Uncertainty estimation is essential to make neural networks trustworthy in real-world applications. Extensive research efforts have been made to quantify and reduce predictive uncertainty.

This paper introduces an active learning framework for manifold Gaussian Process (GP) regression, combining manifold learning with strategic data selection to improve accuracy in high-dimensional spaces. Our method jointly optimizes a neural network for dimensionality reduction and a Gaussian process regressor in the latent space, supervised by an active learning criterion that minimizes global prediction error. Experiments on synthetic data demonstrate superior performance over randomly sequential learning. The framework efficiently handles complex, discontinuous functions while preserving computational tractability, offering practical value for scientific and engineering applications. Future work will focus on scalability and uncertainty-aware manifold learning.

This paper explores a federated learning approach that automatically selects the number of latent processes in multi-output Gaussian processes (MGPs). The MGP has seen great success as a transfer learning tool when data is generated from multiple sources/units/entities. A common approach in MGPs to transfer knowledge across units involves gathering all data from each unit to a central server and extracting common independent latent processes to express each unit as a linear combination of the shared latent patterns. However, this approach poses key challenges in (i) determining the adequate number of latent processes and (ii) relying on centralized learning which leads to potential privacy risks and significant computational burdens on the central server. To address these issues, we propose a hierarchical model that places spike-and-slab priors on the coefficients of each latent process. These priors help automatically select only needed latent processes by shrinking the coefficients of unnecessary ones to zero. To estimate the model while avoiding the drawbacks of centralized learning, we propose a variational inference-based approach, that formulates model inference as an optimization problem compatible with federated settings. We then design a federated learning algorithm that allows units to jointly select and infer the common latent processes without sharing their data. We also discuss an efficient learning approach for a new unit within our proposed federated framework. Simulation and case studies on Li-ion battery degradation and air temperature data demonstrate the advantageous features of our proposed approach.

The decisions of individuals and organizations are often suboptimal because normative decision strategies are too demanding in the real world. Recent work suggests that some errors can be prevented by leveraging artificial intelligence to discover and teach prescriptive decision strategies that take people's constraints into account. So far, this line of research has been limited to simplified decision problems. This article is the first to extend this approach to a real-world decision problem, namely project selection. We develop a computational method (MGPS) that automatically discovers project selection strategies that are optimized for real people and develop an intelligent tutor that teaches the discovered strategies. We evaluated MGPS on a computational benchmark and tested the intelligent tutor in a training experiment with two control conditions. MGPS outperformed a state-of-the-art method and was more computationally efficient. Moreover, the intelligent tutor significantly improved people's decision strategies. Our results indicate that our method can improve human decision-making in naturalistic settings similar to real-world project selection, a first step towards applying strategy discovery to the real world.

We propose a multiresolution Gaussian process to capture long-range, non-Markovian dependencies while allowing for abrupt changes and non-stationarity. The multiresolution GP hierarchically couples a collection of smooth GPs, each defined over an element of a random nested partition. Long-range dependencies are captured by the top-level GP while the partition points define the abrupt changes. Due to the inherent conjugacy of the GPs, one can analytically marginalize the GPs and compute the marginal likelihood of the observations given the partition tree. This property allows for efficient inference of the partition itself, for which we employ graph-theoretic techniques. We apply the multiresolution GP to the analysis of magnetoencephalography (MEG) recordings of brain activity.

The real-world data tends to be heavily imbalanced and severely skew the data-driven deep neural networks, which makes Long-Tailed Recognition (LTR) a massive challenging task. Existing LTR methods seldom train Vision Transformers (ViTs) with Long-Tailed (LT) data, while the off-the-shelf pretrain weight of ViTs always leads to unfair comparisons. In this paper, we systematically investigate the ViTs' performance in LTR and propose LiVT to train ViTs from scratch only with LT data. With the observation that ViTs suffer more severe LTR problems, we conduct Masked Generative Pretraining (MGP) to learn generalized features. With ample and solid evidence, we show that MGP is more robust than supervised manners. In addition, Binary Cross Entropy (BCE) loss, which shows conspicuous performance with ViTs, encounters predicaments in LTR. We further propose the balanced BCE to ameliorate it with strong theoretical groundings. Specially, we derive the unbiased extension of Sigmoid and compensate extra logit margins to deploy it. Our Bal-BCE contributes to the quick convergence of ViTs in just a few epochs. Extensive experiments demonstrate that with MGP and Bal-BCE, LiVT successfully trains ViTs well without any additional data and outperforms comparable state-of-the-art methods significantly, e.g., our ViT-B achieves 81.0% Top-1 accuracy in iNaturalist 2018 without bells and whistles. Code is available at https://github.com/XuZhengzhuo/LiVT.

Uncertainty estimation is essential to make neural networks trustworthy in real-world applications. Extensive research efforts have been made to quantify and reduce predictive uncertainty. However, most existing works are designed for unimodal data, whereas multi-view uncertainty estimation has not been sufficiently investigated. Therefore, we propose a new multi-view classification framework for better uncertainty estimation and out-of-domain sample detection, where we associate each view with an uncertainty-aware classifier and combine the predictions of all the views in a principled way. The experimental results with real-world datasets demonstrate that our proposed approach is an accurate, reliable, and well-calibrated classifier, which predominantly outperforms the multi-view baselines tested in terms of expected calibration error, robustness to noise, and accuracy for the in-domain sample classification and the out-of-domain sample detection tasks.

Missing values are common in many real-life datasets. However, most of the current machine learning methods can not handle missing values. This means that they should be imputed beforehand. Gaussian Processes (GPs) are non-parametric models with accurate uncertainty estimates that combined with sparse approximations and stochastic variational inference scale to large data sets. Sparse GPs can be used to compute a predictive distribution for missing data. Here, we present a hierarchical composition of sparse GPs that is used to predict missing values at each dimension using all the variables from the other dimensions. We call the approach missing GP (MGP). MGP can be trained simultaneously to impute all observed missing values. Specifically, it outputs a predictive distribution for each missing value that is then used in the imputation of other missing values. We evaluate MGP in one private clinical data set and four UCI datasets with a different percentage of missing values. We compare the performance of MGP with other state-of-the-art methods for imputing missing values, including variants based on sparse GPs and deep GPs. The results obtained show a significantly better performance of MGP.

The multi-output Gaussian process ($\mathcal{MGP}$) is based on the assumption that outputs share commonalities, however, if this assumption does not hold negative transfer will lead to decreased performance relative to learning outputs independently or in subsets. In this article, we first define negative transfer in the context of an $\mathcal{MGP}$ and then derive necessary conditions for an $\mathcal{MGP}$ model to avoid negative transfer. Specifically, under the convolution construction, we show that avoiding negative transfer is mainly dependent on having a sufficient number of latent functions $Q$ regardless of the flexibility of the kernel or inference procedure used. However, a slight increase in $Q$ leads to a large increase in the number of parameters to be estimated. To this end, we propose two latent structures that scale to arbitrarily large datasets, can avoid negative transfer and allow any kernel or sparse approximations to be used within. These structures also allow regularization which can provide consistent and automatic selection of related outputs.