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Optimization of expensive computer models with the help of Gaussian process emulators in now commonplace. However, when several (competing) objectives are considered, choosing an appropriate sampling strategy remains an open question. We…

Optimization and Control · Mathematics 2013-10-03 Victor Picheny

In the field of materials science and engineering, statistical analysis and machine learning techniques have recently been used to predict multiple material properties from an experimental design. These material properties correspond to…

Methodology · Statistics 2022-07-15 Keisuke Teramoto , Kei Hirose

Many real-world systems are characterized by stochastic dynamical rules where a complex network of interactions among individual elements probabilistically determines their state. Even with full knowledge of the network structure and of the…

Physics and Society · Physics 2018-05-15 Filippo Radicchi , Claudio Castellano

Machine learning (ML) has emerged as a powerful tool for tackling complex regression and classification tasks, yet its success often hinges on the quality of training data. This study introduces an ML paradigm inspired by domain knowledge…

Machine Learning · Computer Science 2025-01-10 Mohsen Rashki

This paper addresses the challenge of model uncertainty in quantitative finance, where decisions in portfolio allocation, derivative pricing, and risk management rely on estimating stochastic models from limited data. In practice, the…

Computational Finance · Quantitative Finance 2025-06-10 Hans Buehler , Blanka Horvath , Yannick Limmer , Thorsten Schmidt

Robotic systems must be able to quickly and robustly make decisions when operating in uncertain and dynamic environments. While Reinforcement Learning (RL) can be used to compute optimal policies with little prior knowledge about the…

Robotics · Computer Science 2016-09-13 Yunpeng Pan , Xinyan Yan , Evangelos Theodorou , Byron Boots

We consider the problem of online learning of optimal control for repeatedly operated systems in the presence of parametric uncertainty. During each round of operation, environment selects system parameters according to a fixed but unknown…

Machine Learning · Computer Science 2016-09-20 Theja Tulabandhula

Even though probabilistic treatments of neural networks have a long history, they have not found widespread use in practice. Sampling approaches are often too slow already for simple networks. The size of the inputs and the depth of typical…

Computer Vision and Pattern Recognition · Computer Science 2018-05-30 Jochen Gast , Stefan Roth

In the present work, we propose a self-optimization wavelet-learning method (SO-W-LM) with high accuracy and efficiency to compute the equivalent nonlinear thermal conductivity of highly heterogeneous materials with randomly hierarchical…

Computational Physics · Physics 2023-08-14 Jiale Linghu , Hao Dong , Weifeng Gao , Yufeng Nie

In quantum mechanics, a norm squared wave function can be interpreted as the probability density that describes the likelihood of a particle to be measured in a given position or momentum. This statistical property is at the core of the…

Machine Learning · Computer Science 2020-11-12 Yingtao Luo , Xuefeng Zhu

The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations. In this work, we alleviate this issue by extending…

Materials Science · Physics 2020-07-07 Victor Venturi , Holden Parks , Zeeshan Ahmad , Venkatasubramanian Viswanathan

In this paper a class of optimization problems with uncertain linear constraints is discussed. It is assumed that the constraint coefficients are random vectors whose probability distributions are only partially known. Possibility theory is…

Optimization and Control · Mathematics 2021-11-30 Romain Guillaume , Adam Kasperski , Pawel Zielinski

Structural learning, a method to estimate the parameters for discrete energy minimization, has been proven to be effective in solving computer vision problems, especially in 3D scene parsing. As the complexity of the models increases,…

Computer Vision and Pattern Recognition · Computer Science 2017-01-13 Mengtian Li , Daniel Huber

The paper presents a topology optimization approach that designs an optimal structure, called a self-supporting structure, which is ready to be fabricated via additive manufacturing without the usage of additional support structures. Such…

Computational Engineering, Finance, and Science · Computer Science 2017-08-25 Dengyang Zhao , Ming Li , Yusheng Liu

Computational studies of chemical reactions in complex environments such as proteins, nanostructures, or on surfaces require accurate and efficient atomistic models applicable to the nanometer scale. In general, an accurate parametrization…

Chemical Physics · Physics 2020-02-18 Christoph Brunken , Markus Reiher

We consider stochastic programs conditional on some covariate information, where the only knowledge of the possible relationship between the uncertain parameters and the covariates is reduced to a finite data sample of their joint…

Optimization and Control · Mathematics 2021-11-23 Adrián Esteban-Pérez , Juan M. Morales

We consider decision-making problems that are formulated as non-convex optimization programs where uncertainty enters the constraints through an additive term, independent of the decision variables, and robustness is imposed using a finite…

Optimization and Control · Mathematics 2026-02-25 Alexander J Gallo , Massimiliano Zoggia , Alessandro Falsone , Maria Prandini , Simone Garatti

The construction industry faces increasingly more significant pressure to reduce resource consumption, minimise waste, and enhance environmental performance. Towards the transition to a circular economy in the construction industry, one of…

Numerical Analysis · Mathematics 2025-04-11 Yiping Meng , Sergio Cavalaro , Frozan Dizaye Mohamed Osmani

In structured prediction problems where we have indirect supervision of the output, maximum marginal likelihood faces two computational obstacles: non-convexity of the objective and intractability of even a single gradient computation. In…

Machine Learning · Statistics 2016-08-11 Aditi Raghunathan , Roy Frostig , John Duchi , Percy Liang

The manufacturing process of Sheet Molding Compound (SMC) influences the properties of a component in a non-deterministic fashion. To predict this influence on the mechanical performance, we develop a virtual process chain acting as a…

Computational Engineering, Finance, and Science · Computer Science 2022-11-15 Nils Meyer , Sebastian Gajek , Johannes Görthofer , Andrew Hrymak , Luise Kärger , Frank Henning , Matti Schneider , Thomas Böhlke