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Anticancer peptides (ACPs) are a group of peptides that exhibite antineoplastic properties. The utilization of ACPs in cancer prevention can present a viable substitute for conventional cancer therapeutics, as they possess a higher degree…

Machine Learning · Computer Science 2023-09-22 Onur Karakaya , Zeynep Hilal Kilimci

Peptides are recognized for their varied self-assembly behaviors, forming a wide array of structures and geometries, such as spheres, fibers, and hydrogels, each presenting a unique set of material properties. The functionalities of these…

Biomolecules · Quantitative Biology 2025-05-15 Sarah K. Yorke , Zhenze Yang , Aviad Levin , Alice Ray , Jeremy Owusu Boamah , Tuomas P. J. Knowles , Markus J. Buehler

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

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

Probabilistic programming (PP) is a programming paradigm that allows for writing statistical models like ordinary programs, performing simulations by running those programs, and analyzing and refining their statistical behavior using…

Programming Languages · Computer Science 2024-06-19 Martin Kuhn , Joscha Grüger , Christoph Matheja , Andrey Rivkin

Generating crisp, i.e., one-pixel-wide, edge maps remains one of the fundamental challenges in edge detection, affecting both traditional and learning-based methods. To obtain crisp edges, most existing approaches rely on two hand-crafted…

Computer Vision and Pattern Recognition · Computer Science 2026-02-25 Bedrettin Cetinkaya , Sinan Kalkan , Emre Akbas

Accurately modeling the protein fitness landscapes holds great importance for protein engineering. Recently, due to their capacity and representation ability, pre-trained protein language models have achieved state-of-the-art performance in…

Biomolecules · Quantitative Biology 2024-02-06 Ziyi Zhou , Liang Zhang , Yuanxi Yu , Mingchen Li , Liang Hong , Pan Tan

Medical vision language pre-training (VLP) has emerged as a frontier of research, enabling zero-shot pathological recognition by comparing the query image with the textual descriptions for each disease. Due to the complex semantics of…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Vu Minh Hieu Phan , Yutong Xie , Yuankai Qi , Lingqiao Liu , Liyang Liu , Bowen Zhang , Zhibin Liao , Qi Wu , Minh-Son To , Johan W. Verjans

Post-translational modifications (PTMs) serve as a dynamic chemical language regulating protein function, yet current proteomic methods remain blind to a vast portion of the modified proteome. Standard database search algorithms suffer from…

Quantitative Methods · Quantitative Biology 2025-12-16 Yuhan Chen , Shang Qu , Zhiqiang Gao , Yuejin Yang , Xiang Zhang , Sheng Xu , Xinjie Mao , Liujia Qian , Jiaqi Wei , Zijie Qiu , Chenyu You , Lei Bai , Ning Ding , Tiannan Guo , Bowen Zhou , Siqi Sun

Existing MAP inference algorithms for determinantal point processes (DPPs) need to calculate determinants or conduct eigenvalue decomposition generally at the scale of the full kernel, which presents a great challenge for real-world…

Machine Learning · Computer Science 2015-03-24 Jinye Zhang , Zhijian Ou

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

Detecting protein-protein interactions (PPIs) is crucial for understanding genetic mechanisms, disease pathogenesis, and drug design. However, with the fast-paced growth of biomedical literature, there is a growing need for automated and…

Computation and Language · Computer Science 2023-12-14 Hasin Rehana , Nur Bengisu Çam , Mert Basmaci , Jie Zheng , Christianah Jemiyo , Yongqun He , Arzucan Özgür , Junguk Hur

Epitope identification is vital for antibody design yet challenging due to the inherent variability in antibodies. While many deep learning methods have been developed for general protein binding site prediction tasks, whether they work for…

Machine Learning · Computer Science 2024-11-11 Chunan Liu , Lilian Denzler , Yihong Chen , Andrew Martin , Brooks Paige

In the past few years, there are several researches on Parkinson's disease (PD) recognition using single-photon emission computed tomography (SPECT) images with deep learning (DL) approach. However, the DL model's complexity usually results…

Image and Video Processing · Electrical Eng. & Systems 2021-05-05 Theerasarn Pianpanit , Sermkiat Lolak , Phattarapong Sawangjai , Thapanun Sudhawiyangkul , Theerawit Wilaiprasitporn

The rise of deep learning has marked significant progress in fields such as computer vision, natural language processing, and medical imaging, primarily through the adaptation of pre-trained models for specific tasks. Traditional…

Machine Learning · Computer Science 2024-04-25 Charith Chandra Sai Balne , Sreyoshi Bhaduri , Tamoghna Roy , Vinija Jain , Aman Chadha

Determinantal point processes (DPPs) have attracted substantial attention as an elegant probabilistic model that captures the balance between quality and diversity within sets. DPPs are conventionally parameterized by a positive…

Machine Learning · Computer Science 2020-11-16 Mike Gartrell , Victor-Emmanuel Brunel , Elvis Dohmatob , Syrine Krichene

The rapid emergence of pretrained models (PTMs) has attracted significant attention from both Deep Learning (DL) researchers and downstream application developers. However, selecting appropriate PTMs remains challenging because existing…

Software Engineering · Computer Science 2025-12-01 Pei Liu , Terry Zhuo , Jiawei Deng , Zhenchang Xing , Qinghua Lu , Xiaoning Du , Hongyu Zhan

Understanding peptide properties is often assumed to require modeling long-range molecular interactions, motivating the use of complex graph neural networks and pretrained transformers. Yet, whether such long-range dependencies are…

Biomolecules · Quantitative Biology 2026-03-11 Jakub Adamczyk , Piotr Ludynia , Wojciech Czech

Despite great advances, molecular cancer pathology is often limited to the use of a small number of biomarkers rather than the whole transcriptome, partly due to computational challenges. Here, we introduce a novel architecture of Deep…

Machine Learning · Statistics 2019-08-14 Behrooz Azarkhalili , Ali Saberi , Hamidreza Chitsaz , Ali Sharifi-Zarchi

This paper introduces diffusion protein language model (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. We first pre-train scalable DPLMs from…

Machine Learning · Computer Science 2024-10-17 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu