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We introduce the Kernel-Elastic Autoencoder (KAE), a self-supervised generative model based on the transformer architecture with enhanced performance for molecular design. KAE is formulated based on two novel loss functions: modified…

Machine Learning · Computer Science 2024-03-26 Haote Li , Yu Shee , Brandon Allen , Federica Maschietto , Victor Batista

Quantifying unknown quantum entanglement experimentally is a difficult task, but also becomes more and more necessary because of the fast development of quantum engineering. Machine learning provides practical solutions to this fundamental…

Quantum Physics · Physics 2023-06-21 Xiaodie Lin , Zhenyu Chen , Zhaohui Wei

We present a new framework for multi-line analysis that combines kernel principal component analysis (Kernel PCA), an unsupervised machine-learning method, and Kernel SHapley Additive exPlanations (Kernel SHAP), an explainable artificial…

Variational Quantum Circuits (VQC) lie at the forefront of quantum machine learning research. Still, the use of quantum networks for real data processing remains challenging as the number of available qubits cannot accommodate a large…

Quantum Physics · Physics 2024-09-06 G. Maragkopoulos , A. Mandilara , A. Tsili , D. Syvridis

Principal Component Analysis (PCA) is a fundamental data preprocessing tool in the world of machine learning. While PCA is often thought of as a dimensionality reduction method, the purpose of PCA is actually two-fold: dimension reduction…

Machine Learning · Computer Science 2023-01-25 Arpita Gang , Waheed U. Bajwa

Through superposition, a quantum computer is capable of representing an exponentially large set of states, according to the number of qubits available. Quantum machine learning is a subfield of quantum computing that explores the potential…

Quantum Physics · Physics 2020-07-21 Ismael C. S. Araujo , Adenilton J. da Silva

Quantum Language Models (QLMs) in which words are modelled as quantum superposition of sememes have demonstrated a high level of model transparency and good post-hoc interpretability. Nevertheless, in the current literature word sequences…

Computation and Language · Computer Science 2021-12-21 Yiwei Chen , Yu Pan , Daoyi Dong

Principal component analysis (PCA) is a most frequently used statistical tool in almost all branches of data science. However, like many other statistical tools, there is sometimes the risk of misuse or even abuse. In this paper, we…

Methodology · Statistics 2021-08-12 Xinyu Zhang , Howell Tong

Independent Component Analysis (ICA) aims to recover independent latent variables from observed mixtures thereof. Causal Representation Learning (CRL) aims instead to infer causally related (thus often statistically dependent) latent…

Recently popularized randomized methods for principal component analysis (PCA) efficiently and reliably produce nearly optimal accuracy --- even on parallel processors --- unlike the classical (deterministic) alternatives. We adapt one of…

Computation · Statistics 2011-12-23 Nathan Halko , Per-Gunnar Martinsson , Yoel Shkolnisky , Mark Tygert

Principal component analysis (PCA) is a widely used unsupervised dimensionality reduction technique in machine learning, applied across various fields such as bioinformatics, computer vision and finance. However, when the response variables…

Applications · Statistics 2025-06-25 Theodosios Papazoglou , Guosheng Yin

Principal component analysis (PCA) can be significantly limited when there is too few examples of the target data of interest. We propose a transfer learning approach to PCA (TL-PCA) where knowledge from a related source task is used in…

Machine Learning · Computer Science 2024-10-15 Sharon Hendy , Yehuda Dar

The basic idea of quantum computing is surprisingly similar to that of kernel methods in machine learning, namely to efficiently perform computations in an intractably large Hilbert space. In this paper we explore some theoretical…

Quantum Physics · Physics 2019-02-06 Maria Schuld , Nathan Killoran

A computational approach by an implementation of the Principle Component Analysis (PCA) with K-means and Gaussian Mixture (GM) clustering methods from Machine Learning (ML) algorithms to identify structural and dynamical heterogeneities of…

Statistical Mechanics · Physics 2023-09-01 Viet Nguyen , Xueyu Song

Unsupervised learning is becoming more and more important recently. As one of its key components, the autoencoder (AE) aims to learn a latent feature representation of data which is more robust and discriminative. However, most AE based…

Machine Learning · Computer Science 2019-04-02 Jingcai Guo , Song Guo

Classical machine learning often struggles with complex, high-dimensional data. Quantum machine learning offers a potential solution, promising more efficient processing. The quantum convolutional neural network (QCNN), a hybrid algorithm,…

Quantum Physics · Physics 2025-07-25 Hinako Asaoka , Kazue Kudo

Entanglement is a fundamental feature of quantum mechanics, playing a crucial role in quantum information processing. However, classifying entangled states, particularly in the mixed-state regime, remains a challenging problem, especially…

Quantum machine learning consists in taking advantage of quantum computations to generate classical data. A potential application of quantum machine learning is to harness the power of quantum computers for generating classical data, a…

The increasing success of classical generative adversarial networks (GANs) has inspired several quantum versions of GANs. Fully quantum mechanical applications of such quantum GANs have been limited to one- and two-qubit systems. In this…

Quantum Physics · Physics 2022-09-28 S. E. Rasmussen , N. T. Zinner

Canonical Correlation Analysis (CCA) is a method for feature extraction of two views by finding maximally correlated linear projections of them. Several variants of CCA have been introduced in the literature, in particular, variants based…

Machine Learning · Computer Science 2022-03-25 Tomer Friedlander , Lior Wolf