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Generative learning generates high dimensional data based on low dimensional conditions, also called prompts. Therefore, generative learning algorithms are eligible for solving (Bayesian) inverse problems. In this article we compare a…

Machine Learning · Computer Science 2026-02-02 Patrick Krüger , Patrick Materne , Werner Krebs , Hanno Gottschalk

We are often interested in identifying the feasible subset of a decision space under multiple constraints to permit effective design exploration. If determining feasibility required computationally expensive simulations, the cost of…

Machine Learning · Computer Science 2020-06-25 Alma Rahat , Michael Wood

Advances in predictive modeling across multiple disciplines have yielded generative models capable of high veracity in predicting macroscopic functional responses of materials. Correspondingly, of interest is the inverse problem of finding…

Disordered Systems and Neural Networks · Physics 2020-08-11 Sergei V. Kalinin , Maxim Ziatdinov , Rama K. Vasudevan

Active search is a learning paradigm for actively identifying as many members of a given class as possible. A critical target scenario is high-throughput screening for scientific discovery, such as drug or materials discovery. In this…

Machine Learning · Computer Science 2018-11-27 Shali Jiang , Gustavo Malkomes , Benjamin Moseley , Roman Garnett

Inverse modelling with deep learning algorithms involves training deep architecture to predict device's parameters from its static behaviour. Inverse device modelling is suitable to reconstruct drifted physical parameters of devices…

Signal Processing · Electrical Eng. & Systems 2023-10-30 Massimo Orazio Spata , Sebastiano Battiato , Alessandro Ortis , Francesco Rundo , Michele Calabretta , Carmelo Pino , Angelo Messina

We present a way to dramatically accelerate Gaussian process models for interatomic force fields based on many-body kernels by mapping both forces and uncertainties onto functions of low-dimensional features. This allows for automated…

Computational Physics · Physics 2021-03-23 Yu Xie , Jonathan Vandermause , Lixin Sun , Andrea Cepellotti , Boris Kozinsky

Branching Time Active Inference (Champion et al., 2021b,a) is a framework proposing to look at planning as a form of Bayesian model expansion. Its root can be found in Active Inference (Friston et al., 2016; Da Costa et al., 2020; Champion…

Machine Learning · Computer Science 2021-12-15 Théophile Champion , Marek Grześ , Howard Bowman

Tailoring the functional properties of advanced organic/inorganic heterogeonous devices to their intended technological applications requires knowledge and control of the microscopic structure inside the device. Atomistic quantum mechanical…

Materials Science · Physics 2019-03-13 Milica Todorović , Michael U. Gutmann , Jukka Corander , Patrick Rinke

Classification is an important task in many fields including biomedical research and machine learning. Traditionally, a classification rule is constructed based a bunch of labeled data. Recently, due to technological innovation and…

Methodology · Statistics 2014-06-19 Jing Wang , Eunsik Park , Yuan-chin Ivan Chang

Collaborative filtering is a useful technique for exploiting the preference patterns of a group of users to predict the utility of items for the active user. In general, the performance of collaborative filtering depends on the number of…

Machine Learning · Computer Science 2012-07-19 Rong Jin , Luo Si

Analysis of molecular scale interactions and chemical structure offers an enormous opportunity to tune material properties for targeted applications. However, designing materials from molecular scale is a grand challenge owing to the…

Materials Science · Physics 2021-11-19 Praneeth S Ramesh , Tarak K Patra

Bayesian active learning is based on information theoretical approaches that focus on maximising the information that new observations provide to the model parameters. This is commonly done by maximising the Bayesian Active Learning by…

Machine Learning · Computer Science 2024-02-20 Frederik Boe Hüttel , Christoffer Riis , Filipe Rodrigues , Francisco Câmara Pereira

We undertake Bayesian learning of the high-dimensional functional relationship between a system parameter vector and an observable, that is in general tensor-valued. The ultimate aim is Bayesian inverse prediction of the system parameters,…

Methodology · Statistics 2018-04-17 Kangrui Wang , Dalia Chakrabarty

Developing machine learning enabled smart manufacturing is promising for composite structures assembly process. To improve production quality and efficiency of the assembly process, accurate predictive analysis on dimensional deviations and…

Machine Learning · Statistics 2020-11-24 Cheolhei Lee , Jianguo Wu , Wenjia Wang , Xiaowei Yue

These lecture notes highlight the mathematical and computational structure relating to the formulation of, and development of algorithms for, the Bayesian approach to inverse problems in differential equations. This approach is fundamental…

Probability · Mathematics 2015-07-03 Masoumeh Dashti , Andrew M. Stuart

Bayesian inverse problems use data to update a prior probability distribution on uncertain parameter values to a posterior distribution. Such problems arise in many structural engineering applications, but computational solution of Bayesian…

Numerical Analysis · Mathematics 2026-05-26 Jakob Scheffels , Elizabeth Qian , Iason Papaioannou , Elisabeth Ullmann

High-level shape understanding and technique evaluation on large repositories of 3D shapes often benefit from additional information known about the shapes. One example of such information is the semantic segmentation of a shape into…

Computer Vision and Pattern Recognition · Computer Science 2018-07-18 David George , Xianguha Xie , Yu-Kun Lai , Gary KL Tam

Defining sound and complete specifications for robots using formal languages is challenging, while learning formal specifications directly from demonstrations can lead to over-constrained task policies. In this paper, we propose a Bayesian…

Robotics · Computer Science 2020-12-01 Ankit Shah , Samir Wadhwania , Julie Shah

Estimating personalized treatment effects from high-dimensional observational data is essential in situations where experimental designs are infeasible, unethical, or expensive. Existing approaches rely on fitting deep models on outcomes…

Machine Learning · Computer Science 2022-02-02 Andrew Jesson , Panagiotis Tigas , Joost van Amersfoort , Andreas Kirsch , Uri Shalit , Yarin Gal

This paper proposes a receding horizon active learning and control problem for dynamical systems in which Gaussian Processes (GPs) are utilized to model the system dynamics. The active learning objective in the optimization problem is…

Systems and Control · Electrical Eng. & Systems 2021-05-13 Viet-Anh Le , Truong X. Nghiem