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The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and error, and luck. We propose a methodology that can…

Machine Learning · Statistics 2017-07-20 Julia Ling , Max Hutchinson , Erin Antono , Sean Paradiso , Bryce Meredig

As machine learning permeates more industries and models become more expensive and time consuming to train, the need for efficient automated hyperparameter optimization (HPO) has never been more pressing. Multi-step planning based…

Machine Learning · Computer Science 2022-11-18 Lucio M. Dery , Abram L. Friesen , Nando De Freitas , Marc'Aurelio Ranzato , Yutian Chen

Research on new optimization algorithms is often funded based on the motivation that such algorithms might improve the capabilities to deal with real-world and industrially relevant optimization challenges. Besides a huge variety of…

Neural and Evolutionary Computing · Computer Science 2020-07-02 Ramses Sala , Ralf Müller

In complex simulation environments, certain parameter space regions may result in non-convergent or unphysical outcomes. All parameters can therefore be labeled with a binary class describing whether or not they lead to valid results. In…

Applications · Statistics 2019-02-19 Raoul Heese , Michal Walczak , Tobias Seidel , Norbert Asprion , Michael Bortz

Quantitative assessment of the uncertainties tainting the results of computer simulations is nowadays a major topic of interest in both industrial and scientific communities. One of the key issues in such studies is to get information about…

Statistics Theory · Mathematics 2023-12-05 Guillaume Damblin , Mathieu Couplet , Bertrand Iooss

We study the novel problem of blackbox optimization of multiple objectives via multi-fidelity function evaluations that vary in the amount of resources consumed and their accuracy. The overall goal is to approximate the true Pareto set of…

Artificial Intelligence · Computer Science 2020-11-04 Syrine Belakaria , Aryan Deshwal , Janardhan Rao Doppa

Conventional multi-agent path planners typically determine a path that optimizes a single objective, such as path length. Many applications, however, may require multiple objectives, say time-to-completion and fuel use, to be simultaneously…

Robotics · Computer Science 2021-11-09 Zhongqiang Ren , Sivakumar Rathinam , Howie Choset

Machine learning applications often require hyperparameter tuning. The hyperparameters usually drive both the efficiency of the model training process and the resulting model quality. For hyperparameter tuning, machine learning algorithms…

Machine Learning · Computer Science 2018-08-06 Patrick Koch , Oleg Golovidov , Steven Gardner , Brett Wujek , Joshua Griffin , Yan Xu

Humans are expert explorers. Understanding the computational cognitive mechanisms that support this efficiency can advance the study of the human mind and enable more efficient exploration algorithms. We hypothesize that humans explore new…

Machine Learning · Computer Science 2022-03-21 Sugandha Sharma , Aidan Curtis , Marta Kryven , Josh Tenenbaum , Ila Fiete

We propose a novel hardware and software co-exploration framework for efficient neural architecture search (NAS). Different from existing hardware-aware NAS which assumes a fixed hardware design and explores the neural architecture search…

Machine Learning · Computer Science 2020-01-14 Weiwen Jiang , Lei Yang , Edwin Sha , Qingfeng Zhuge , Shouzhen Gu , Sakyasingha Dasgupta , Yiyu Shi , Jingtong Hu

Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing…

Machine Learning · Computer Science 2019-05-14 Aaron Klein , Frank Hutter

We consider the problems of exploration and point-goal navigation in previously unseen environments, where the spatial complexity of indoor scenes and partial observability constitute these tasks challenging. We argue that learning…

Creating meaningful interpretations for black-box machine learning models involves balancing two often conflicting objectives: accuracy and explainability. Exploring the trade-off between these objectives is essential for developing…

Machine Learning · Computer Science 2025-08-22 Aniruddha Joshi , Supratik Chakraborty , S Akshay , Shetal Shah , Hazem Torfah , Sanjit Seshia

Optimizing discrete black-box functions is key in several domains, e.g. protein engineering and drug design. Due to the lack of gradient information and the need for sample efficiency, Bayesian optimization is an ideal candidate for these…

We consider the problem of optimizing expensive black-box functions over discrete spaces (e.g., sets, sequences, graphs). The key challenge is to select a sequence of combinatorial structures to evaluate, in order to identify…

Machine Learning · Computer Science 2022-02-07 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa , Alan Fern

High-dimensional black-box optimisation remains an important yet notoriously challenging problem. Despite the success of Bayesian optimisation methods on continuous domains, domains that are categorical, or that mix continuous and…

Machine Learning · Statistics 2021-06-11 Xingchen Wan , Vu Nguyen , Huong Ha , Binxin Ru , Cong Lu , Michael A. Osborne

In this thesis, I explore the possibilities of conducting Bayesian optimization techniques in high dimensional domains. Although high dimensional domains can be defined to be between hundreds and thousands of dimensions, we will primarily…

Machine Learning · Computer Science 2020-10-09 David Yenicelik

This article presents a new search algorithm for the NP-hard problem of optimizing functions of binary variables that decompose according to a graphical model. It can be applied to models of any order and structure. The main novelty is a…

Data Structures and Algorithms · Computer Science 2010-09-22 Bjoern Andres , Joerg H. Kappes , Ullrich Koethe , Fred A. Hamprecht

Generating adversarial examples in a black-box setting retains a significant challenge with vast practical application prospects. In particular, existing black-box attacks suffer from the need for excessive queries, as it is non-trivial to…

Computer Vision and Pattern Recognition · Computer Science 2020-05-11 Jie Li , Rongrong Ji , Hong Liu , Jianzhuang Liu , Bineng Zhong , Cheng Deng , Qi Tian

The use of deep learning has grown at an exponential rate, giving rise to numerous specialized hardware and software systems for deep learning. Because the design space of deep learning software stacks and hardware accelerators is diverse…

Machine Learning · Computer Science 2020-10-06 Zhan Shi , Chirag Sakhuja , Milad Hashemi , Kevin Swersky , Calvin Lin