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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,…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

人工智能 · 计算机科学 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…

人工智能 · 计算机科学 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…

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…

机器学习 · 计算机科学 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…

网络与互联网体系结构 · 计算机科学 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…

信息检索 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算与语言 · 计算机科学 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…

人工智能 · 计算机科学 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,…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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'…

人工智能 · 计算机科学 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,…

机器学习 · 计算机科学 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…

社会与信息网络 · 计算机科学 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…

机器学习 · 计算机科学 2025-08-25 Ayyüce Begüm Bektaş , Mithat Gönen
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