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A novel approach is proposed to establish a sharp upper bound on the expected supremum of a separable martingale random field, serving as an alternative to classical universal chaining-based methods. The proposed approach begins by deriving…

Probability · Mathematics 2026-04-07 Yoichi Nishiyama

Spectral imaging is a method in medical x-ray imaging to extract information about the object constituents by the material-specific energy dependence of x-ray attenuation. Contrast-enhanced spectral imaging has been thoroughly investigated,…

Medical Physics · Physics 2021-01-26 Erik Fredenberg , Magnus Aslund , Bjorn Cederstrom , Mats Lundqvist , Mats Danielsson

We consider the optimization of an uncertain objective over continuous and multi-dimensional decision spaces in problems in which we are only provided with observational data. We propose a novel algorithmic framework that is tractable,…

Machine Learning · Statistics 2018-10-30 Dimitris Bertsimas , Christopher McCord

Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes…

Chemical Physics · Physics 2021-02-02 Michael J. Willatt , Félix Musil , Michele Ceriotti

In information visualization, the position of symbols often encodes associated data values. When visualizing data elements with both a numerical and a categorical dimension, positioning in the categorical axis admits some flexibility. This…

Computational Geometry · Computer Science 2025-05-22 Bernd Gärtner , Vishwas Kalani , Meghana M. Reddy , Wouter Meulemans , Bettina Speckmann , Miloš Stojaković

Ellipsoid fitting is of general interest in machine vision, such as object detection and shape approximation. Most existing approaches rely on the least-squares fitting of quadrics, minimizing the algebraic or geometric distances, with…

Computer Vision and Pattern Recognition · Computer Science 2021-10-27 Zhao Mingyang , Jia Xiaohong , Ma Lei , Qiu Xinlin , Jiang Xin , Yan Dong-Ming

We propose a method for the approximation of high- or even infinite-dimensional feature vectors, which play an important role in supervised learning. The goal is to reduce the size of the training data, resulting in lower storage…

Machine Learning · Statistics 2021-04-06 Patrick Gelß , Stefan Klus , Ingmar Schuster , Christof Schütte

Large margin nearest neighbor (LMNN) is a metric learner which optimizes the performance of the popular $k$NN classifier. However, its resulting metric relies on pre-selected target neighbors. In this paper, we address the feasibility of…

Data Structures and Algorithms · Computer Science 2018-05-03 Babak Hosseini , Barbara Hammer

Variational quantum algorithms have gained attention as early applications of quantum computers for learning tasks. In the context of supervised learning, most of the works that tackle classification problems with parameterized quantum…

Quantum Physics · Physics 2026-02-10 Paul San Sebastian , Mikel Cañizo , Roman Orus

We use machine learning to classify rational two-dimensional conformal field theories. We first use the energy spectra of these minimal models to train a supervised learning algorithm. We find that the machine is able to correctly predict…

Strongly Correlated Electrons · Physics 2021-07-13 En-Jui Kuo , Alireza Seif , Rex Lundgren , Seth Whitsitt , Mohammad Hafezi

This paper considers the open challenge of identifying complete, concise, and explainable quantitative microstructure representations for disordered heterogeneous material systems. Completeness and conciseness have been achieved through…

Materials Science · Physics 2021-09-07 Sheng Cheng , Yang Jiao , Yi Ren

This paper aims to maximize optical force and torque on arbitrary micro- and nano-scale objects using numerically optimized structured illumination. By developing a numerical framework for computer-automated design of 3d vector-field…

In this work we consider data-driven optimization problems where one must maximize a function given only queries at a fixed set of points. This problem setting emerges in many domains where function evaluation is a complex and expensive…

Machine Learning · Computer Science 2021-02-17 Justin Fu , Sergey Levine

Approximating a function with a finite series, e.g., involving polynomials or trigonometric functions, is a critical tool in computing and data analysis. The construction of such approximations via now-standard approaches like least squares…

Optimization and Control · Mathematics 2021-08-30 Dihan Dai , Yekaterina Epshteyn , Akil Narayan

Graphical models trained using maximum likelihood are a common tool for probabilistic inference of marginal distributions. However, this approach suffers difficulties when either the inference process or the model is approximate. In this…

Machine Learning · Computer Science 2012-06-18 Justin Domke

We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…

Chemical Physics · Physics 2015-08-26 Matthias Rupp , Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

The lack of interpretability and transparency are preventing economists from using advanced tools like neural networks in their empirical research. In this paper, we propose a class of interpretable neural network models that can achieve…

Econometrics · Economics 2020-12-01 Yucheng Yang , Zhong Zheng , Weinan E

A lot of real-world engineering problems represent dynamicity with nests of nonlinearities due to highly complex network of exponential functions or large number of differential equations interacting together. Such search spaces are…

Neural and Evolutionary Computing · Computer Science 2020-05-07 Mojtaba Moattari , Emad Roshandel , Shima Kamyab , Zohreh Azimifar

LECTURE GIVEN AT TH2002. Given a set of Boolean variables, and some constraints between them, is it possible to find a configuration of the variables which satisfies all constraints? This problem, which is at the heart of combinatorial…

Disordered Systems and Neural Networks · Physics 2009-11-07 Marc Mezard

Since their invention in the 1980s [1], optical tweezers have found a wide range of applications, from biophotonics and mechanobiology to microscopy and optomechanics [2, 3, 4, 5]. Simulations of the motion of microscopic particles held by…