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Graph contrastive learning (CL) methods learn node representations in a self-supervised manner by maximizing the similarity between the augmented node representations obtained via a GNN-based encoder. However, CL methods perform poorly on…

Machine Learning · Computer Science 2024-06-12 Wenhan Yang , Baharan Mirzasoleiman

Accurate and reliable nuclei identification is an essential part of quantification in microscopy. A range of mathematical and machine learning approaches are used but all methods have limitations. Such limitations include sensitivity to…

Quantitative Methods · Quantitative Biology 2019-04-11 Carl J. Nelson , Philip T. G. Jackson , Boguslaw Obara

We propose a novel adaptive kernel based regression method for complex-valued signals: the generalized complex-valued kernel least-mean-square (gCKLMS). We borrow from the new results on widely linear reproducing kernel Hilbert space…

Machine Learning · Statistics 2019-10-02 Rafael Boloix-Tortosa , Juan José Murillo-Fuentes , Sotirios A. Tsaftaris

Modern drug discovery is often time-consuming, complex and cost-ineffective due to the large volume of molecular data and complicated molecular properties. Recently, machine learning algorithms have shown promising results in virtual…

Neural and Evolutionary Computing · Computer Science 2022-02-08 Dongning Ma , Rahul Thapa , Xun Jiao

Deep learning has emerged as a prominent field in recent literature, showcasing the introduction of models that utilize transfer learning to achieve remarkable accuracies in the classification of brain tumor MRI images. However, the…

Computer Vision and Pattern Recognition · Computer Science 2023-08-15 Raza Imam , Mohammed Talha Alam

Sequence classification has numerous applications in various fields. Despite extensive studies in the last decades, many challenges still exist, particularly in pattern-based methods. Existing pattern-based methods measure the…

Machine Learning · Computer Science 2023-10-23 Junjie Dong , Mudi Jiang , Lianyu Hu , Zengyou He

Contemporary graph learning algorithms are not well-defined for large molecules since they do not consider the hierarchical interactions among the atoms, which are essential to determine the molecular properties of macromolecules. In this…

Machine Learning · Computer Science 2023-08-02 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Machine Learning · Computer Science 2023-05-26 Zhenyu Yang , Ge Zhang , Jia Wu , Jian Yang , Quan Z. Sheng , Shan Xue , Chuan Zhou , Charu Aggarwal , Hao Peng , Wenbin Hu , Edwin Hancock , Pietro Liò

Causal discovery amounts to learning a directed acyclic graph (DAG) that encodes a causal model. This model selection problem can be challenging due to its large combinatorial search space, particularly when dealing with non-parametric…

Machine Learning · Statistics 2024-08-21 Yurou Liang , Oleksandr Zadorozhnyi , Mathias Drton

Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as their notable complexity, constitutes an ideal context in…

Soft Condensed Matter · Physics 2019-01-07 Marco Giulini , Raffaello Potestio

This paper describes an effective and efficient image classification framework nominated distributed deep representation learning model (DDRL). The aim is to strike the balance between the computational intensive deep learning approaches…

Computer Vision and Pattern Recognition · Computer Science 2016-07-05 Le Dong , Na Lv , Qianni Zhang , Shanshan Xie , Ling He , Mengdie Mao

Continual learning (CL) aims to develop techniques by which a single model adapts to an increasing number of tasks encountered sequentially, thereby potentially leveraging learnings across tasks in a resource-efficient manner. A major…

Machine Learning · Computer Science 2022-04-18 Rishabh Tiwari , Krishnateja Killamsetty , Rishabh Iyer , Pradeep Shenoy

The Classification of medical images and illustrations in the literature aims to label a medical image according to the modality it was produced or label an illustration according to its production attributes. It is an essential and…

Computer Vision and Pattern Recognition · Computer Science 2017-06-29 Jianpeng Zhang , Yong Xia , Qi Wu , Yutong Xie

Hyperdimensional Computing (HDC) developed by Kanerva is a computational model for machine learning inspired by neuroscience. HDC exploits characteristics of biological neural systems such as high-dimensionality, randomness and a…

Machine Learning · Computer Science 2022-05-17 Igor Nunes , Mike Heddes , Tony Givargis , Alexandru Nicolau , Alex Veidenbaum

Estimating the primary quantization matrix of double JPEG compressed images is a problem of relevant importance in image forensics since it allows to infer important information about the past history of an image. In addition, the…

Computer Vision and Pattern Recognition · Computer Science 2021-03-19 Benedetta Tondi , Andrea Costranzo , Dequ Huang , Bin Li

We consider the problem of learning discriminative representations for data in a high-dimensional space with distribution supported on or around multiple low-dimensional linear subspaces. That is, we wish to compute a linear injective map…

Machine Learning · Statistics 2022-10-07 Druv Pai , Michael Psenka , Chih-Yuan Chiu , Manxi Wu , Edgar Dobriban , Yi Ma

Background: Virtual Screening (VS) has become an essential tool in drug discovery, enabling the rapid and cost-effective identification of potential bioactive molecules. Among recent advancements, Graph Neural Networks (GNNs) have gained…

Quantitative Methods · Quantitative Biology 2025-10-27 Salvatore Contino , Paolo Sortino , Maria Rita Gulotta , Ugo Perricone , Roberto Pirrone

The selection of coarse-grained (CG) mapping operators is a critical step for CG molecular dynamics (MD) simulation. It is still an open question about what is optimal for this choice and there is a need for theory. The current state-of-the…

Quantitative Methods · Quantitative Biology 2022-04-05 Zhiheng Li , Geemi P. Wellawatte , Maghesree Chakraborty , Heta A. Gandhi , Chenliang Xu , Andrew D. White

Multiple instance learning (MIL) stands as a powerful approach in weakly supervised learning, regularly employed in histological whole slide image (WSI) classification for detecting tumorous lesions. However, existing mainstream MIL methods…

Image and Video Processing · Electrical Eng. & Systems 2024-07-08 Wenhui Zhu , Xiwen Chen , Peijie Qiu , Aristeidis Sotiras , Abolfazl Razi , Yalin Wang

Deep learning methods exhibit promising performance for predictive modeling in healthcare, but two important challenges remain: -Data insufficiency:Often in healthcare predictive modeling, the sample size is insufficient for deep learning…

Machine Learning · Computer Science 2017-04-04 Edward Choi , Mohammad Taha Bahadori , Le Song , Walter F. Stewart , Jimeng Sun