometrical distortions from various table images. Unlike previous methods, we formulate table…

Computer Vision and Pattern Recognition · Computer Science 2022-08-10 Weihong Lin , Zheng Sun , Chixiang Ma , Mingze Li , Jiawei Wang , Lei Sun , Qiang Huo

Theoretically-inspired sequential density ratio estimation (SDRE) algorithms are proposed for the early classification of time series. Conventional SDRE algorithms can fail to estimate DRs precisely due to the internal overnormalization…

Machine Learning · Computer Science 2023-02-21 Akinori F. Ebihara , Taiki Miyagawa , Kazuyuki Sakurai , Hitoshi Imaoka

We present TerraBind, a foundation model for protein-ligand structure and binding affinity prediction that achieves 26-fold faster inference than state-of-the-art methods while improving affinity prediction accuracy by $\sim$20\%. Current…

Proteins are the main workhorses of biological functions in a cell, a tissue, or an organism. Identification and quantification of proteins in a given sample, e.g. a cell type under normal/disease conditions, are fundamental tasks for the…

Computational Engineering, Finance, and Science · Computer Science 2017-10-10 Ngoc Hieu Tran , Zachariah Levine , Lei Xin , Baozhen Shan , Ming Li

Predicting the binding affinity of protein protein complexes directly from sequence remains a challenging problem, particularly in the absence of reliable structural information. Here I present ProtT Affinity, a sequence only model that…

Quantitative Methods · Quantitative Biology 2025-11-21 Hongfu Lou

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

Proteins perform their functions usually by interacting with other proteins. Predicting which proteins interact is a fundamental problem. Experimental methods are slow, expensive, and have a high rate of error. Many computational methods…

Biomolecules · Quantitative Biology 2017-05-22 Yiwei Li , Lucian Ilie

One of the most powerful techniques to study protein structures is to look for recurrent fragments (also called substructures or spatial motifs), then use them as patterns to characterize the proteins under study. An emergent trend consists…

Computational Engineering, Finance, and Science · Computer Science 2018-03-02 Wajdi Dhifli , Rabie Saidi , Engelbert Mephu Nguifo