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Existing high-dimensional Bayesian optimization (BO) methods aim to overcome the curse of dimensionality by carefully encoding structural assumptions, from locality to sparsity to smoothness, into the optimization procedure. Surprisingly,…

Machine Learning · Computer Science 2026-04-10 Colin Doumont , Donney Fan , Natalie Maus , Jacob R. Gardner , Henry Moss , Geoff Pleiss

Deep learning has become in recent years a cornerstone tool fueling key innovations in the industry, such as autonomous driving. To attain good performances, the neural network architecture used for a given application must be chosen with…

Computer Vision and Pattern Recognition · Computer Science 2021-09-17 Anthony Cazasnoves , Pierre-Antoine Ganaye , Kévin Sanchis , Tugdual Ceillier

The traditional Neural Network-development process requires substantial expert knowledge and relies heavily on intuition and trial-and-error. Neural Architecture Search (NAS) frameworks were introduced to robustly search for network…

Neural and Evolutionary Computing · Computer Science 2023-06-16 Mohamed Shahawy , Elhadj Benkhelifa

Neural architecture search (NAS) is an attractive approach to automate the design of optimized architectures but is constrained by high computational budget, especially when optimizing for multiple, important conflicting objectives. To…

Machine Learning · Computer Science 2025-09-03 Zhao Wei , Chin Chun Ooi , Yew-Soon Ong

Neural Architecture Search (NAS) is an automated technique to design optimal neural network architectures for a specific workload. Conventionally, evaluating candidate networks in NAS involves extensive training, which requires significant…

Machine Learning · Computer Science 2025-06-05 Tomomasa Yamasaki , Zhehui Wang , Tao Luo , Niangjun Chen , Bo Wang

Neural architecture search (NAS) aims to automatically design deep neural networks of satisfactory performance. Wherein, architecture performance predictor is critical to efficiently value an intermediate neural architecture. But for the…

Computer Vision and Pattern Recognition · Computer Science 2020-10-16 Yehui Tang , Yunhe Wang , Yixing Xu , Hanting Chen , Chunjing Xu , Boxin Shi , Chao Xu , Qi Tian , Chang Xu

We propose a method to incrementally learn an embedding space over the domain of network architectures, to enable the careful selection of architectures for evaluation during compressed architecture search. Given a teacher network, we…

Computer Vision and Pattern Recognition · Computer Science 2019-04-26 Shengcao Cao , Xiaofang Wang , Kris M. Kitani

Graph-structured data are central to many scientific and industrial applications where the goal is to optimize expensive black-box objectives defined over graph structures or node configurations -- as seen in molecular design, supply…

Optimization and Control · Mathematics 2026-04-22 Yilin Xie , Shiqiang Zhang , Jixiang Qing , Ruth Misener , Calvin Tsay

The early pioneering Neural Architecture Search (NAS) works were multi-trial methods applicable to any general search space. The subsequent works took advantage of the early findings and developed weight-sharing methods that assume a…

Neural and Evolutionary Computing · Computer Science 2022-02-18 Hyunghun Cho , Jungwook Shin , Wonjong Rhee

The standard paradigm in Neural Architecture Search (NAS) is to search for a fully deterministic architecture with specific operations and connections. In this work, we instead propose to search for the optimal operation distribution, thus…

Machine Learning · Computer Science 2021-11-09 Xingchen Wan , Binxin Ru , Pedro M. Esperança , Fabio M. Carlucci

Neural architecture search (NAS) automatically finds the best task-specific neural network topology, outperforming many manual architecture designs. However, it can be prohibitively expensive as the search requires training thousands of…

Machine Learning · Computer Science 2020-12-21 Chris Zhang , Mengye Ren , Raquel Urtasun

This paper addresses the difficult problem of finding an optimal neural architecture design for a given image classification task. We propose a method that aggregates two main results of the previous state-of-the-art in neural architecture…

Computer Vision and Pattern Recognition · Computer Science 2018-08-02 Juan-Manuel Perez-Rua , Moez Baccouche , Stephane Pateux

Neural architecture search (NAS) automates the design of deep neural networks. One of the main challenges in searching complex and non-continuous architectures is to compare the similarity of networks that the conventional Euclidean metric…

Machine Learning · Computer Science 2021-06-11 Vu Nguyen , Tam Le , Makoto Yamada , Michael A Osborne

We consider the problem of optimizing combinatorial spaces (e.g., sequences, trees, and graphs) using expensive black-box function evaluations. For example, optimizing molecules for drug design using physical lab experiments. Bayesian…

Machine Learning · Computer Science 2022-02-07 Aryan Deshwal , Janardhan Rao Doppa

Neural Architecture Search (NAS) aims to automatically excavate the optimal network architecture with superior test performance. Recent neural architecture search (NAS) approaches rely on validation loss or accuracy to find the superior…

Computer Vision and Pattern Recognition · Computer Science 2023-05-19 Joonhyun Jeong , Joonsang Yu , Geondo Park , Dongyoon Han , YoungJoon Yoo

Neural architecture search (NAS) has shown promise towards automating neural network design for a given task, but it is computationally demanding due to training costs associated with evaluating a large number of architectures to find the…

Computer Vision and Pattern Recognition · Computer Science 2025-02-07 Shahid Siddiqui , Christos Kyrkou , Theocharis Theocharides

Neural Architecture Search remains a very challenging meta-learning problem. Several recent techniques based on parameter-sharing idea have focused on reducing the NAS running time by leveraging proxy models, leading to architectures with…

Machine Learning · Computer Science 2022-02-08 Minsu Cho , Mohammadreza Soltani , Chinmay Hegde

Neural architectures can be naturally viewed as computational graphs. Motivated by this perspective, we, in this paper, study neural architecture search (NAS) through the lens of learning random graph models. In contrast to existing NAS…

Machine Learning · Computer Science 2022-11-29 Muchen Li , Jeffrey Yunfan Liu , Leonid Sigal , Renjie Liao

Bayesian Optimization (BO) is a key methodology for accelerating molecular discovery by estimating the mapping from molecules to their properties while seeking the optimal candidate. Typically, BO iteratively updates a probabilistic…

Machine Learning · Computer Science 2025-12-17 Qi Chen , Fabio Ramos , Alán Aspuru-Guzik , Florian Shkurti

In neural architecture search (NAS), the space of neural network architectures is automatically explored to maximize predictive accuracy for a given task. Despite the success of recent approaches, most existing methods cannot be directly…

Machine Learning · Statistics 2019-02-15 Francesco Paolo Casale , Jonathan Gordon , Nicolo Fusi