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Deep learning has been effective for histology image analysis in digital pathology. However, many current deep learning approaches require large, strongly- or weakly-labeled images and regions of interest, which can be time-consuming and…

Computer Vision and Pattern Recognition · Computer Science 2023-04-07 Joseph DiPalma , Lorenzo Torresani , Saeed Hassanpour

Recently, multimodal deep learning, which integrates histopathology slides and molecular biomarkers, has achieved a promising performance in glioma grading. Despite great progress, due to the intra-modality complexity and inter-modality…

Computer Vision and Pattern Recognition · Computer Science 2024-08-19 Li Pan , Yupei Zhang , Qiushi Yang , Tan Li , Xiaohan Xing , Maximus C. F. Yeung , Zhen Chen

Bottom-up human pose estimation methods have difficulties in predicting the correct pose for small persons due to challenges in scale variation. In this paper, we present HigherHRNet: a novel bottom-up human pose estimation method for…

Computer Vision and Pattern Recognition · Computer Science 2020-03-13 Bowen Cheng , Bin Xiao , Jingdong Wang , Honghui Shi , Thomas S. Huang , Lei Zhang

We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a…

High Energy Physics - Phenomenology · Physics 2024-07-12 Tobias Golling , Lukas Heinrich , Michael Kagan , Samuel Klein , Matthew Leigh , Margarita Osadchy , John Andrew Raine

Proteins are complex biomolecules that play a central role in various biological processes, making them critical targets for breakthroughs in molecular biology, medical research, and drug discovery. Deciphering their intricate, hierarchical…

Machine Learning · Computer Science 2025-05-09 Viet Thanh Duy Nguyen , Truong-Son Hy

Accurate prediction of molecular properties is crucial in drug discovery. Traditional methods often overlook that real-world molecules typically exhibit multiple property labels with complex correlations. To this end, we propose a novel…

Quantitative Methods · Quantitative Biology 2024-08-13 Linjia Kang , Songhua Zhou , Shuyan Fang , Shichao Liu

The prediction of protein interactions (CPIs) is crucial for the in-silico screening step in drug discovery. Recently, many end-to-end representation learning methods using deep neural networks have achieved significantly better performance…

Quantitative Methods · Quantitative Biology 2020-11-30 Jingtao Wang , Xi Li , Hua Zhang

A suitable feature representation that can both preserve the data intrinsic information and reduce data complexity and dimensionality is key to the performance of machine learning models. Deeply rooted in algebraic topology, persistent…

Algebraic Topology · Mathematics 2018-11-02 Chi Seng Pun , Kelin Xia , Si Xian Lee

Protein language models (PLMs) learn probability distributions over natural protein sequences. By learning from hundreds of millions of natural protein sequences, protein understanding and design capabilities emerge. Recent works have shown…

Quantitative Methods · Quantitative Biology 2026-02-27 Timothy Fei Truong , Tristan Bepler

In recent years, significant progress has been made in the field of protein function prediction with the development of various machine-learning approaches. However, most existing methods formulate the task as a multi-classification…

Quantitative Methods · Quantitative Biology 2024-04-23 Hadi Abdine , Michail Chatzianastasis , Costas Bouyioukos , Michalis Vazirgiannis

Protein representation learning (PRL) is crucial for understanding structure-function relationships, yet current sequence- and graph-based methods fail to capture the hierarchical organization inherent in protein structures. We introduce…

Machine Learning · Computer Science 2025-09-05 Zhiyu Wang , Arian Jamasb , Mustafa Hajij , Alex Morehead , Luke Braithwaite , Pietro Liò

Protein representation learning plays a crucial role in understanding the structure and function of proteins, which are essential biomolecules involved in various biological processes. In recent years, deep learning has emerged as a…

Biomolecules · Quantitative Biology 2024-03-11 Bozhen Hu , Cheng Tan , Lirong Wu , Jiangbin Zheng , Jun Xia , Zhangyang Gao , Zicheng Liu , Fandi Wu , Guijun Zhang , Stan Z. Li

Recent advances in self-supervised representation learning have enabled more efficient and robust model performance without relying on extensive labeled data. However, most works are still focused on images, with few working on videos and…

Computer Vision and Pattern Recognition · Computer Science 2023-06-05 Anirudh Sriram , Adrien Gaidon , Jiajun Wu , Juan Carlos Niebles , Li Fei-Fei , Ehsan Adeli

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

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

Mixed-precision training is a crucial technique for scaling deep learning models, but successful mixedprecision training requires identifying and applying the right combination of training methods. This paper presents our preliminary study…

Machine Learning · Computer Science 2025-12-30 Bor-Yiing Su , Peter Dykas , Mike Chrzanowski , Jatin Chhugani

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

Pro-inflammatory peptides (PIPs) play critical roles in immune signaling and inflammation but are difficult to identify experimentally due to costly and time-consuming assays. To address this challenge, we present KEMP-PIP, a hybrid machine…

Quantitative Methods · Quantitative Biology 2026-02-25 Soumik Deb Niloy , Md. Fahmid-Ul-Alam Juboraj , Swakkhar Shatabda

Functional peptides have the potential to treat a variety of diseases. Their good therapeutic efficacy and low toxicity make them ideal therapeutic agents. Artificial intelligence-based computational strategies can help quickly identify new…

Quantitative Methods · Quantitative Biology 2023-09-27 Zebin Ma , Yonglin Zou , Xiaobin Huang , Wenjin Yan , Hao Xu , Jiexin Yang , Ying Zhang , Jinqi Huang

Molecular property prediction is essential for drug discovery. In recent years, deep learning methods have been introduced to this area and achieved state-of-the-art performances. However, most of existing methods ignore the intrinsic…

Biomolecules · Quantitative Biology 2022-11-04 Yuancheng Sun , Yimeng Chen , Weizhi Ma , Wenhao Huang , Kang Liu , Zhiming Ma , Wei-Ying Ma , Yanyan Lan