Kian Ming A. Chai

Kian Ming A. Chai, Edwin V. Bonilla

We introduce a novel one-parameter variational objective that lower bounds the data evidence and enables the estimation of approximate fractional posteriors. We extend this framework to hierarchical construction and Bayes posteriors, offering a versatile tool for probabilistic modelling. We demonstrate two cases where gradients can be obtained analytically and a simulation study on mixture models showing that our fractional posteriors can be used to achieve better calibration compared to posteriors from the conventional variational bound. When applied to variational autoencoders (VAEs), our approach attains higher evidence bounds and enables learning of high-performing approximate Bayes posteriors jointly with fractional posteriors. We show that VAEs trained with fractional posteriors produce decoders that are better aligned for generation from the prior.

Rafael Oliveira, Xuesong Wang, Kian Ming A. Chai et al.

We propose an extension of Thompson sampling to optimization problems over function spaces where the objective is a known functional of an unknown operator's output. We assume that queries to the operator (such as running a high-fidelity simulator or physical experiment) are costly, while functional evaluations on the operator's output are inexpensive. Our algorithm employs a sample-then-optimize approach using neural operator surrogates. This strategy avoids explicit uncertainty quantification by treating trained neural operators as approximate samples from a Gaussian process (GP) posterior. We derive regret bounds and theoretical results connecting neural operators with GPs in infinite-dimensional settings. Experiments benchmark our method against other Bayesian optimization baselines on functional optimization tasks involving partial differential equations of physical systems, demonstrating better sample efficiency and significant performance gains.

Qiaoliang Xiang, Qi Mao, Kian Ming Chai et al.

Clustering evaluation measures are frequently used to evaluate the performance of algorithms. However, most measures are not properly normalized and ignore some information in the inherent structure of clusterings. We model the relation between two clusterings as a bipartite graph and propose a general component-based decomposition formula based on the components of the graph. Most existing measures are examples of this formula. In order to satisfy consistency in the component, we further propose a split-merge framework for comparing clusterings of different data sets. Our framework gives measures that are conditionally normalized, and it can make use of data point information, such as feature vectors and pairwise distances. We use an entropy-based instance of the framework and a coreference resolution data set to demonstrate empirically the utility of our framework over other measures.

Ye Nan, Kian Ming Chai, Wee Sun Lee et al.

F-measures are popular performance metrics, particularly for tasks with imbalanced data sets. Algorithms for learning to maximize F-measures follow two approaches: the empirical utility maximization (EUM) approach learns a classifier having optimal performance on training data, while the decision-theoretic approach learns a probabilistic model and then predicts labels with maximum expected F-measure. In this paper, we investigate the theoretical justifications and connections for these two approaches, and we study the conditions under which one approach is preferable to the other using synthetic and real datasets. Given accurate models, our results suggest that the two approaches are asymptotically equivalent given large training and test sets. Nevertheless, empirically, the EUM approach appears to be more robust against model misspecification, and given a good model, the decision-theoretic approach appears to be better for handling rare classes and a common domain adaptation scenario.