We study acquisition functions for active learning (AL) for text classification. The Expected Loss Reduction (ELR) method focuses on a Bayesian estimate of the reduction in classification error, recently updated with Mean Objective Cost of Uncertainty (MOCU). We convert the ELR framework to estimate the increase in (strictly proper) scores like log probability or negative mean square error, which we call Bayesian Estimate of Mean Proper Scores (BEMPS). We also prove convergence results borrowing techniques used with MOCU. In order to allow better experimentation with the new acquisition functions, we develop a complementary batch AL algorithm, which encourages diversity in the vector of expected changes in scores for unlabelled data. To allow high performance text classifiers, we combine ensembling and dynamic validation set construction on pretrained language models. Extensive experimental evaluation then explores how these different acquisition functions perform. The results show that the use of mean square error and log probability with BEMPS yields robust acquisition functions, which consistently outperform the others tested.

One's ability to learn a generative model of the world without supervision depends on the extent to which one can construct abstract knowledge representations that generalize across experiences. To this end, capturing an accurate statistical structure from observational data provides useful inductive biases that can be transferred to novel environments. Here, we tackle the problem of learning to control dynamical systems by applying Bayesian nonparametric methods, which is applied to solve visual servoing tasks. This is accomplished by first learning a state space representation, then inferring environmental dynamics and improving the policies through imagined future trajectories. Bayesian nonparametric models provide automatic model adaptation, which not only combats underfitting and overfitting, but also allows the model's unbounded dimension to be both flexible and computationally tractable. By employing Gaussian processes to discover latent world dynamics, we mitigate common data efficiency issues observed in reinforcement learning and avoid introducing explicit model bias by describing the system's dynamics. Our algorithm jointly learns a world model and policy by optimizing a variational lower bound of a log-likelihood with respect to the expected free energy minimization objective function. Finally, we compare the performance of our model with the state-of-the-art alternatives for continuous control tasks in simulated environments.

Hamiltonian Monte Carlo (HMC) is a popular Markov Chain Monte Carlo (MCMC) algorithm to sample from an unnormalized probability distribution. A leapfrog integrator is commonly used to implement HMC in practice, but its performance can be sensitive to the choice of mass matrix used therein. We develop a gradient-based algorithm that allows for the adaptation of the mass matrix by encouraging the leapfrog integrator to have high acceptance rates while also exploring all dimensions jointly. In contrast to previous work that adapt the hyperparameters of HMC using some form of expected squared jumping distance, the adaptation strategy suggested here aims to increase sampling efficiency by maximizing an approximation of the proposal entropy. We illustrate that using multiple gradients in the HMC proposal can be beneficial compared to a single gradient-step in Metropolis-adjusted Langevin proposals. Empirical evidence suggests that the adaptation method can outperform different versions of HMC schemes by adjusting the mass matrix to the geometry of the target distribution and by providing some control on the integration time.

We investigate the problem of minimizing the excess generalization error with respect to the best expert prediction in a finite family in the stochastic setting, under limited access to information. We assume that the learner only has access to a limited number of expert advices per training round, as well as for prediction. Assuming that the loss function is Lipschitz and strongly convex, we show that if we are allowed to see the advice of only one expert per round for T rounds in the training phase, or to use the advice of only one expert for prediction in the test phase, the worst-case excess risk is $\Omega$(1/ $\sqrt$ T) with probability lower bounded by a constant. However, if we are allowed to see at least two actively chosen expert advices per training round and use at least two experts for prediction, the fast rate O(1/T) can be achieved. We design novel algorithms achieving this rate in this setting, and in the setting where the learner has a budget constraint on the total number of observed expert advices, and give precise instance-dependent bounds on the number of training rounds and queries needed to achieve a given generalization error precision.

There are proposals that extend the classical generalized additive models (GAMs) to accommodate high-dimensional data ($p>>n$) using group sparse regularization. However, the sparse regularization may induce excess shrinkage when estimating smoothing functions, damaging predictive performance. Moreover, most of these GAMs consider an "all-in-all-out" approach for functional selection, rendering them difficult to answer if nonlinear effects are necessary. While some Bayesian models can address these shortcomings, using Markov chain Monte Carlo algorithms for model fitting creates a new challenge, scalability. Hence, we propose Bayesian hierarchical generalized additive models as a solution: we consider the smoothing penalty for proper shrinkage of curve interpolation and separation of smoothing function linear and nonlinear spaces. A novel spike-and-slab spline prior is proposed to select components of smoothing functions. Two scalable and deterministic algorithms, EM-Coordinate Descent and EM-Iterative Weighted Least Squares, are developed for different utilities. Simulation studies and metabolomics data analyses demonstrate improved predictive or computational performance against state-of-the-art models, mgcv, COSSO and sparse Bayesian GAM. The software implementation of the proposed models is freely available via an R package BHAM.

Many widely used datasets for graph machine learning tasks have generally been homophilous, where nodes with similar labels connect to each other. Recently, new Graph Neural Networks (GNNs) have been developed that move beyond the homophily regime; however, their evaluation has often been conducted on small graphs with limited application domains. We collect and introduce diverse non-homophilous datasets from a variety of application areas that have up to 384x more nodes and 1398x more edges than prior datasets. We further show that existing scalable graph learning and graph minibatching techniques lead to performance degradation on these non-homophilous datasets, thus highlighting the need for further work on scalable non-homophilous methods. To address these concerns, we introduce LINKX -- a strong simple method that admits straightforward minibatch training and inference. Extensive experimental results with representative simple methods and GNNs across our proposed datasets show that LINKX achieves state-of-the-art performance for learning on non-homophilous graphs. Our codes and data are available at https://github.com/CUAI/Non-Homophily-Large-Scale.

Active learning is a subfield of machine learning that is devised for design and modeling of systems with highly expensive sampling costs. Industrial and engineering systems are generally subject to physics constraints that may induce fatal failures when they are violated, while such constraints are frequently underestimated in active learning. In this paper, we develop a novel active learning method that avoids failures considering implicit physics constraints that govern the system. The proposed approach is driven by two tasks: the safe variance reduction explores the safe region to reduce the variance of the target model, and the safe region expansion aims to extend the explorable region exploiting the probabilistic model of constraints. The global acquisition function is devised to judiciously optimize acquisition functions of two tasks, and its theoretical properties are provided. The proposed method is applied to the composite fuselage assembly process with consideration of material failure using the Tsai-wu criterion, and it is able to achieve zero-failure without the knowledge of explicit failure regions.

In recent years, local differential privacy (LDP) has emerged as a technique of choice for privacy-preserving data collection in several scenarios when the aggregator is not trustworthy. LDP provides client-side privacy by adding noise at the user's end. Thus, clients need not rely on the trustworthiness of the aggregator. In this work, we provide a noise-aware probabilistic modeling framework, which allows Bayesian inference to take into account the noise added for privacy under LDP, conditioned on locally perturbed observations. Stronger privacy protection (compared to the central model) provided by LDP protocols comes at a much harsher privacy-utility trade-off. Our framework tackles several computational and statistical challenges posed by LDP for accurate uncertainty quantification under Bayesian settings. We demonstrate the efficacy of our framework in parameter estimation for univariate and multi-variate distributions as well as logistic and linear regression.

Gaussian processes are machine learning models capable of learning unknown functions in a way that represents uncertainty, thereby facilitating construction of optimal decision-making systems. Motivated by a desire to deploy Gaussian processes in novel areas of science, a rapidly-growing line of research has focused on constructively extending these models to handle non-Euclidean domains, including Riemannian manifolds, such as spheres and tori. We propose techniques that generalize this class to model vector fields on Riemannian manifolds, which are important in a number of application areas in the physical sciences. To do so, we present a general recipe for constructing gauge independent kernels, which induce Gaussian vector fields, i.e. vector-valued Gaussian processes coherent with geometry, from scalar-valued Riemannian kernels. We extend standard Gaussian process training methods, such as variational inference, to this setting. This enables vector-valued Gaussian processes on Riemannian manifolds to be trained using standard methods and makes them accessible to machine learning practitioners.

Traffic forecasting is an integral part of intelligent transportation systems (ITS). Achieving a high prediction accuracy is a challenging task due to a high level of dynamics and complex spatial-temporal dependency of road networks. For this task, we propose Graph Attention-Convolution-Attention Networks (GACAN). The model uses a novel Att-Conv-Att (ACA) block which contains two graph attention layers and one spectral-based GCN layer sandwiched in between. The graph attention layers are meant to capture temporal features while the spectral-based GCN layer is meant to capture spatial features. The main novelty of the model is the integration of time series of four different time granularities: the original time series, together with hourly, daily, and weekly time series. Unlike previous work that used multi-granularity time series by handling every time series separately, GACAN combines the outcome of processing all time series after each graph attention layer. Thus, the effects of different time granularities are integrated throughout the model. We perform a series of experiments on three real-world datasets. The experimental results verify the advantage of using multi-granularity time series and that the proposed GACAN model outperforms the state-of-the-art baselines.