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Machine learning solutions are very popular in the field of chemoinformatics, where they have numerous applications, such as novel drug discovery or molecular property prediction. Molecular fingerprints are algorithms commonly used for…

Quantitative Methods · Quantitative Biology 2024-04-01 Michał Szafarczyk , Piotr Ludynia , Przemysław Kukla

scikit-multilearn is a Python library for performing multi-label classification. The library is compatible with the scikit/scipy ecosystem and uses sparse matrices for all internal operations. It provides native Python implementations of…

Machine Learning · Computer Science 2018-12-11 Piotr Szymański , Tomasz Kajdanowicz

Deep kernel learning refers to a Gaussian process that incorporates neural networks to improve the modelling of complex functions. We present a method that makes this approach feasible for problems where the data consists of line integral…

Machine Learning · Statistics 2019-09-05 Carl Jidling , Johannes Hendriks , Thomas B. Schön , Adrian Wills

Activity recognition from first-person (ego-centric) videos has recently gained attention due to the increasing ubiquity of the wearable cameras. There has been a surge of efforts adapting existing feature descriptors and designing new…

Computer Vision and Pattern Recognition · Computer Science 2017-06-06 Fatih Ozkan , Mehmet Ali Arabaci , Elif Surer , Alptekin Temizel

Multiple kernel learning (MKL) aims to find an optimal, consistent kernel function. In the hierarchical multiple kernel clustering (HMKC) algorithm, sample features are extracted layer by layer from a high-dimensional space to maximize the…

Machine Learning · Computer Science 2024-10-29 Lei Wang , Liang Du , Peng Zhou

We implement an all-optical setup demonstrating kernel-based quantum machine learning for two-dimensional classification problems. In this hybrid approach, kernel evaluations are outsourced to projective measurements on suitably designed…

Replicability in machine learning (ML) research is increasingly concerning due to the utilization of complex non-deterministic algorithms and the dependence on numerous hyper-parameter choices, such as model architecture and training…

Machine Learning · Computer Science 2024-06-18 Michael Arbel , Alexandre Zouaoui

Multiple kernel learning algorithms are proposed to combine kernels in order to obtain a better similarity measure or to integrate feature representations coming from different data sources. Most of the previous research on such methods is…

Machine Learning · Computer Science 2012-07-03 Mehmet Gonen

Multi-task learning (MTL) is a subfield of machine learning in which multiple tasks are simultaneously learned by a shared model. Such approaches offer advantages like improved data efficiency, reduced overfitting through shared…

Machine Learning · Computer Science 2020-09-22 Michael Crawshaw

In this paper, we propose a novel multi-task learning (MTL) framework, called Self-Paced Multi-Task Learning (SPMTL). Different from previous works treating all tasks and instances equally when training, SPMTL attempts to jointly learn the…

Machine Learning · Computer Science 2017-04-04 Changsheng Li , Junchi Yan , Fan Wei , Weishan Dong , Qingshan Liu , Hongyuan Zha

Imbalanced-learn is an open-source python toolbox aiming at providing a wide range of methods to cope with the problem of imbalanced dataset frequently encountered in machine learning and pattern recognition. The implemented…

Machine Learning · Computer Science 2016-09-22 Guillaume Lemaitre , Fernando Nogueira , Christos K. Aridas

The need for scalable and expressive models in machine learning is paramount, particularly in applications requiring both structural depth and flexibility. Traditional deep learning methods, such as multilayer perceptrons (MLP), offer depth…

Machine Learning · Computer Science 2024-08-01 Shrenik Zinage , Sudeepta Mondal , Soumalya Sarkar

Gaussian processes (GPs) stand as crucial tools in machine learning and signal processing, with their effectiveness hinging on kernel design and hyper-parameter optimization. This paper presents a novel GP linear multiple kernel (LMK) and a…

Machine Learning · Computer Science 2025-01-17 Richard Cornelius Suwandi , Zhidi Lin , Feng Yin , Zhiguo Wang , Sergios Theodoridis

Multiple kernel methods less consider the intrinsic manifold structure of multiple kernel data and estimate the consensus kernel matrix with quadratic number of variables, which makes it vulnerable to the noise and outliers within multiple…

Machine Learning · Computer Science 2024-10-22 Liang Du , Xin Ren , Haiying Zhang , Peng Zhou

Machine learning potentials (MLPs) developed from extensive datasets constructed from density functional theory (DFT) calculations have become increasingly appealing for many researchers. This paper presents a framework of polynomial-based…

Materials Science · Physics 2022-09-29 Atsuto Seko

Mixed Integer Linear Programs (MILPs) are highly flexible and powerful tools for modeling and solving complex real-world combinatorial optimization problems. Recently, machine learning (ML)-guided approaches have demonstrated significant…

Artificial Intelligence · Computer Science 2025-06-13 Junyang Cai , Taoan Huang , Bistra Dilkina

Kernel methods are among the most popular techniques in machine learning. From a frequentist/discriminative perspective they play a central role in regularization theory as they provide a natural choice for the hypotheses space and the…

Machine Learning · Statistics 2012-04-17 Mauricio A. Alvarez , Lorenzo Rosasco , Neil D. Lawrence

This paper presents LibMTL, an open-source Python library built on PyTorch, which provides a unified, comprehensive, reproducible, and extensible implementation framework for Multi-Task Learning (MTL). LibMTL considers different settings…

Machine Learning · Computer Science 2022-03-29 Baijiong Lin , Yu Zhang

We present a novel machine learning approach to understanding conformation dynamics of biomolecules. The approach combines kernel-based techniques that are popular in the machine learning community with transfer operator theory for…

Computational Physics · Physics 2019-01-24 Stefan Klus , Andreas Bittracher , Ingmar Schuster , Christof Schütte

MDL, Multimodal Deep Learning Library, is a deep learning framework that supports multiple models, and this document explains its philosophy and functionality. MDL runs on Linux, Mac, and Unix platforms. It depends on OpenCV.

Machine Learning · Computer Science 2016-04-13 Jian Jin
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