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Encoding facts as representations of entities and binary relationships between them, as learned by knowledge graph representation models, is useful for various tasks, including predicting new facts, question answering, fact checking and…

Machine Learning · Computer Science 2022-02-01 Ivana Balažević

Accurately predicting the survival rate of cancer patients is crucial for aiding clinicians in planning appropriate treatment, reducing cancer-related medical expenses, and significantly enhancing patients' quality of life. Multimodal…

Computer Vision and Pattern Recognition · Computer Science 2024-03-15 Liangrui Pan , Yijun Peng , Yan Li , Xiang Wang , Wenjuan Liu , Liwen Xu , Qingchun Liang , Shaoliang Peng

The rapid accumulation of Electronic Health Records (EHRs) has transformed healthcare by providing valuable data that enhance clinical predictions and diagnoses. While conventional machine learning models have proven effective, they often…

Cancer survival prediction using multi-modal medical imaging presents a critical challenge in oncology, mainly due to the vulnerability of deep learning models to noise and protocol variations across imaging centers. Current approaches…

Image and Video Processing · Electrical Eng. & Systems 2025-05-06 Aiman Farooq , Azad Singh , Deepak Mishra , Santanu Chaudhury

Molecular deep learning models have achieved remarkable success in property prediction, but they often require large amounts of labeled data. The challenge is that, in real-world applications, labels are extremely scarce, as obtaining them…

Machine Learning · Computer Science 2025-07-21 Kevin Tirta Wijaya , Minghao Guo , Michael Sun , Hans-Peter Seidel , Wojciech Matusik , Vahid Babaei

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Recent advances in Language Models have enabled the protein modeling community with a powerful tool since protein sequences can be represented as text. Specifically, by taking advantage of Transformers, sequence-to-property prediction will…

Biomolecules · Quantitative Biology 2023-09-07 Chakradhar Guntuboina , Adrita Das , Parisa Mollaei , Seongwon Kim , Amir Barati Farimani

Proteins are miniature machines whose function depends on their three-dimensional (3D) structure. Determining this structure computationally remains an unsolved grand challenge. A major bottleneck involves selecting the most accurate…

Quantitative Methods · Quantitative Biology 2020-11-30 Stephan Eismann , Patricia Suriana , Bowen Jing , Raphael J. L. Townshend , Ron O. Dror

The Horse Herd Optimization Algorithm (HOA) is a new meta-heuristic algorithm based on the behaviors of horses at different ages. The HOA was introduced recently to solve complex and high-dimensional problems. This paper proposes a binary…

Machine Learning · Computer Science 2023-11-30 Niloufar Mehrabi , Sayed Pedram Haeri Boroujeni , Elnaz Pashaei

Motivation Protein fold recognition is an important problem in structural bioinformatics. Almost all traditional fold recognition methods use sequence (homology) comparison to indirectly predict the fold of a tar get protein based on the…

Machine Learning · Computer Science 2017-06-06 Jie Hou , Badri Adhikari , Jianlin Cheng

Deep neural networks often rely on spurious features to make predictions, which makes them brittle under distribution shift and on samples where the spurious correlation does not hold (e.g., minority-group examples). Recent studies have…

Computer Vision and Pattern Recognition · Computer Science 2026-04-01 Aryan Yazdan Parast , Khawar Islam , Soyoun Won , Basim Azam , Naveed Akhtar

Protein-protein interactions (PPIs) are essentials for many biological processes where two or more proteins physically bind together to achieve their functions. Modeling PPIs is useful for many biomedical applications, such as vaccine…

Biomolecules · Quantitative Biology 2021-12-10 Yang Xue , Zijing Liu , Xiaomin Fang , Fan Wang

Accurately predicting protein melting temperature changes (Delta Tm) is fundamental for assessing protein stability and guiding protein engineering. Leveraging multi-modal protein representations has shown great promise in capturing the…

Machine Learning · Computer Science 2025-03-25 Daiheng Zhang , Yan Zeng , Xinyu Hong , Jinbo Xu

Amino acid sequence portrays most intrinsic form of a protein and expresses primary structure of protein. The order of amino acids in a sequence enables a protein to acquire a particular stable conformation that is responsible for the…

Machine Learning · Computer Science 2022-08-29 Ashish Ranjan , Md Shah Fahad , David Fernandez-Baca , Akshay Deepak , Sudhakar Tripathi

Methods for extracting audio and speech features have been studied since pioneering work on spectrum analysis decades ago. Recent efforts are guided by the ambition to develop general-purpose audio representations. For example, deep neural…

Learning expressive representations for high-dimensional yet sparse features has been a longstanding problem in information retrieval. Though recent deep learning methods can partially solve the problem, they often fail to handle the…

Information Retrieval · Computer Science 2023-05-30 Kaize Ding , Albert Jiongqian Liang , Bryan Perrozi , Ting Chen , Ruoxi Wang , Lichan Hong , Ed H. Chi , Huan Liu , Derek Zhiyuan Cheng

Directed evolution plays an indispensable role in protein engineering that revises existing protein sequences to attain new or enhanced functions. Accurately predicting the effects of protein variants necessitates an in-depth understanding…

Quantitative Methods · Quantitative Biology 2023-06-09 Yang Tan , Bingxin Zhou , Yuanhong Jiang , Yu Guang Wang , Liang Hong

Human pose estimation - the process of recognizing human keypoints in a given image - is one of the most important tasks in computer vision and has a wide range of applications including movement diagnostics, surveillance, or self-driving…

Computer Vision and Pattern Recognition · Computer Science 2021-01-25 Trung Q. Tran , Giang V. Nguyen , Daeyoung Kim

Machine Learning-guided solutions for protein learning tasks have made significant headway in recent years. However, success in scientific discovery tasks is limited by the accessibility of well-defined and labeled in-domain data. To tackle…

Machine Learning · Computer Science 2023-01-06 Ria Vinod , Pin-Yu Chen , Payel Das

We propose a novel approach for predicting protein-peptide interactions using a bi-modal transformer architecture that learns an inter-facial joint distribution of residual contacts. The current data sets for crystallized protein-peptide…

Biomolecules · Quantitative Biology 2023-06-02 Justin Diamond , Markus Lill
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