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Accurate prediction of protein-ligand binding affinity is critical for drug discovery. While recent deep learning approaches have demonstrated promising results, they often rely solely on structural features of proteins and ligands,…

Machine Learning · Computer Science 2026-01-23 Han Liu , Keyan Ding , Peilin Chen , Yinwei Wei , Liqiang Nie , Dapeng Wu , Shiqi Wang

Federated Learning (FL) has emerged as an effective solution for multi-institutional collaborations without sharing patient data, offering a range of methods tailored for diverse applications. However, real-world medical datasets are often…

Machine Learning · Computer Science 2025-04-16 Penghao Wang , Qian Chen , Teng Zhang , Yingwei Zhang , Wang Lu , Yiqiang Chen

A key aspect of human intelligence is the ability to infer abstract rules directly from high-dimensional sensory data, and to do so given only a limited amount of training experience. Deep neural network algorithms have proven to be a…

Artificial Intelligence · Computer Science 2021-03-11 Taylor W. Webb , Ishan Sinha , Jonathan D. Cohen

We present KBLRN, a framework for end-to-end learning of knowledge base representations from latent, relational, and numerical features. KBLRN integrates feature types with a novel combination of neural representation learning and…

Artificial Intelligence · Computer Science 2018-06-12 Alberto Garcia-Duran , Mathias Niepert

Objective: To automatically create large labeled training datasets and reduce the efforts of feature engineering for training accurate machine learning models for clinical information extraction. Materials and Methods: We propose a distant…

Information Retrieval · Computer Science 2018-04-24 Yanshan Wang , Sunghwan Sohn , Sijia Liu , Feichen Shen , Liwei Wang , Elizabeth J. Atkinson , Shreyasee Amin , Hongfang Liu

The accurate prediction of protein-RNA binding affinity remains an unsolved problem in structural biology, limiting opportunities in understanding gene regulation and designing RNA-targeting therapeutics. A central obstacle is the…

Groups with complex set intersection relations are a natural way to model a wide array of data, from the formation of social groups to the complex protein interactions which form the basis of biological life. One approach to representing…

Machine Learning · Computer Science 2025-01-15 Sepideh Maleki , Josh Vekhter , Keshav Pingali

In recent years, wireless networks are evolving complex, which upsurges the use of zero-touch artificial intelligence (AI)-driven network automation within the telecommunication industry. In particular, network slicing, the most promising…

Networking and Internet Architecture · Computer Science 2024-02-21 Swastika Roy , Farhad Rezazadeh , Hatim Chergui , Christos Verikoukis

Online medical service provides patients convenient access to doctors, but effectively ranking doctors based on specific medical needs remains challenging. Current ranking approaches typically lack the interpretability crucial for patient…

Information Retrieval · Computer Science 2025-11-25 Ziyang Zeng , Dongyuan Li , Yuqing Yang

Graph node classification with few labeled nodes presents significant challenges due to limited supervision. Conventional methods often exploit the graph in a transductive learning manner. They fail to effectively utilize the abundant…

Machine Learning · Computer Science 2024-07-03 Shuaike Xu , Xiaolin Zhang , Peng Zhang , Kun Zhan

Clustering is essential in data analysis and machine learning, but traditional algorithms like $k$-means and Gaussian Mixture Models (GMM) often fail with nonconvex clusters. To address the challenge, we introduce the Flexible Bivariate…

Machine Learning · Computer Science 2025-02-28 Yung-Peng Hsu , Hung-Hsuan Chen

Diagnostic or procedural coding of clinical notes aims to derive a coded summary of disease-related information about patients. Such coding is usually done manually in hospitals but could potentially be automated to improve the efficiency…

Computation and Language · Computer Science 2021-07-20 Hang Dong , Víctor Suárez-Paniagua , William Whiteley , Honghan Wu

The abundance of intestinal flora is closely related to human diseases, but diseases are not caused by a single gut microbe. Instead, they result from the complex interplay of numerous microbial entities. This intricate and implicit…

Artificial Intelligence · Computer Science 2024-08-01 Dingkun Liu , Hongjie Zhou , Yilu Qu , Huimei Zhang , Yongdong Xu

Drug repurposing has historically been an economically infeasible process for identifying novel uses for abandoned drugs. Modern machine learning has enabled the identification of complex biochemical intricacies in candidate drugs; however,…

Machine Learning · Computer Science 2025-09-16 Luke Delzer , Robert Kroleski , Ali K. AlShami , Jugal Kalita

Graph embedding learning that aims to automatically learn low-dimensional node representations, has drawn increasing attention in recent years. To date, most recent graph embedding methods are evaluated on social and information networks…

Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this…

Machine Learning · Computer Science 2024-01-10 Qizhi Pei , Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Yingce Xia , Shufang Xie , Tao Qin , Kun He , Tie-Yan Liu , Rui Yan

We describe a novel approach to explainable prediction of a continuous variable based on learning fuzzy weighted rules. Our model trains a set of weighted rules to maximise prediction accuracy and minimise an ontology-based 'semantic loss'…

Artificial Intelligence · Computer Science 2022-08-29 Martin Glauer , Robert West , Susan Michie , Janna Hastings

Interpretable brain network models for disease prediction are of great value for the advancement of neuroscience. GNNs are promising to model complicated network data, but they are prone to overfitting and suffer from poor interpretability,…

Machine Learning · Computer Science 2021-07-13 Hejie Cui , Wei Dai , Yanqiao Zhu , Xiaoxiao Li , Lifang He , Carl Yang

Many link prediction algorithms require the computation of a similarity metric on each vertex pair, which is quadratic in the number of vertices and infeasible for large networks. We develop a class of link prediction algorithms based on a…

Social and Information Networks · Computer Science 2017-04-10 Benjamin Pachev , Benjamin Webb

This paper claims that machine learning models deployed in high stakes domains such as medicine must be interpretable, shareable, reproducible and accountable. We argue that these principles should form the foundational design criteria for…

Machine Learning · Computer Science 2025-08-25 Ayyüce Begüm Bektaş , Mithat Gönen
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