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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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

无序系统与神经网络 · 物理学 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…

机器学习 · 计算机科学 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…

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…

计算物理 · 物理学 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…

机器学习 · 计算机科学 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…

材料科学 · 物理学 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…

统计方法学 · 统计学 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…

机器学习 · 计算机科学 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…

材料科学 · 物理学 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…

机器学习 · 计算机科学 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,…

统计方法学 · 统计学 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…

机器学习 · 统计学 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…

概率论 · 数学 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…

数值分析 · 数学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器人学 · 计算机科学 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…

机器学习 · 计算机科学 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…

系统与控制 · 电气工程与系统科学 2021-05-13 Viet-Anh Le , Truong X. Nghiem