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Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of…

Machine Learning · Computer Science 2022-11-28 Hatem Helal , Jesun Firoz , Jenna Bilbrey , Mario Michael Krell , Tom Murray , Ang Li , Sotiris Xantheas , Sutanay Choudhury

Biological systems are governed by structured molecular interactions, where pathways, regulatory circuits, and functional gene relationships shape cellular behavior and disease progression. Much of this knowledge is naturally represented as…

Machine Learning · Computer Science 2026-05-26 Yuwei Xue , Sakib Mostafa , James Zou , Joseph Liao , Maximilian Diehn , Ash A. Alizadeh , Lei Xing , Md. Tauhidul Islam

Graph Neural Networks (GNN) are reshaping our understanding of biomedicine and diseases by revealing the deep connections among genes and cells. As both algorithmic and biomedical technologies have advanced significantly, we're entering a…

Machine Learning · Computer Science 2023-10-17 Konstantinos Lazaros , Dimitris E. Koumadorakis , Panagiotis Vlamos , Aristidis G. Vrahatis

Gene expression (GE) data capture valuable condition-specific information ("condition" can mean a biological process, disease stage, age, patient, etc.) However, GE analyses ignore physical interactions between gene products, i.e.,…

Molecular Networks · Quantitative Biology 2020-04-16 Khalique Newaz , Tijana Milenkovic

As the global population continues to age, there is an increasing demand for ways to accurately quantify the biological processes underlying aging. Biological age, unlike chronological age, reflects an individual's physiological state,…

Quantitative Methods · Quantitative Biology 2025-08-29 Jared A Kushner , Mohit Pandey , Sandeep , S Kohli

Knowledge Graphs have been one of the fundamental methods for integrating heterogeneous data sources. Integrating heterogeneous data sources is crucial, especially in the biomedical domain, where central data-driven tasks such as drug…

Machine Learning · Computer Science 2020-12-22 Islam Akef Ebeid , Majdi Hassan , Tingyi Wanyan , Jack Roper , Abhik Seal , Ying Ding

In this paper, we consider recommender systems with side information in the form of graphs. Existing collaborative filtering algorithms mainly utilize only immediate neighborhood information and have a hard time taking advantage of deeper…

Machine Learning · Computer Science 2019-05-30 Liwei Wu , Hsiang-Fu Yu , Nikhil Rao , James Sharpnack , Cho-Jui Hsieh

The age estimation task aims to use facial features to predict the age of people and is widely used in public security, marketing, identification, and other fields. However, the features are mainly concentrated in facial keypoints, and…

Computer Vision and Pattern Recognition · Computer Science 2024-07-24 Yiping Zhang , Yuntao Shou , Tao Meng , Wei Ai , Keqin Li

We are interested in dealing with the heterogeneity of Knowledge bases (KBs), e.g., ontologies and schemas, modeled as sets of entity types (etypes), e.g., person, where each etype is associated with a set of properties, e.g., age or…

Information Theory · Computer Science 2021-09-21 Fausto Giunchiglia , Daqian Shi

The widespread availability of electronic health records (EHRs) promises to usher in the era of personalized medicine. However, the problem of extracting useful clinical representations from longitudinal EHR data remains challenging. In…

Machine Learning · Computer Science 2017-01-27 Zhengping Che , Yu Cheng , Zhaonan Sun , Yan Liu

Machine learning is a rapidly evolving field with a wide range of applications, including biological signal analysis, where novel algorithms often improve the state-of-the-art. However, robustness to algorithmic variability - measured by…

Signal Processing · Electrical Eng. & Systems 2024-02-16 Tobias Ettling , Sari Saba-Sadiya , Gemma Roig

Graph deep learning has recently emerged as a powerful ML concept allowing to generalize successful deep neural architectures to non-Euclidean structured data. Such methods have shown promising results on a broad spectrum of applications…

Machine Learning · Computer Science 2022-05-16 Anees Kazi , Luca Cosmo , Seyed-Ahmad Ahmadi , Nassir Navab , Michael Bronstein

Gene expression datasets offer insights into gene regulation mechanisms, biochemical pathways, and cellular functions. Additionally, comparing gene expression profiles between disease and control patients can deepen the understanding of…

Machine Learning · Computer Science 2025-03-27 Rita T. Sousa , Heiko Paulheim

The last decade or two has witnessed a boom of images. With the increasing ubiquity of cameras and with the advent of selfies, the number of facial images available in the world has skyrocketed. Consequently, there has been a growing…

Computer Vision and Pattern Recognition · Computer Science 2021-10-26 Vikas Sheoran , Shreyansh Joshi , Tanisha R. Bhayani

Single-cell RNA sequencing (scRNA-seq) provides unprecedented insights into cellular heterogeneity, enabling detailed analysis of complex biological systems at single-cell resolution. However, the high dimensionality and technical noise…

Genomics · Quantitative Biology 2025-09-04 Hojjat Torabi Goudarzi , Maziyar Baran Pouyan

A critical step of genome sequence analysis is the mapping of sequenced DNA fragments (i.e., reads) collected from an individual to a known linear reference genome sequence (i.e., sequence-to-sequence mapping). Recent works replace the…

Recent advancements in graph representation learning have shifted attention towards dynamic graphs, which exhibit evolving topologies and features over time. The increased use of such graphs creates a paramount need for generative models…

Machine Learning · Computer Science 2024-12-23 Ryien Hosseini , Filippo Simini , Venkatram Vishwanath , Henry Hoffmann

Understanding disease-gene associations is essential for unravelling disease mechanisms and advancing diagnostics and therapeutics. Traditional approaches based on manual curation and literature review are labour-intensive and not scalable,…

Machine Learning · Computer Science 2026-02-24 Osman Onur Kuzucu , Tunca Doğan

Background: The learning of genotype-phenotype associations and history of human disease by doing detailed and precise analysis of phenotypic abnormalities can be defined as deep phenotyping. To understand and detect this interaction…

Artificial Intelligence · Computer Science 2021-06-04 Rushabh Patel , Yanhui Guo

The significant role of epigenetic mechanisms within natural systems has become increasingly clear. This paper uses a recently presented abstract, tunable Boolean genetic regulatory network model to explore aspects of epigenetics. It is…

Neural and Evolutionary Computing · Computer Science 2013-06-21 Larry Bull