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Machine learning plays an increasingly important role in computational chemistry and materials science, complementing computationally intensive ab initio and first-principles methods. Despite their utility, machine-learning models often…

化学物理 · 物理学 2025-05-06 Makoto Takamoto , Viktor Zaverkin , Mathias Niepert

Model-based Reinforcement Learning (RL) is a popular learning paradigm due to its potential sample efficiency compared to model-free RL. However, existing empirical model-based RL approaches lack the ability to explore. This work studies a…

机器学习 · 计算机科学 2021-07-16 Yuda Song , Wen Sun

This work endeavors to juxtapose the efficacy of machine learning algorithms within classical and quantum computational paradigms. Particularly, by emphasizing on Support Vector Machines (SVM), we scrutinize the classification prowess of…

机器学习 · 计算机科学 2023-10-18 Davut Emre Tasar , Kutan Koruyan , Ceren Ocal Tasar

In this paper we propose solving localized multiple kernel learning (LMKL) using LMKL-Net, a feedforward deep neural network. In contrast to previous works, as a learning principle we propose {\em parameterizing} both the gating function…

机器学习 · 统计学 2018-05-23 Ziming Zhang

Most metric learning algorithms, as well as Fisher's Discriminant Analysis (FDA), optimize some cost function of different measures of within-and between-class distances. On the other hand, Support Vector Machines(SVMs) and several Multiple…

机器学习 · 计算机科学 2013-09-17 Huyen Do , Alexandros Kalousis

Support vector machines (SVMs) are special kernel based methods and belong to the most successful learning methods since more than a decade. SVMs can informally be described as a kind of regularized M-estimators for functions and have…

机器学习 · 统计学 2010-07-26 Andreas Christmann , Robert Hable

Machine learning (ML) models, such as SVM, for tasks like classification and clustering of sequences, require a definition of distance/similarity between pairs of sequences. Several methods have been proposed to compute the similarity…

Survival analysis is a fundamental tool in medical research to identify predictors of adverse events and develop systems for clinical decision support. In order to leverage large amounts of patient data, efficient optimisation routines are…

机器学习 · 计算机科学 2016-11-23 Sebastian Pölsterl , Nassir Navab , Amin Katouzian

Memristive devices are a class of circuit elements that shows great promise as future building block for brain-inspired computing. One influential view in theoretical neuroscience sees the brain as a function-computing device: given input…

新兴技术 · 计算机科学 2022-04-13 Thomas F. Tiotto , Jelmer P. Borst , Niels A. Taatgen

In this paper we explore capabilities of spiking neural networks in solving multi-task classification problems using the approach of single-tasking of multiple tasks. We designed and implemented a multi-task spiking neural network (MT-SNN)…

神经与进化计算 · 计算机科学 2022-08-03 Paolo G. Cachi , Sebastian Ventura , Krzysztof J. Cios

In this paper, we described and developed a framework for Multilayer Perceptron (MLP) to work on low level image processing, where MLP will be used to perform image super-resolution. Meanwhile, MLP are trained with different types of images…

计算机视觉与模式识别 · 计算机科学 2012-12-24 Kah Keong Chua , Yong Haur Tay

This paper proposes a frequent pattern data mining algorithm based on support vector machine (SVM), aiming to solve the performance bottleneck of traditional frequent pattern mining algorithms in high-dimensional and sparse data…

机器学习 · 计算机科学 2024-12-23 Pochun Li

The computational complexity of solving nonlinear support vector machine (SVM) is prohibitive on large-scale data. In particular, this issue becomes very sensitive when the data represents additional difficulties such as highly imbalanced…

机器学习 · 计算机科学 2019-04-09 E. Sadrfaridpour , T. Razzaghi , I. Safro

The emergence of artificial intelligence has profoundly impacted computational chemistry, particularly through machine-learned potentials (MLPs), which offer a balance of accuracy and efficiency in calculating atomic energies and forces to…

Reinforcement learning (RL) is a fundamental framework for sequential decision-making, in which an agent learns an optimal policy through interactions with an unknown environment. In settings with function approximation, many existing RL…

机器学习 · 计算机科学 2026-05-05 Ruiquan Huang , Donghao Li , Yingbin Liang , Jing Yang

To improve the classification performance and generalization ability of the hyperspectral image classification algorithm, this paper uses Multi-Scale Total Variation (MSTV) to extract the spectral features, local binary pattern (LBP) to…

计算机视觉与模式识别 · 计算机科学 2022-04-05 Zhixin Yan , Jiawei Huang , Kehua Xiang

Spiking neural networks (SNN) provide a new computational paradigm capable of highly parallelized, real-time processing. Photonic devices are ideal for the design of high-bandwidth, parallel architectures matching the SNN computational…

神经与进化计算 · 计算机科学 2022-08-30 Luis El Srouji , Yun-Jhu Lee , Mehmet Berkay On , Li Zhang , S. J. Ben Yoo

Combining information from various image features has become a standard technique in concept recognition tasks. However, the optimal way of fusing the resulting kernel functions is usually unknown in practical applications. Multiple kernel…

计算机视觉与模式识别 · 计算机科学 2012-11-26 Alexander Binder , Shinichi Nakajima , Marius Kloft , Christina Müller , Wojciech Samek , Ulf Brefeld , Klaus-Robert Müller , Motoaki Kawanabe

Machine learning (ML) enables accurate and fast molecular property predictions, which are of interest in drug discovery and material design. Their success is based on the principle of similarity at its heart, assuming that similar molecules…

计算工程、金融与科学 · 计算机科学 2026-01-09 Fang Wu

Over the past few years, Multi-Kernel Learning (MKL) has received significant attention among data-driven feature selection techniques in the context of kernel-based learning. MKL formulations have been devised and solved for a broad…

机器学习 · 计算机科学 2014-01-22 Cong Li , Michael Georgiopoulos , Georgios C. Anagnostopoulos