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Deep learning methods have predominantly been applied to large artificial neural networks. Despite their state-of-the-art performance, these large networks typically do not generalize well to datasets with limited sample sizes. In this…

Machine Learning · Statistics 2016-11-17 Eric Strobl , Shyam Visweswaran

Due to its complexity, graph learning-based multi-modal integration and classification is one of the most challenging obstacles for disease prediction. To effectively offset the negative impact between modalities in the process of…

Machine Learning · Computer Science 2025-02-14 Jin Liu , Junbin Mao , Hanhe Lin , Hulin Kuang , Shirui Pan , Xusheng Wu , Shan Xie , Fei Liu , Yi Pan

Subgraph representation learning has been effective in solving various real-world problems. However, current graph neural networks (GNNs) produce suboptimal results for subgraph-level tasks due to their inability to capture complex…

Machine Learning · Computer Science 2025-11-12 Dongkwan Kim , Alice Oh

Understanding what graph neural networks can learn, especially their ability to learn to execute algorithms, remains a central theoretical challenge. In this work, we prove exact learnability results for graph algorithms under…

Machine Learning · Computer Science 2026-02-02 Muhammad Fetrat Qharabagh , Artur Back de Luca , George Giapitzakis , Kimon Fountoulakis

While Large Language Models (LLMs) have shown exceptional generalization capabilities, their ability to process graph data, such as molecular structures, remains limited. To bridge this gap, this paper proposes Graph2Token, an efficient…

Machine Learning · Computer Science 2025-03-11 Runze Wang , Mingqi Yang , Yanming Shen

Reasoning over knowledge graphs (KGs) is a challenging task that requires a deep understanding of the complex relationships between entities and the underlying logic of their relations. Current approaches rely on learning geometries to…

Logic in Computer Science · Computer Science 2024-04-02 Nurendra Choudhary , Chandan K. Reddy

Multiple kernel learning (MKL), structured sparsity, and multi-task learning have recently received considerable attention. In this paper, we show how different MKL algorithms can be understood as applications of either regularization on…

Machine Learning · Statistics 2011-03-03 Ryota Tomioka , Taiji Suzuki

Multiple Kernel Learning(MKL) on Support Vector Machines(SVMs) has been a popular front of research in recent times due to its success in application problems like Object Categorization. This success is due to the fact that MKL has the…

Machine Learning · Computer Science 2014-01-03 Dinesh Govindaraj , Raman Sankaran , Sreedal Menon , Chiranjib Bhattacharyya

Recent progress in Graph Neural Networks (GNNs) has greatly enhanced the ability to model complex molecular structures for predicting properties. Nevertheless, molecular data encompasses more than just graph structures, including textual…

Machine Learning · Computer Science 2024-06-04 Junjie Xu , Zongyu Wu , Minhua Lin , Xiang Zhang , Suhang Wang

Multi-label classification is a challenging task in pattern recognition. Many deep learning methods have been proposed and largely enhanced classification performance. However, most of the existing sophisticated methods ignore context in…

Computer Vision and Pattern Recognition · Computer Science 2024-12-30 Mingyuan Jiu , Hailong Zhu , Hichem Sahbi

While a common assumption in graph signal analysis is the smoothness of the signals or the band-limitedness of their spectrum, in many instances the spectrum of real graph data may be concentrated at multiple regions of the spectrum,…

Machine Learning · Statistics 2025-02-20 Osman Furkan Kar , Gülce Turhan , Elif Vural

Can neural networks learn to compare graphs without feature engineering? In this paper, we show that it is possible to learn representations for graph similarity with neither domain knowledge nor supervision (i.e.\ feature engineering or…

Machine Learning · Computer Science 2019-04-23 Rami Al-Rfou , Dustin Zelle , Bryan Perozzi

Graph machine learning has gained great attention in both academia and industry recently. Most of the graph machine learning models, such as Graph Neural Networks (GNNs), are trained over massive graph data. However, in many real-world…

Machine Learning · Computer Science 2022-10-19 Xingbo Fu , Binchi Zhang , Yushun Dong , Chen Chen , Jundong Li

Kernels for structured data are commonly obtained by decomposing objects into their parts and adding up the similarities between all pairs of parts measured by a base kernel. Assignment kernels are based on an optimal bijection between the…

Machine Learning · Computer Science 2019-08-20 Nils M. Kriege

A simple yet effective architectural design of radial basis function neural networks (RBFNN) makes them amongst the most popular conventional neural networks. The current generation of radial basis function neural network is equipped with…

Machine Learning · Computer Science 2020-07-07 Syed Muhammad Atif , Shujaat Khan , Imran Naseem , Roberto Togneri , Mohammed Bennamoun

Graph Neural Networks (GNNs) are the currently most effective methods for predicting molecular properties but there remains a need for more accurate models. GNN accuracy can be improved by increasing the model complexity but this also…

Machine Learning · Computer Science 2025-10-24 Teng Jiek See , Daokun Zhang , Mario Boley , David K. Chalmers

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Graphs are complex objects that do not lend themselves easily to typical learning tasks. Recently, a range of approaches based on graph kernels or graph neural networks have been developed for graph classification and for representation…

Machine Learning · Computer Science 2022-05-19 Chen Cai , Yusu Wang

The goal of Knowledge Tracing (KT) is to estimate how well students have mastered a concept based on their historical learning of related exercises. The benefit of knowledge tracing is that students' learning plans can be better organised…

Machine Learning · Computer Science 2022-01-25 Xiangyu Song , Jianxin Li , Qi Lei , Wei Zhao , Yunliang Chen , Ajmal Mian

We study Sparse Multiple Kernel Learning (SMKL), which is the problem of selecting a sparse convex combination of prespecified kernels for support vector binary classification. Unlike prevailing l1 regularized approaches that approximate a…

Machine Learning · Statistics 2025-12-03 Dimitris Bertsimas , Caio de Prospero Iglesias , Nicholas A. G. Johnson