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Stochastic simulation models effectively capture complex system dynamics but are often too slow for real-time decision-making. Traditional metamodeling techniques learn relationships between simulator inputs and a single output summary…

Machine Learning · Computer Science 2026-01-21 L. Jeff Hong , Yanxi Hou , Qingkai Zhang , Xiaowei Zhang

Large Language Models (LLMs) have shown remarkable ability in solving complex tasks, making them a promising tool for enhancing tabular learning. However, existing LLM-based methods suffer from high resource requirements, suboptimal…

Machine Learning · Computer Science 2025-05-12 Ruxue Shi , Hengrui Gu , Xu Shen , Xin Wang

Learning a Gaussian Mixture Model (GMM) is hard when the number of parameters is too large given the amount of available data. As a remedy, we propose restricting the GMM to a Gaussian Markov Random Field Mixture Model (GMRF-MM), as well as…

Machine Learning · Computer Science 2022-01-25 Shahaf E. Finder , Eran Treister , Oren Freifeld

Functionally graded materials (FGMs) are two-phase composites with continuously changing microstructure adapted to performance requirements. Traditionally, the overall behavior of FGMs has been determined using local averaging techniques or…

Materials Science · Physics 2011-08-31 Zahra Sharif-Khodaei , Jan Zeman

Mixture models with Gamma and or inverse-Gamma distributed mixture components are useful for medical image tissue segmentation or as post-hoc models for regression coefficients obtained from linear regression within a Generalised Linear…

Machine Learning · Statistics 2016-07-27 A. Llera , D. Vidaurre , R. H. R. Pruim , C. F. Beckmann

Spatial generalized linear mixed models (SGLMMs) are popular and flexible models for non-Gaussian spatial data. They are useful for spatial interpolations as well as for fitting regression models that account for spatial dependence, and are…

Methodology · Statistics 2021-10-26 Yawen Guan , Murali Haran

Stochastic diffusion is the noisy and uncertain process through which dynamics like epidemics, or agents like animal species, disperse over a larger area. Understanding these processes is becoming increasingly important as we attempt to…

Renewable energy projects, such as large offshore wind farms, are critical to achieving low-emission targets set by governments. Stochastic computer models allow us to explore future scenarios to aid decision making whilst considering the…

Methodology · Statistics 2021-12-07 Jack C. Kennedy , Daniel A. Henderson , Kevin J. Wilson

Machine learning techniques typically rely on large datasets to create accurate classifiers. However, there are situations when data is scarce and expensive to acquire. This is the case of studies that rely on state-of-the-art computational…

Machine Learning · Computer Science 2019-10-02 Francisco Sahli Costabal , Paris Perdikaris , Ellen Kuhl , Daniel E. Hurtado

The scalability of robotic learning is fundamentally bottlenecked by the significant cost and labor of real-world data collection. While simulated data offers a scalable alternative, it often fails to generalize to the real world due to…

This paper tackles the challenge of parameter calibration in stochastic models, particularly in scenarios where the likelihood function is unavailable in an analytical form. We introduce a gradient-based simulated parameter estimation…

Machine Learning · Statistics 2025-03-25 Zehao Li , Yijie Peng

We propose a hybrid deterministic and stochastic approach to achieve extended time scales in atomistic simulations that combines the strengths of molecular dynamics (MD) and Monte Carlo (MC) simulations in an easy-to-implement way. The…

Materials Science · Physics 2011-10-18 Pratyush Tiwary , Axel van de Walle

High-dimensional Bayesian inverse analysis (dim >> 100) is mostly unfeasible for computationally demanding, nonlinear physics-based high-fidelity (HF) models. Usually, the use of more efficient gradient-based inference schemes is impeded if…

Computational Engineering, Finance, and Science · Computer Science 2025-09-22 Jonas Nitzler , Bugrahan Z. Temür , Phaedon-Stelios Koutsourelakis , Wolfgang A. Wall

Gaussian process state-space models (GPSSMs) provide a principled and flexible approach to modeling the dynamics of a latent state, which is observed at discrete-time points via a likelihood model. However, inference in GPSSMs is…

Machine Learning · Computer Science 2023-07-18 Xuhui Fan , Edwin V. Bonilla , Terence J. O'Kane , Scott A. Sisson

With the fast growth of parameter size, it becomes increasingly challenging to deploy large generative models as they typically require large GPU memory consumption and massive computation. Unstructured model pruning has been a common…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-20 Haojun Xia , Zhen Zheng , Yuchao Li , Donglin Zhuang , Zhongzhu Zhou , Xiafei Qiu , Yong Li , Wei Lin , Shuaiwen Leon Song

Large language models (LLMs) have achieved remarkable results on tasks framed as reasoning problems, yet their true ability to perform procedural reasoning, executing multi-step, rule-based computations remains unclear. Unlike algorithmic…

Artificial Intelligence · Computer Science 2025-11-20 Mahdi Samiei , Mahdi Mansouri , Mahdieh Soleymani Baghshah

Temperature field prediction is of great importance in the thermal design of systems engineering, and building the surrogate model is an effective way for the task. Generally, large amounts of labeled data are required to guarantee a good…

Machine Learning · Computer Science 2023-01-18 Yunyang Zhang , Zhiqiang Gong , Weien Zhou , Xiaoyu Zhao , Xiaohu Zheng , Wen Yao

The analysis of data from multiple experiments, such as observations of several individuals, is commonly approached using mixed-effects models, which account for variation between individuals through hierarchical representations. This makes…

Computation · Statistics 2026-03-05 Henrik Häggström , Sebastian Persson , Marija Cvijovic , Umberto Picchini

Partially Observable Markov Decision Processes (POMDPs) model decision making under uncertainty. While there are many approaches to approximately solving POMDPs, we aim to address the problem of learning such models. In particular, we are…

Artificial Intelligence · Computer Science 2025-05-13 Aidan Curtis , Hao Tang , Thiago Veloso , Kevin Ellis , Joshua Tenenbaum , Tomás Lozano-Pérez , Leslie Pack Kaelbling

In this article, we consider a stochastic numerical simulator to assess the impact of some factors on a phenomenon. The simulator is seen as a black box with inputs and outputs. The quality of a simulation, hereafter referred to as…

Computation · Statistics 2017-07-27 Rémi Stroh , Séverine Demeyer , Nicolas Fischer , Julien Bect , Emmanuel Vazquez
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