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Unsupervised learning aims to capture the underlying structure of potentially large and high-dimensional datasets. Traditionally, this involves using dimensionality reduction (DR) methods to project data onto lower-dimensional spaces or…

Machine Learning · Computer Science 2025-06-30 Hugues Van Assel , Cédric Vincent-Cuaz , Nicolas Courty , Rémi Flamary , Pascal Frossard , Titouan Vayer

Accurate force fields are necessary for predictive molecular simulations. However, developing force fields that accurately reproduce experimental properties is challenging. Here, we present a machine learning directed, multiobjective…

In this paper, we consider the problem of building learning agents that can efficiently learn to navigate in constrained environments. The main goal is to design agents that can efficiently learn to understand and generalize to different…

Machine Learning · Computer Science 2020-03-04 Kei Ota , Yoko Sasaki , Devesh K. Jha , Yusuke Yoshiyasu , Asako Kanezaki

One of the challenges of modern engineering, and robotics in particular, is designing complex systems, composed of many subsystems, rigorously and with optimality guarantees. This paper introduces a theory of co-design that describes…

Logic in Computer Science · Computer Science 2016-10-13 Andrea Censi

Performing a computer experiment can be viewed as observing a mapping between the model parameters and the corresponding model outputs predicted by the computer model. In view of this, experimental design for computer experiments can be…

Computation · Statistics 2017-12-29 Chang-Han Rhee , Enlu Zhou , Peng Qiu

Satisfying safety constraints is a priority concern when solving optimal control problems (OCPs). Due to the existence of infeasibility phenomenon, where a constraint-satisfying solution cannot be found, it is necessary to identify a…

Systems and Control · Electrical Eng. & Systems 2026-04-21 Yujie Yang , Zhilong Zheng , Masayoshi Tomizuka , Changliu Liu , Shengbo Eben Li

Bayesian optimal experimental design has immense potential to inform the collection of data so as to subsequently enhance our understanding of a variety of processes. However, a major impediment is the difficulty in evaluating optimal…

Computation · Statistics 2018-03-14 David J. Price , Nigel G. Bean , Joshua V. Ross , Jonathan Tuke

Differentiable simulation is a promising toolkit for fast gradient-based policy optimization and system identification. However, existing approaches to differentiable simulation have largely tackled scenarios where obtaining smooth…

Machine Learning · Statistics 2022-07-04 Rika Antonova , Jingyun Yang , Krishna Murthy Jatavallabhula , Jeannette Bohg

We introduce a method to construct a stochastic surrogate model from the results of dimensionality reduction in forward uncertainty quantification. The hypothesis is that the high-dimensional input augmented by the output of a computational…

Applications · Statistics 2026-02-12 Jungho Kim , Sang-ri Yi , Ziqi Wang

The increasing demands of sustainable energy, electronics, and biomedical applications call for next-generation functional materials with unprecedented properties. Of particular interest are emerging materials that display exceptional…

Active search is a setting in adaptive experimental design where we aim to uncover members of rare, valuable class(es) subject to a budget constraint. An important consideration in this problem is diversity among the discovered targets --…

Machine Learning · Computer Science 2023-02-20 Quan Nguyen , Roman Garnett

This paper proposes a reinforcement learning framework for performance-driven structural design that combines bottom-up design generation with learned strategies to efficiently search large combinatorial design spaces. Motivated by the…

Computational Engineering, Finance, and Science · Computer Science 2025-07-31 Chloe S. H. Hong , Keith J. Lee , Caitlin T. Mueller

The goals of this paper are two-fold. The first goal is to serve as an expository tutorial on the working of deep learning models which emphasizes geometrical intuition about the reasons for success of deep learning. The second goal is to…

Machine Learning · Computer Science 2021-11-23 Simant Dube

Feature matching is a crucial task in the field of computer vision, which involves finding correspondences between images. Previous studies achieve remarkable performance using learning-based feature comparison. However, the pervasive…

Computer Vision and Pattern Recognition · Computer Science 2024-06-18 Yesheng Zhang , Xu Zhao

Learning Spaces are certain set systems that are applied in the mathematical modeling of education. We propose a suitable compression (without loss of information) of such set systems to facilitate their logical and statistical analysis.…

Data Structures and Algorithms · Computer Science 2017-08-14 Marcel Wild

This paper investigates robust representation learning in offline goal-conditioned reinforcement learning (GCRL). Particularly in sparse reward scenarios, learning representations that align state and goal latents is a challenge that…

Machine Learning · Computer Science 2026-05-12 Valliappan Chidambaram Adaikkappan , David Meger , Sai Rajeswar , Pietro Mazzaglia

In this paper we consider multidimensional mechanism design problem for selling discrete substitutable items to a group of buyers. Previous work on this problem mostly focus on stochastic description of valuations used by the seller.…

Computer Science and Game Theory · Computer Science 2017-01-05 Maciej Drwal

Reinforcement Learning has emerged as a strong alternative to solve optimization tasks efficiently. The use of these algorithms highly depends on the feedback signals provided by the environment in charge of informing about how good (or…

Machine Learning · Computer Science 2022-12-01 Alain Andres , Esther Villar-Rodriguez , Javier Del Ser

Visualizing optimization landscapes has led to many fundamental insights in numeric optimization, and novel improvements to optimization techniques. However, visualizations of the objective that reinforcement learning optimizes (the "reward…

Machine Learning · Computer Science 2022-09-22 Ryan Sullivan , J. K. Terry , Benjamin Black , John P. Dickerson

In this paper, we study the minimal cost constrained input-output (I/O) and control configuration co-design problem. Given a linear time-invariant plant, where a collection of possible inputs and outputs is known a priori, we aim to…

Optimization and Control · Mathematics 2015-03-17 Sergio Pequito , Soummya Kar , George J. Pappas
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