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Molecular dynamics (MD) simulations provide atomistic insights into the structure, dynamics, and function of biomolecules by generating time-resolved, high-dimensional trajectories. Analyzing such data benefits from estimating the minimal…

Biomolecules · Quantitative Biology 2026-03-02 Irene Cazzaniga , Toni Giorgino

We propose a new embedding method, named Quantile-Quantile Embedding (QQE), for distribution transformation and manifold embedding with the ability to choose the embedding distribution. QQE, which uses the concept of quantile-quantile plot…

Machine Learning · Statistics 2021-07-12 Benyamin Ghojogh , Fakhri Karray , Mark Crowley

In this paper, we target the problem of sufficient dimension reduction with symmetric positive definite matrices valued responses. We propose the intrinsic minimum average variance estimation method and the intrinsic outer product gradient…

Methodology · Statistics 2023-02-28 B. Chen , S. Dai , Z. Yu

Accurate estimation of intravoxel incoherent motion (IVIM) parameters from diffusion-weighted MRI remains challenging due to the ill-posed nature of the inverse problem and high sensitivity to noise, particularly in the perfusion…

Commercially available Noisy Intermediate-Scale Quantum (NISQ) devices now make small hybrid quantum-classical experiments practical, but many tools hide configuration or demand ad-hoc scripting. We introduce the Quantum Experiment…

Quantum Physics · Physics 2025-11-07 Vincent Gierisch , Wolfgang Mauerer

Quantum Diffusion Models (QDMs) are an emerging paradigm in Generative AI that aims to use quantum properties to improve the performances of their classical counterparts. However, existing algorithms are not easily scalable due to the…

Quantum Physics · Physics 2025-05-29 Marco Parigi , Stefano Martina , Francesco Aldo Venturelli , Filippo Caruso

The manifold hypothesis, which assumes that data lies on or close to an unknown manifold of low intrinsic dimension, is a staple of modern machine learning research. However, recent work has shown that real-world data exhibits distinct…

Machine Learning · Computer Science 2023-06-16 Julius von Rohrscheidt , Bastian Rieck

Analyzing high-dimensional data with manifold learning algorithms often requires searching for the nearest neighbors of all observations. This presents a computational bottleneck in statistical manifold learning when observations of…

Machine Learning · Computer Science 2022-03-11 Fan Cheng , Anastasios Panagiotelis , Rob J Hyndman

Neural Networks have become one of the most successful universal machine learning algorithms. They play a key role in enabling machine vision and speech recognition for example. Their computational complexity is enormous and comes along…

Hardware Architecture · Computer Science 2019-11-19 Michaela Blott , Lisa Halder , Miriam Leeser , Linda Doyle

The ability to represent and compare machine learning models is crucial in order to quantify subtle model changes, evaluate generative models, and gather insights on neural network architectures. Existing techniques for comparing data…

Quantum machine learning is among the most exciting potential applications of quantum computing. However, the vulnerability of quantum information to environmental noises and the consequent high cost for realizing fault tolerance has…

Quantum state tomography (QST) faces exponential measurement requirements and noise sensitivity in multi-qubit systems, bottlenecking practical quantum technologies. We present a physics-informed neural network (PINN) framework integrating…

Quantum Physics · Physics 2025-12-17 Changchun Feng , Laifa Tao , Lin Chen

Subspace clustering has established itself as a state-of-the-art approach to clustering high-dimensional data. In particular, methods relying on the self-expressiveness property have recently proved especially successful. However, they…

Machine Learning · Computer Science 2020-12-21 Julian Busch , Evgeniy Faerman , Matthias Schubert , Thomas Seidl

This paper proposes an introspective deep metric learning (IDML) framework for uncertainty-aware comparisons of images. Conventional deep metric learning methods produce confident semantic distances between images regardless of the…

Computer Vision and Pattern Recognition · Computer Science 2023-09-06 Wenzhao Zheng , Chengkun Wang , Jie Zhou , Jiwen Lu

System identification has greatly benefited from deep learning techniques, particularly for modeling complex, nonlinear dynamical systems with partially unknown physics where traditional approaches may not be feasible. However, deep…

Machine Learning · Computer Science 2025-04-17 Marco Forgione , Ankush Chakrabarty , Dario Piga , Matteo Rufolo , Alberto Bemporad

Quantized neural networks are well known for reducing the latency, power consumption, and model size without significant harm to the performance. This makes them highly appropriate for systems with limited resources and low power capacity.…

Machine Learning · Computer Science 2024-06-11 Moshe Kimhi , Tal Rozen , Avi Mendelson , Chaim Baskin

In this paper, we dive into the reliability concerns of Integrated Gradients (IG), a prevalent feature attribution method for black-box deep learning models. We particularly address two predominant challenges associated with IG: the…

Machine Learning · Computer Science 2024-05-17 Eslam Zaher , Maciej Trzaskowski , Quan Nguyen , Fred Roosta

We consider a common measurement paradigm, where an unknown subset of an affine space is measured by unknown continuous quasi-convex functions. Given the measurement data, can one determine the dimension of this space? In this paper, we…

Algebraic Topology · Mathematics 2020-07-08 Min-Chun Wu , Vladimir Itskov

Classification is at the core of data-driven prediction and decision-making, representing a fundamental task in supervised machine learning. Recently, several quantum machine learning algorithms that use quantum kernels as a measure of…

Quantum Physics · Physics 2024-08-12 Jungyun Lee , Daniel K. Park

The quality of synthetically generated images (e.g. those produced by diffusion models) are often evaluated using information about image contents encoded by pretrained auxiliary models. For example, the Fr\'{e}chet Inception Distance (FID)…

Computer Vision and Pattern Recognition · Computer Science 2025-04-07 Ciaran Bench , Spencer A. Thomas
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