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Hyperparameter optimization (HPO) is a crucial step in achieving strong predictive performance. Yet, the impact of individual hyperparameters on model generalization is highly context-dependent, prohibiting a one-size-fits-all solution and…

Machine Learning · Computer Science 2025-11-11 Marcel Wever , Maximilian Muschalik , Fabian Fumagalli , Marius Lindauer

We propose an efficient tensor-train-based algorithm for simulating open quantum systems with the inchworm method, where the reduced dynamics of the open quantum system is expressed as a perturbative series of high-dimensional integrals.…

Quantum Physics · Physics 2026-04-27 Geshuo Wang , Yixiao Sun , Siyao Yang , Zhenning Cai

In biological and engineering systems, structure, function and dynamics are highly coupled. Such interactions can be naturally and compactly captured via tensor based state space dynamic representations. However, such representations are…

Optimization and Control · Mathematics 2019-12-30 Can Chen , Amit Surana , Anthony Bloch , Indika Rajapakse

Shapley values, which were originally designed to assign attributions to individual players in coalition games, have become a commonly used approach in explainable machine learning to provide attributions to input features for black-box…

Machine Learning · Computer Science 2023-03-24 Che-Ping Tsai , Chih-Kuan Yeh , Pradeep Ravikumar

With the widespread use of sophisticated machine learning models in sensitive applications, understanding their decision-making has become an essential task. Models trained on tabular data have witnessed significant progress in explanations…

Machine Learning · Computer Science 2022-06-16 Aditya Lahiri , Kamran Alipour , Ehsan Adeli , Babak Salimi

SHAP (SHapley Additive exPlanation) values are one of the leading tools for interpreting machine learning models, with strong theoretical guarantees (consistency, local accuracy) and a wide availability of implementations and use cases.…

Machine Learning · Computer Science 2022-07-28 Jilei Yang

Treating high dimensionality is one of the main challenges in the development of computational methods for solving problems arising in finance, where tasks such as pricing, calibration, and risk assessment need to be performed accurately…

Computational Finance · Quantitative Finance 2019-02-13 Kathrin Glau , Daniel Kressner , Francesco Statti

M\"obius inversion and Shapley values are two mathematical tools for characterizing and decomposing higher-order structure in complex systems. The former defines higher-order interactions as discrete derivatives over a partial order; the…

Computer Science and Game Theory · Computer Science 2026-04-23 Patrick Forré , Abel Jansma

Tensors with finite correlation afford very compact tensor network representations. A novel tensor network-based decomposition of real-time path integral simulations involving Feynman-Vernon influence functional is introduced. In this…

Chemical Physics · Physics 2023-03-23 Amartya Bose , Peter L. Walters

The combinatorial scaling of configuration interaction (CI) has long restricted its applicability to only the simplest molecular systems. Here, we report the first numerically exact CI calculation exceeding one quadrillion ($10^{15}$)…

Chemical Physics · Physics 2025-12-16 Agam Shayit , Can Liao , Shiv Upadhyay , Hang Hu , Tianyuan Zhang , Eugene DePrince , Chao Yang , Xiaosong Li

To avoid the combinatorial computational cost of configuration interaction (CI), we have previously introduced the symmetric tensor decomposition CI (STD-CI) method, where we take advantage of the antisymmetric nature of the electronic wave…

Chemical Physics · Physics 2015-06-24 Wataru Uemura , Shusuke Kasamatsu , Osamu Sugino

The Topological Signal Processing (TSP) framework has been recently developed to analyze signals defined over simplicial complexes, i.e. topological spaces represented by finite sets of elements that are closed under inclusion of subsets…

Signal Processing · Electrical Eng. & Systems 2021-12-14 Stefania Sardellitti , Sergio Barbarossa , Lucia Testa

Interpretability is central for scientific machine learning, as understanding \emph{why} models make predictions enables hypothesis generation and validation. While tabular foundation models show strong performance, existing explanation…

Machine Learning · Computer Science 2026-04-01 Luan Borges Teodoro Reis Sena , Francisco Galuppo Azevedo

We propose $\chi$-net, an intrinsically interpretable architecture combining the compositional multilinear structure of tensor networks with the expressivity and efficiency of deep neural networks. $\chi$-nets retain equal accuracy compared…

Machine Learning · Computer Science 2025-04-04 Thomas Dooms , Ward Gauderis , Geraint A. Wiggins , Jose Oramas

This paper is concerned with the approximation of tensors using tree-based tensor formats, which are tensor networks whose graphs are dimension partition trees. We consider Hilbert tensor spaces of multivariate functions defined on a…

Numerical Analysis · Mathematics 2019-09-11 Anthony Nouy

Finding interactions between variables in large and high-dimensional datasets is often a serious computational challenge. Most approaches build up interaction sets incrementally, adding variables in a greedy fashion. The drawback is that…

Machine Learning · Statistics 2016-04-27 Rajen Dinesh Shah , Nicolai Meinshausen

Trapped-ion qubits are a leading technology for practical quantum computing. In this work, we present an architectural analysis of a linear-tape architecture for trapped ions. In order to realize our study, we develop and evaluate mapping…

Persistent homology has been studied to better understand the structural properties and topology features of weighted networks. It can reveal hidden layers of information about the higher-order structures formed by non-pairwise interactions…

Combinatorics · Mathematics 2025-06-25 Udit Raj , Slobodan Maletić , Sudeepto Bhattacharya

Particles bound to an interface interact because they deform its shape. The stresses that result are fully encoded in the geometry and described by a divergence-free surface stress tensor. This stress tensor can be used to express the force…

Soft Condensed Matter · Physics 2007-05-23 Martin Michael Mueller , Markus Deserno , Jemal Guven

This study addresses the lack of structured causal modeling between tactical strike behavior and strategic delay in current strategic-level simulations, particularly the structural bottlenecks in capturing intermediate variables within the…

Machine Learning · Computer Science 2025-07-02 Wei Meng
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