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Reaction-diffusion models are widely used to study spatially-extended chemical reaction systems. In order to understand how the dynamics of a reaction-diffusion model are affected by changes in its input parameters, efficient methods for…

Quantitative Methods · Quantitative Biology 2017-03-08 Christopher Lester , Christian A. Yates , Ruth E. Baker

Extracting compact, physically interpretable representations from high-dimensional scientific data is a persistent challenge due to the complex, nonlinear structures inherent in physical systems. We propose a Gaussian Mixture Variational…

Machine Learning · Computer Science 2025-12-01 Tiffany Fan , Murray Cutforth , Marta D'Elia , Alexandre Cortiella , Alireza Doostan , Eric Darve

This thesis focuses on data that has complex spatio-temporal structure and on probabilistic graphical models that learn the structure in an interpretable and scalable manner. We target two research areas of interest: Gaussian graphical…

Machine Learning · Computer Science 2023-01-18 Yu Wang

Shapley value and its priority-aware extensions are widely used for valuation in machine learning, but existing methods require pairwise priority to be binary and acyclic, a restriction spectacularly violated in real-data examples such as…

Machine Learning · Computer Science 2026-05-15 Kiljae Lee , Ziqi Liu , Weijing Tang , Yuan Zhang

Variance-based sensitivity indices have established themselves as a reference among practitioners of sensitivity analysis of model output. It is not unusual to consider a variance-based sensitivity analysis as informative if it produces at…

Predominately in explainable artificial intelligence (XAI) research, the Shapley value (SV) is applied to determine feature attributions for any black box model. Shapley interaction indices extend the SV to define any-order feature…

Machine Learning · Computer Science 2023-10-31 Fabian Fumagalli , Maximilian Muschalik , Patrick Kolpaczki , Eyke Hüllermeier , Barbara Hammer

In this paper, we address the estimation of the sensitivity indices called "Shapley eects". These sensitivity indices enable to handle dependent input variables. The Shapley eects are generally dicult to estimate, but they are easily…

Statistics Theory · Mathematics 2020-06-04 Baptiste Broto , François Bachoc , Marine Depecker , Jean-Marc Martinez

In global sensitivity analysis, the well known Sobol' sensitivity indices aim to quantify how the variance in the output of a mathematical model can be apportioned to the different variances of its input random variables. These indices are…

Statistics Theory · Mathematics 2018-01-11 Nazih Benoumechiara , Kevin Elie-Dit-Cosaque

Explainable artificial intelligence (XAI) is essential for trustworthy machine learning (ML), particularly in high-stakes domains such as healthcare and finance. Shapley value (SV) methods provide a principled framework for feature…

Machine Learning · Statistics 2025-10-03 Wangxuan Fan , Siqi Li , Doudou Zhou , Yohei Okada , Chuan Hong , Molei Liu , Nan Liu

Gaussian process state-space models (GP-SSMs) are a very flexible family of models of nonlinear dynamical systems. They comprise a Bayesian nonparametric representation of the dynamics of the system and additional (hyper-)parameters…

Machine Learning · Statistics 2013-12-18 Roger Frigola , Fredrik Lindsten , Thomas B. Schön , Carl E. Rasmussen

A comprehensive and precise analysis of shale gas production performance is crucial for evaluating resource potential, designing field development plan, and making investment decisions. However, quantitative analysis can be challenging…

Applications · Statistics 2022-06-08 Jin Meng , Yujie Zhou , Tianrui Ye , Yitian Xiao

Variable selection or importance measurement of input variables to a machine learning model has become the focus of much research. It is no longer enough to have a good model, one also must explain its decisions. This is why there are so…

Machine Learning · Computer Science 2023-08-01 Vincent Lemaire , Fabrice Clérot , Marc Boullé

Data valuation is a growing research field that studies the influence of individual data points for machine learning (ML) models. Data Shapley, inspired by cooperative game theory and economics, is an effective method for data valuation.…

Machine Learning · Statistics 2023-11-28 Jiachen T. Wang , Ruoxi Jia

Data-based approaches are promising alternatives to the traditional analytical constitutive models for solid mechanics. Herein, we propose a Gaussian process (GP) based constitutive modeling framework, specifically focusing on planar,…

Computational Engineering, Finance, and Science · Computer Science 2022-12-13 Ankush Aggarwal , Bjørn Sand Jensen , Sanjay Pant , Chung-Hao Lee

Global sensitivity analysis is the main quantitative technique for identifying the most influential input variables in a numerical simulation model. In particular when the inputs are independent, Sobol' sensitivity indices attribute a…

Statistics Theory · Mathematics 2021-01-15 Sébastien da Veiga

The Shapley Additive Global Importance (SAGE) value is a theoretically appealing interpretability method that fairly attributes global importance to a model's features. However, its exact calculation requires the computation of the…

Machine Learning · Statistics 2023-04-07 Christoph Luther , Gunnar König , Moritz Grosse-Wentrup

Sensitivity analysis is an effective tool for systematically identifying specific perturbations in parameters that have significant effects on the behavior of a given biosystem, at the scale investigated. In this work, using a…

Quantitative Methods · Quantitative Biology 2007-12-04 Zhihui Wang , Christina M. Birch , Thomas S. Deisboeck

Federated learning paradigm to utilize datasets across multiple data providers. In FL, cross-silo data providers often hesitate to share their high-quality dataset unless their data value can be fairly assessed. Shapley value (SV) has been…

Machine Learning · Computer Science 2025-04-24 Shuyue Wei , Yongxin Tong , Zimu Zhou , Tianran He , Yi Xu

Kernel methods are widely used in machine learning and statistics for their flexibility and expressive power, yet their black-box nature limits adoption in high-stakes applications. Shapley value-based attribution methods such as SHAP, and…

Machine Learning · Computer Science 2026-05-08 Majid Mohammadi , Siu Lun Chau , Krikamol Muandet

We address the problem of parameter estimation in models of systems biology from noisy observations. The models we consider are characterized by simultaneous deterministic nonlinear differential equations whose parameters are either taken…

Machine Learning · Statistics 2017-05-01 Xin Liu , Mahesan Niranjan