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Gaussian processes are a powerful framework for quantifying uncertainty and for sequential decision-making but are limited by the requirement of solving linear systems. In general, this has a cubic cost in dataset size and is sensitive to conditioning. We explore stochastic gradient algorithms as a computationally efficient method of approximately solving these linear systems: we develop low-variance optimization objectives for sampling from the posterior and extend these to inducing points. Counterintuitively, stochastic gradient descent often produces accurate predictions, even in cases where it does not converge quickly to the optimum. We explain this through a spectral characterization of the implicit bias from non-convergence. We show that stochastic gradient descent produces predictive distributions close to the true posterior both in regions with sufficient data coverage, and in regions sufficiently far away from the data. Experimentally, stochastic gradient descent achieves state-of-the-art performance on sufficiently large-scale or ill-conditioned regression tasks. Its uncertainty estimates match the performance of significantly more expensive baselines on a large-scale Bayesian~optimization~task.

Thematic analysis and other variants of inductive coding are widely used qualitative analytic methods within empirical legal studies (ELS). We propose a novel framework facilitating effective collaboration of a legal expert with a large language model (LLM) for generating initial codes (phase 2 of thematic analysis), searching for themes (phase 3), and classifying the data in terms of the themes (to kick-start phase 4). We employed the framework for an analysis of a dataset (n=785) of facts descriptions from criminal court opinions regarding thefts. The goal of the analysis was to discover classes of typical thefts. Our results show that the LLM, namely OpenAI's GPT-4, generated reasonable initial codes, and it was capable of improving the quality of the codes based on expert feedback. They also suggest that the model performed well in zero-shot classification of facts descriptions in terms of the themes. Finally, the themes autonomously discovered by the LLM appear to map fairly well to the themes arrived at by legal experts. These findings can be leveraged by legal researchers to guide their decisions in integrating LLMs into their thematic analyses, as well as other inductive coding projects.

Although equivariant machine learning has proven effective at many tasks, success depends heavily on the assumption that the ground truth function is symmetric over the entire domain matching the symmetry in an equivariant neural network. A missing piece in the equivariant learning literature is the analysis of equivariant networks when symmetry exists only partially in the domain. In this work, we present a general theory for such a situation. We propose pointwise definitions of correct, incorrect, and extrinsic equivariance, which allow us to quantify continuously the degree of each type of equivariance a function displays. We then study the impact of various degrees of incorrect or extrinsic symmetry on model error. We prove error lower bounds for invariant or equivariant networks in classification or regression settings with partially incorrect symmetry. We also analyze the potentially harmful effects of extrinsic equivariance. Experiments validate these results in three different environments.

Principal component regression (PCR) is a popular technique for fixed-design error-in-variables regression, a generalization of the linear regression setting in which the observed covariates are corrupted with random noise. We provide the first time-uniform finite sample guarantees for online (regularized) PCR whenever data is collected adaptively. Since the proof techniques for analyzing PCR in the fixed design setting do not readily extend to the online setting, our results rely on adapting tools from modern martingale concentration to the error-in-variables setting. As an application of our bounds, we provide a framework for experiment design in panel data settings when interventions are assigned adaptively. Our framework may be thought of as a generalization of the synthetic control and synthetic interventions frameworks, where data is collected via an adaptive intervention assignment policy.

In computational neuroscience, there has been an increased interest in developing machine learning algorithms that leverage brain imaging data to provide estimates of "brain age" for an individual. Importantly, the discordance between brain age and chronological age (referred to as "brain age gap") can capture accelerated aging due to adverse health conditions and therefore, can reflect increased vulnerability towards neurological disease or cognitive impairments. However, widespread adoption of brain age for clinical decision support has been hindered due to lack of transparency and methodological justifications in most existing brain age prediction algorithms. In this paper, we leverage coVariance neural networks (VNN) to propose an explanation-driven and anatomically interpretable framework for brain age prediction using cortical thickness features. Specifically, our brain age prediction framework extends beyond the coarse metric of brain age gap in Alzheimer's disease (AD) and we make two important observations: (i) VNNs can assign anatomical interpretability to elevated brain age gap in AD by identifying contributing brain regions, (ii) the interpretability offered by VNNs is contingent on their ability to exploit specific eigenvectors of the anatomical covariance matrix. Together, these observations facilitate an explainable and anatomically interpretable perspective to the task of brain age prediction.

Learning controllers with offline data in decision-making systems is an essential area of research due to its potential to reduce the risk of applications in real-world systems. However, in responsibility-sensitive settings such as healthcare, decision accountability is of paramount importance, yet has not been adequately addressed by the literature. This paper introduces the Accountable Offline Controller (AOC) that employs the offline dataset as the Decision Corpus and performs accountable control based on a tailored selection of examples, referred to as the Corpus Subset. AOC operates effectively in low-data scenarios, can be extended to the strictly offline imitation setting, and displays qualities of both conservation and adaptability. We assess AOC's performance in both simulated and real-world healthcare scenarios, emphasizing its capability to manage offline control tasks with high levels of performance while maintaining accountability.

Anomaly detection in imbalanced datasets is a frequent and crucial problem, especially in the medical domain where retrieving and labeling irregularities is often expensive. By combining the generative stability of a $\beta$-variational autoencoder (VAE) with the discriminative strengths of generative adversarial networks (GANs), we propose a novel model, $\beta$-VAEGAN. We investigate methods for composing anomaly scores based on the discriminative and reconstructive capabilities of our model. Existing work focuses on linear combinations of these components to determine if data is anomalous. We advance existing work by training a kernelized support vector machine (SVM) on the respective error components to also consider nonlinear relationships. This improves anomaly detection performance, while allowing faster optimization. Lastly, we use the deviations from the Gaussian prior of $\beta$-VAEGAN to form a novel anomaly score component. In comparison to state-of-the-art work, we improve the $F_1$ score during anomaly detection from 0.85 to 0.92 on the widely used MITBIH Arrhythmia Database.

Querying knowledge graphs (KGs) using deep learning approaches can naturally leverage the reasoning and generalization ability to learn to infer better answers. Traditional neural complex query answering (CQA) approaches mostly work on entity-centric KGs. However, in the real world, we also need to make logical inferences about events, states, and activities (i.e., eventualities or situations) to push learning systems from System I to System II, as proposed by Yoshua Bengio. Querying logically from an EVentuality-centric KG (EVKG) can naturally provide references to such kind of intuitive and logical inference. Thus, in this paper, we propose a new framework to leverage neural methods to answer complex logical queries based on an EVKG, which can satisfy not only traditional first-order logic constraints but also implicit logical constraints over eventualities concerning their occurrences and orders. For instance, if we know that "Food is bad" happens before "PersonX adds soy sauce", then "PersonX adds soy sauce" is unlikely to be the cause of "Food is bad" due to implicit temporal constraint. To facilitate consistent reasoning on EVKGs, we propose Complex Eventuality Query Answering (CEQA), a more rigorous definition of CQA that considers the implicit logical constraints governing the temporal order and occurrence of eventualities. In this manner, we propose to leverage theorem provers for constructing benchmark datasets to ensure the answers satisfy implicit logical constraints. We also propose a Memory-Enhanced Query Encoding (MEQE) approach to significantly improve the performance of state-of-the-art neural query encoders on the CEQA task.

Fairness in predictions is of direct importance in practice due to legal, ethical, and societal reasons. It is often achieved through counterfactual fairness, which ensures that the prediction for an individual is the same as that in a counterfactual world under a different sensitive attribute. However, achieving counterfactual fairness is challenging as counterfactuals are unobservable. In this paper, we develop a novel deep neural network called Generative Counterfactual Fairness Network (GCFN) for making predictions under counterfactual fairness. Specifically, we leverage a tailored generative adversarial network to directly learn the counterfactual distribution of the descendants of the sensitive attribute, which we then use to enforce fair predictions through a novel counterfactual mediator regularization. If the counterfactual distribution is learned sufficiently well, our method is mathematically guaranteed to ensure the notion of counterfactual fairness. Thereby, our GCFN addresses key shortcomings of existing baselines that are based on inferring latent variables, yet which (a) are potentially correlated with the sensitive attributes and thus lead to bias, and (b) have weak capability in constructing latent representations and thus low prediction performance. Across various experiments, our method achieves state-of-the-art performance. Using a real-world case study from recidivism prediction, we further demonstrate that our method makes meaningful predictions in practice.

We consider contextual bandit problems with knapsacks [CBwK], a problem where at each round, a scalar reward is obtained and vector-valued costs are suffered. The learner aims to maximize the cumulative rewards while ensuring that the cumulative costs are lower than some predetermined cost constraints. We assume that contexts come from a continuous set, that costs can be signed, and that the expected reward and cost functions, while unknown, may be uniformly estimated -- a typical assumption in the literature. In this setting, total cost constraints had so far to be at least of order $T^{3/4}$, where $T$ is the number of rounds, and were even typically assumed to depend linearly on $T$. We are however motivated to use CBwK to impose a fairness constraint of equalized average costs between groups: the budget associated with the corresponding cost constraints should be as close as possible to the natural deviations, of order $\sqrt{T}$. To that end, we introduce a dual strategy based on projected-gradient-descent updates, that is able to deal with total-cost constraints of the order of $\sqrt{T}$ up to poly-logarithmic terms. This strategy is more direct and simpler than existing strategies in the literature. It relies on a careful, adaptive, tuning of the step size.