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Graph-structured data is ubiquitous throughout natural and social sciences, and Graph Neural Networks (GNNs) have recently been shown to be effective at solving prediction and inference problems on graph data. In this paper, we propose and…

机器学习 · 计算机科学 2024-01-12 Victoria M. Dax , Jiachen Li , Kevin Leahy , Mykel J. Kochenderfer

This paper presents a novel method, named geodesic deformable networks (GDN), that for the first time enables the learning of geodesic flows of deformation fields derived from images. In particular, the capability of our proposed GDN being…

计算机视觉与模式识别 · 计算机科学 2025-12-10 Nian Wu , Miaomiao Zhang

In massive multi-input multi-output (MIMO) systems, the main bottlenecks of location- and orientation-assisted beam alignment using deep neural networks (DNNs) are large training overhead and significant performance degradation. This paper…

信号处理 · 电气工程与系统科学 2026-01-21 Yuzhu Lei , Qiqi Xiao , Yinghui He , Guanding Yu

Gaussian Processes (GPs) are widely seen as the state-of-the-art surrogate models for Bayesian optimization (BO) due to their ability to model uncertainty and their performance on tasks where correlations are easily captured (such as those…

机器学习 · 计算机科学 2024-12-13 Paul Brunzema , Mikkel Jordahn , John Willes , Sebastian Trimpe , Jasper Snoek , James Harrison

Bayesian Neural Networks (BNNs) are trained to optimize an entire distribution over their weights instead of a single set, having significant advantages in terms of, e.g., interpretability, multi-task learning, and calibration. Because of…

机器学习 · 计算机科学 2022-10-07 Jary Pomponi , Simone Scardapane , Aurelio Uncini

Bayesian optimisation (BO) uses probabilistic surrogate models - usually Gaussian processes (GPs) - for the optimisation of expensive black-box functions. At each BO iteration, the GP hyperparameters are fit to previously-evaluated data by…

机器学习 · 计算机科学 2021-05-04 George De Ath , Richard Everson , Jonathan Fieldsend

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

机器学习 · 计算机科学 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Time series forecasting is a challenging task due to the existence of complex and dynamic temporal dependencies. This can lead to incorrect predictions by even the best forecasting models. Using more training data is one way to improve the…

机器学习 · 计算机科学 2023-12-25 Sepideh Koohfar , Laura Dietz

Bayesian optimization (BO) is an effective paradigm for the optimization of expensive-to-sample systems. Standard BO learns the performance of a system $f(x)$ by using a Gaussian Process (GP) model; this treats the system as a black-box and…

机器学习 · 统计学 2025-01-03 Leonardo D. González , Victor M. Zavala

Machine learning algorithms frequently require careful tuning of model hyperparameters, regularization terms, and optimization parameters. Unfortunately, this tuning is often a "black art" that requires expert experience, unwritten rules of…

机器学习 · 统计学 2012-08-30 Jasper Snoek , Hugo Larochelle , Ryan P. Adams

Recent advances in reconstruction methods for inverse problems leverage powerful data-driven models, e.g., deep neural networks. These techniques have demonstrated state-of-the-art performances for several imaging tasks, but they often do…

计算机视觉与模式识别 · 计算机科学 2020-10-20 Riccardo Barbano , Chen Zhang , Simon Arridge , Bangti Jin

In this report paper we first present a report of the Advanced Machine Learning Course Project on the provided data set and then present a novel heuristic algorithm for exact Bayesian network (BN) structure discovery that uses decomposable…

人工智能 · 计算机科学 2014-11-26 Amir Arsalan Soltani

Bayesian Optimization (BO) is a common solution to search optimal hyperparameters based on sample observations of a machine learning model. Existing BO algorithms could converge slowly even collapse when the potential observation noise…

计算机视觉与模式识别 · 计算机科学 2022-10-10 Lei Cui , Yangguang Li , Xin Lu , Dong An , Fenggang Liu

This paper considers Bayesian optimization (BO) for problems with known outer problem structure. In contrast to the classic BO setting, where the objective function itself is unknown and needs to be iteratively estimated from noisy…

最优化与控制 · 数学 2025-03-19 Katrin Baumgärtner , Moritz Diehl

The increasing availability of graph-structured data motivates the task of optimising over functions defined on the node set of graphs. Traditional graph search algorithms can be applied in this case, but they may be sample-inefficient and…

机器学习 · 计算机科学 2023-10-31 Xingchen Wan , Pierre Osselin , Henry Kenlay , Binxin Ru , Michael A. Osborne , Xiaowen Dong

Bayesian optimization (BO) is a popular method for efficiently inferring optima of an expensive black-box function via a sequence of queries. Existing information-theoretic BO procedures aim to make queries that most reduce the uncertainty…

机器学习 · 统计学 2022-10-05 Willie Neiswanger , Lantao Yu , Shengjia Zhao , Chenlin Meng , Stefano Ermon

Bayesian Optimization (BO) has shown great promise for the global optimization of functions that are expensive to evaluate, but despite many successes, standard approaches can struggle in high dimensions. To improve the performance of BO,…

机器学习 · 计算机科学 2022-06-17 Sebastian Ament , Carla Gomes

When applying Machine Learning techniques to problems, one must select model parameters to ensure that the system converges but also does not become stuck at the objective function's local minimum. Tuning these parameters becomes a…

机器学习 · 统计学 2017-11-16 Lawrence Stewart , Mark Stalzer

Bayesian Neural Networks (BNNs) offer a mathematically grounded framework to quantify the uncertainty of model predictions but come with a prohibitive computation cost for both training and inference. In this work, we show a novel network…

机器学习 · 计算机科学 2022-02-10 Duo Wang , Yiren Zhao , Ilia Shumailov , Robert Mullins

Gaussian Processes (GPs) provide a convenient framework for specifying function-space priors, making them a natural choice for modeling uncertainty. In contrast, Bayesian Neural Networks (BNNs) offer greater scalability and extendability…

机器学习 · 计算机科学 2025-06-12 Marcin Sendera , Amin Sorkhei , Tomasz Kuśmierczyk