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Density matrix embedding theory (DMET) provides a theoretical framework to treat finite fragments in the presence of a surrounding molecular or bulk environment, even when there is significant correlation or entanglement between the two. In…

Chemical Physics · Physics 2016-11-29 Sebastian Wouters , Carlos A. Jiménez-Hoyos , Qiming Sun , Garnet Kin-Lic Chan

Kernel function plays a crucial role in machine learning algorithms such as classifiers. In this paper, we aim to improve the classification performance and reduce the reading out burden of quantum classifiers. We devise a universally…

Quantum Physics · Physics 2025-05-08 Li Xu , Xiao-yu Zhang , Ming Li , Shu-qian Shen

Depth measures are powerful tools for defining level sets in emerging, non--standard, and complex random objects such as high-dimensional multivariate data, functional data, and random graphs. Despite their favorable theoretical properties,…

The mechanism of describing quantum states by standard probability (tomographic one) instead of wave function or density matrix is elucidated. Quantum tomography is formulated in an abstract Hilbert space framework, by means of the identity…

Quantum Physics · Physics 2008-11-26 V. I. Man'ko , G. Marmo , A. Simoni , A. Stern , E. C. G. Sudarshan , F. Ventriglia

We present a novel kernel-based machine learning algorithm for identifying the low-dimensional geometry of the effective dynamics of high-dimensional multiscale stochastic systems. Recently, the authors developed a mathematical framework…

Dynamical Systems · Mathematics 2020-02-04 Andreas Bittracher , Stefan Klus , Boumediene Hamzi , Péter Koltai , Christof Schütte

In quantum mechanics, a norm squared wave function can be interpreted as the probability density that describes the likelihood of a particle to be measured in a given position or momentum. This statistical property is at the core of the…

Machine Learning · Computer Science 2020-11-12 Ying-Tao Luo , Peng-Qi Li , Dong-Ting Li , Yu-Gui Peng , Zhi-Guo Geng , Shu-Huan Xie , Yong Li , Andrea Alu , Jie Zhu , Xue-Feng Zhu

Generative models and those with computationally intractable likelihoods are widely used to describe complex systems in the natural sciences, social sciences, and engineering. Fitting these models to data requires likelihood-free inference…

Methodology · Statistics 2025-12-04 Rui Zhang , Oksana A. Chkrebtii , Dongbin Xiu

Tensor networks have recently found applications in machine learning for both supervised learning and unsupervised learning. The most common approaches for training these models are gradient descent methods. In this work, we consider an…

Machine Learning · Computer Science 2023-06-27 Sheng-Hsuan Lin , Olivier Kuijpers , Sebastian Peterhansl , Frank Pollmann

Quantitative MRI (qMRI) offers significant advantages over weighted images by providing objective parameters related to tissue properties. Deep learning-based methods have demonstrated effectiveness in estimating quantitative maps from…

Computer Vision and Pattern Recognition · Computer Science 2024-10-15 Shishuai Wang , Hua Ma , Juan A. Hernandez-Tamames , Stefan Klein , Dirk H. J. Poot

This short study reformulates the statistical Bayesian learning problem using a quantum mechanics framework. Density operators representing ensembles of pure states of sample wave functions are used in place probability densities. We show…

Statistics Theory · Mathematics 2023-01-18 Yann Berquin

Modern single-cell flow and mass cytometry technologies measure the expression of several proteins of the individual cells within a blood or tissue sample. Each profiled biological sample is thus represented by a set of hundreds of…

Machine Learning · Computer Science 2022-06-29 Siyuan Shan , Vishal Baskaran , Haidong Yi , Jolene Ranek , Natalie Stanley , Junier Oliva

Quantization of a probability measure means representing it with a finite set of Dirac masses that approximates the input distribution well enough (in some metric space of probability measures). Various methods exists to do so, but the…

Machine Learning · Statistics 2024-02-12 Gabriel Turinici

In this article, a novel approach to learning a complex function which can be written as the system of linear equations is introduced. This learning is grounded upon the observation that solving the system of linear equations by a…

Machine Learning · Computer Science 2018-10-23 Kar-Ann Toh

We introduce a method for using deep neural networks to amortize the cost of inference in models from the family induced by universal probabilistic programming languages, establishing a framework that combines the strengths of probabilistic…

Artificial Intelligence · Computer Science 2018-09-03 Tuan Anh Le , Atilim Gunes Baydin , Frank Wood

We propose a novel probabilistic dimensionality reduction framework that can naturally integrate the generative model and the locality information of data. Based on this framework, we present a new model, which is able to learn a smooth…

Machine Learning · Statistics 2016-10-18 Li Wang

By redefining the conventional notions of layers, we present an alternative view on finitely wide, fully trainable deep neural networks as stacked linear models in feature spaces, leading to a kernel machine interpretation. Based on this…

Machine Learning · Statistics 2020-12-02 Shiyu Duan , Shujian Yu , Jose Principe

Denoising diffusion probabilistic models (DDPMs) (Ho et al. 2020) have shown impressive results on image and waveform generation in continuous state spaces. Here, we introduce Discrete Denoising Diffusion Probabilistic Models (D3PMs),…

Machine Learning · Computer Science 2023-02-23 Jacob Austin , Daniel D. Johnson , Jonathan Ho , Daniel Tarlow , Rianne van den Berg

Kernel methods are powerful for machine learning, as they can represent data in feature spaces that similarities between samples may be faithfully captured. Recently, it is realized that machine learning enhanced by quantum computing is…

Quantum Physics · Physics 2023-08-22 Long Hin Li , Dan-Bo Zhang , Z. D. Wang

Machine learning algorithms based on parametrized quantum circuits are prime candidates for near-term applications on noisy quantum computers. In this direction, various types of quantum machine learning models have been introduced and…

Efficient probability density estimation is a core challenge in statistical machine learning. Tensor-based probabilistic graph methods address interpretability and stability concerns encountered in neural network approaches. However, a…

Machine Learning · Computer Science 2023-12-14 Ruituo Wu , Jiani Liu , Ce Zhu , Anh-Huy Phan , Ivan V. Oseledets , Yipeng Liu