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Beam search is a go-to strategy for decoding neural sequence models. The algorithm can naturally be viewed as a subset optimization problem, albeit one where the corresponding set function does not reflect interactions between candidates.…

Computation and Language · Computer Science 2023-06-26 Clara Meister , Martina Forster , Ryan Cotterell

Bayesian optimization with Gaussian processes (GP) is commonly used to optimize black-box functions. The Mat\'ern and the Radial Basis Function (RBF) covariance functions are used frequently, but they do not make any assumptions about the…

Machine Learning · Computer Science 2025-06-23 Huy Hoang Nguyen , Han Zhou , Matthew B. Blaschko , Aleksei Tiulpin

The problem of sequentially maximizing the expectation of a function seeks to maximize the expected value of a function of interest without having direct control on its features. Instead, the distribution of such features depends on a given…

Machine Learning · Statistics 2022-10-26 Diego Martinez-Taboada , Dino Sejdinovic

Barren plateaus, which means the training gradients become extremely small, pose a major challenge in optimizing parameterized quantum circuits, often making the learning process impractically slow or stall. This work shows why using neural…

Quantum Physics · Physics 2025-12-03 Zhehao Yi , Rahul Bhadani

Local optimization presents a promising approach to expensive, high-dimensional black-box optimization by sidestepping the need to globally explore the search space. For objective functions whose gradient cannot be evaluated directly,…

Machine Learning · Computer Science 2023-01-18 Quan Nguyen , Kaiwen Wu , Jacob R. Gardner , Roman Garnett

Backbone architectures of most binary networks are well-known floating point architectures such as the ResNet family. Questioning that the architectures designed for floating point networks would not be the best for binary networks, we…

Computer Vision and Pattern Recognition · Computer Science 2020-04-13 Dahyun Kim , Kunal Pratap Singh , Jonghyun Choi

Graph neural networks for molecular property prediction are frequently underspecified by data and fail to generalise to new scaffolds at test time. A potential solution is Bayesian learning, which can capture our uncertainty in the model…

Biomolecules · Quantitative Biology 2020-12-04 George Lamb , Brooks Paige

Bayesian optimization has recently emerged as a popular and efficient tool for global optimization and hyperparameter tuning. Currently, the established Bayesian optimization practice requires a user-defined bounding box which is assumed to…

Machine Learning · Statistics 2015-08-18 Bobak Shahriari , Alexandre Bouchard-Côté , Nando de Freitas

We introduce a unified framework for contextual and causal Bayesian optimisation, which aims to design intervention policies maximising the expectation of a target variable. Our approach leverages both observed contextual information and…

Machine Learning · Computer Science 2026-02-04 Vahan Arsenyan , Antoine Grosnit , Haitham Bou-Ammar , Arnak Dalalyan

We tackle the problem of optimizing over all possible positive definite radial kernels on Riemannian manifolds for classification. Kernel methods on Riemannian manifolds have recently become increasingly popular in computer vision. However,…

Computer Vision and Pattern Recognition · Computer Science 2014-12-16 Sadeep Jayasumana , Richard Hartley , Mathieu Salzmann , Hongdong Li , Mehrtash Harandi

Many systems require optimisation over multiple objectives, where objectives are characteristics of the system such as energy consumed or increase in time to perform the work. Optimisation is performed by selecting the `best' set of input…

Performance · Computer Science 2019-10-08 Alexander J. M. Kell , Matthew Forshaw , A. Stephen McGough

In practice, objective functions of real-time control systems can have multiple local minimums or can dramatically change over the function space, making them hard to optimize. To efficiently optimize such systems, in this paper, we develop…

Optimization and Control · Mathematics 2022-01-26 Haowei Wang , Songhao Wang , Qun Meng , Szu Hui Ng

Bayesian neural networks (BNNs) have recently regained a significant amount of attention in the deep learning community due to the development of scalable approximate Bayesian inference techniques. There are several advantages of using a…

Machine Learning · Statistics 2023-05-02 Aliaksandr Hubin , Geir Storvik

We propose a new scalable method to optimize the architecture of an artificial neural network. The proposed algorithm, called Greedy Search for Neural Network Architecture, aims to determine a neural network with minimal number of layers…

Machine Learning · Computer Science 2021-04-30 Massimiliano Lupo Pasini , Junqi Yin , Ying Wai Li , Markus Eisenbach

Artificial neural networks have gone through a recent rise in popularity, achieving state-of-the-art results in various fields, including image classification, speech recognition, and automated control. Both the performance and…

Neural and Evolutionary Computing · Computer Science 2016-11-08 Sean C. Smithson , Guang Yang , Warren J. Gross , Brett H. Meyer

In the framework of computational complexity and in an effort to define a more natural reduction for problems of equivalence, we investigate the recently introduced kernel reduction, a reduction that operates on each element of a pair…

Computational Complexity · Computer Science 2016-04-29 Jeffrey Finkelstein , Benjamin Hescott

While Retrieval Augmented Generation (RAG) has emerged as a popular technique for improving Large Language Model (LLM) systems, it introduces a large number of choices, parameters and hyperparameters that must be made or tuned. This…

Machine Learning · Computer Science 2025-05-09 Matthew Barker , Andrew Bell , Evan Thomas , James Carr , Thomas Andrews , Umang Bhatt

Bayesian Neural Networks (BNNs) offer probability distributions for model parameters, enabling uncertainty quantification in predictions. However, they often underperform compared to deterministic neural networks. Utilizing mutual learning…

Machine Learning · Computer Science 2024-07-04 Cuong Pham , Cuong C. Nguyen , Trung Le , Dinh Phung , Gustavo Carneiro , Thanh-Toan Do

Over the past half-decade, many methods have been considered for neural architecture search (NAS). Bayesian optimization (BO), which has long had success in hyperparameter optimization, has recently emerged as a very promising strategy for…

Machine Learning · Computer Science 2022-06-13 Colin White , Willie Neiswanger , Yash Savani

When tuning the architecture and hyperparameters of large machine learning models for on-device deployment, it is desirable to understand the optimal trade-offs between on-device latency and model accuracy. In this work, we leverage recent…