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Bayesian methods in machine learning, such as Gaussian processes, have great advantages com-pared to other techniques. In particular, they provide estimates of the uncertainty associated with a prediction. Extending the Bayesian approach to…

Quantum Physics · Physics 2019-05-20 Zhikuan Zhao , Alejandro Pozas-Kerstjens , Patrick Rebentrost , Peter Wittek

While pseudospectral (PS) methods can feature very high accuracy, they tend to be severely limited in terms of geometric flexibility. Application of global radial basis functions overcomes this, however at the expense of problematic…

Numerical Analysis · Mathematics 2017-05-09 Pankaj K Mishra , Sankar K Nath , Gregor Kosec , Mrinal K Sen

The acquisition of labels for supervised learning can be expensive. To improve the sample efficiency of neural network regression, we study active learning methods that adaptively select batches of unlabeled data for labeling. We present a…

Machine Learning · Statistics 2023-08-02 David Holzmüller , Viktor Zaverkin , Johannes Kästner , Ingo Steinwart

Deep neural networks are increasingly being used for the analysis of medical images. However, most works neglect the uncertainty in the model's prediction. We propose an uncertainty-aware deep kernel learning model which permits the…

Machine Learning · Computer Science 2021-06-11 Zhiliang Wu , Yinchong Yang , Jindong Gu , Volker Tresp

Affordances are fundamental descriptors of relationships between actions, objects and effects. They provide the means whereby a robot can predict effects, recognize actions, select objects and plan its behavior according to desired goals.…

Robotics · Computer Science 2024-02-12 Pedro Osório , Alexandre Bernardino , Ruben Martinez-Cantin , José Santos-Victor

Gaussian processes (GPs) are powerful probabilistic models that define flexible priors over functions, offering strong interpretability and uncertainty quantification. However, GP models often rely on simple, stationary kernels which can…

Machine Learning · Computer Science 2025-05-20 Nima Negarandeh , Carlos Mora , Ramin Bostanabad

Robustness of deep neural networks to input noise remains a critical challenge, as naive noise injection often degrades accuracy on clean (uncorrupted) data. We propose a novel training framework that addresses this trade-off through two…

Machine Learning · Statistics 2026-01-06 Hai-Vy Nguyen , Fabrice Gamboa , Sixin Zhang , Reda Chhaibi , Serge Gratton , Thierry Giaccone

Deep kernel learning combines the non-parametric flexibility of kernel methods with the inductive biases of deep learning architectures. We propose a novel deep kernel learning model and stochastic variational inference procedure which…

Machine Learning · Statistics 2016-11-03 Andrew Gordon Wilson , Zhiting Hu , Ruslan Salakhutdinov , Eric P. Xing

With great progress in the development of Generative Adversarial Networks (GANs), in recent years, the quest for insights in understanding and manipulating the latent space of GAN has gained more and more attention due to its wide range of…

Machine Learning · Computer Science 2021-02-25 Toan Pham Van , Tam Minh Nguyen , Ngoc N. Tran , Hoai Viet Nguyen , Linh Bao Doan , Huy Quang Dao , Thanh Ta Minh

Gaussian graphical regressions have emerged as a powerful approach for regressing the precision matrix of a Gaussian graphical model on covariates, which, unlike traditional Gaussian graphical models, can help determine how graphs are…

Methodology · Statistics 2025-01-17 Xuran Meng , Jingfei Zhang , Yi Li

We investigate the use of derivative information for Batch Active Learning in Gaussian Process regression models. The proposed approach employs the predictive covariance matrix for selection of data batches to exploit full correlation of…

Machine Learning · Computer Science 2024-08-06 Hon Sum Alec Yu , Christoph Zimmer , Duy Nguyen-Tuong

In the machine learning domain, active learning is an iterative data selection algorithm for maximizing information acquisition and improving model performance with limited training samples. It is very useful, especially for the industrial…

Machine Learning · Statistics 2020-04-24 Xiaowei Yue , Yuchen Wen , Jeffrey H. Hunt , Jianjun Shi

Gaussian graphical models (GGMs) are widely used for statistical modeling, because of ease of inference and the ubiquitous use of the normal distribution in practical approximations. However, they are also known for their limited modeling…

Machine Learning · Statistics 2016-11-22 Qinliang Su , Xuejun Liao , Chunyuan Li , Zhe Gan , Lawrence Carin

Efficiently learning mixture of Gaussians is a fundamental problem in statistics and learning theory. Given samples coming from a random one out of k Gaussian distributions in Rn, the learning problem asks to estimate the means and the…

Machine Learning · Computer Science 2015-03-11 Rong Ge , Qingqing Huang , Sham M. Kakade

The Gauss-Newton (GN) matrix plays an important role in machine learning, most evident in its use as a preconditioning matrix for a wide family of popular adaptive methods to speed up optimization. Besides, it can also provide key insights…

Machine Learning · Computer Science 2025-02-28 Jim Zhao , Sidak Pal Singh , Aurelien Lucchi

We address the challenging problem of deep representation learning--the efficient adaption of a pre-trained deep network to different tasks. Specifically, we propose to explore gradient-based features. These features are gradients of the…

Machine Learning · Computer Science 2020-04-14 Fangzhou Mu , Yingyu Liang , Yin Li

Gaussian Process (GP) regression is a powerful nonparametric Bayesian framework, but its performance depends critically on the choice of covariance kernel. Selecting an appropriate kernel is therefore central to model quality, yet remains…

Machine Learning · Computer Science 2026-01-14 Md Shafiqul Islam , Shakti Prasad Padhy , Douglas Allaire , Raymundo Arróyave

Spatial prediction problems often use Gaussian process models, which can be computationally burdensome in high dimensions. Specification of an appropriate covariance function for the model can be challenging when complex non-stationarities…

Methodology · Statistics 2024-09-13 Qi Wang , Paul A. Parker , Robert B. Lund

Radiance fields are powerful and, hence, popular models for representing the appearance of complex scenes. Yet, constructing them based on image observations gives rise to ambiguities and uncertainties. We propose a versatile approach for…

Computer Vision and Pattern Recognition · Computer Science 2024-09-20 Linjie Lyu , Ayush Tewari , Marc Habermann , Shunsuke Saito , Michael Zollhöfer , Thomas Leimkühler , Christian Theobalt

The vibrational behavior of molecules serves as a crucial fingerprint of their structure, chemical state, and surrounding environment. Neutron vibrational spectroscopy provides comprehensive measurements of vibrational modes without…

Chemical Physics · Physics 2025-02-19 Bowen Han , Pei Zhang , Kshitij Mehta , Massimiliano Lupo Pasini , Mingda Li , Yongqiang Cheng
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