A critical bottleneck for scientific progress is the costly nature of computer simulations for complex systems. Surrogate models provide an appealing solution: such models are trained on simulator evaluations, then used to emulate and quantify uncertainty on the expensive simulator at unexplored inputs. In many applications, one often has available data on related systems. For example, in designing a new jet turbine, there may be existing studies on turbines with similar configurations. A key question is how information from such "source" systems can be transferred for effective surrogate training on the "target" system of interest. We thus propose a new LOcal transfer Learning Gaussian Process (LOL-GP) model, which leverages a carefully-designed Gaussian process to transfer such information for surrogate modeling. The key novelty of the LOL-GP is a latent regularization model, which identifies regions where transfer should be performed and regions where it should be avoided. This "local transfer" property is desirable in scientific systems: at certain parameters, such systems may behave similarly and thus transfer is beneficial; at other parameters, they may behave differently and thus transfer is detrimental. By accounting for local transfer, the LOL-GP can rectify a critical limitation of "negative transfer" in existing transfer learning models, where the transfer of information worsens predictive performance. We derive a Gibbs sampling algorithm for efficient posterior predictive sampling on the LOL-GP, for both the multi-source and multi-fidelity transfer settings. We then show, via a suite of numerical experiments and an application for jet turbine design, the improved surrogate performance of the LOL-GP over existing methods.

The primary aim of this paper is to comprehend, assess, and analyze the role, relevance, and efficiency of machine learning models in predicting heart disease risks using clinical data. While the importance of heart disease risk prediction cannot be overstated, the application of machine learning (ML) in identifying and evaluating the impact of various features on the classification of patients with and without heart disease, as well as in generating a reliable clinical dataset, is equally significant. This study relies primarily on cross-sectional clinical data. The ML approach is designed to enhance the consideration of various clinical features in the heart disease prognosis process. Some features emerge as strong predictors, adding significant value. The paper evaluates seven ML classifiers: Logistic Regression, Random Forest, Decision Tree, Naive Bayes, k-Nearest Neighbors, Neural Networks, and Support Vector Machine (SVM). The performance of each model is assessed based on accuracy metrics. Notably, the Support Vector Machine (SVM) demonstrates the highest accuracy at 91.51%, confirming its superiority among the evaluated models in terms of predictive capability. The overall findings of this research highlight the advantages of advanced computational methodologies in the evaluation, prediction, improvement, and management of cardiovascular risks. In other words, the strong performance of the SVM model illustrates its applicability and value in clinical settings, paving the way for further advancements in personalized medicine and healthcare.

We present a novel Bayesian tomography approach for Coherence Imaging Spectroscopy (CIS) that simultaneously reconstructs ion temperature and velocity distributions in plasmas. Utilizing nonlinear Gaussian Process Tomography (GPT) with the Laplace approximation, we model prior distributions of log-emissivity, temperature, and velocity as Gaussian processes. This framework rigorously incorporates nonlinear effects and temperature dependencies often neglected in conventional CIS tomography, enabling robust reconstruction even in the region of high temperature and velocity. By applying a log-Gaussian process, we also address issues like velocity divergence in low-emissivity regions. Validated with phantom simulations and experimental data from the RT-1 device, our method reveals detailed spatial structures of ion temperature and toroidal ion flow characteristic of magnetospheric plasma. This work significantly broadens the scope of CIS tomography, offering a robust tool for plasma diagnostics and facilitating integration with complementary measurement techniques.

Maps of dynamics are effective representations of motion patterns learned from prior observations, with recent research demonstrating their ability to enhance performance in various downstream tasks such as human-aware robot navigation, long-term human motion prediction, and robot localization. Current advancements have primarily concentrated on methods for learning maps of human flow in environments where the flow is static, i.e., not assumed to change over time. In this paper we propose a method to update the CLiFF-map, one type of map of dynamics, for achieving efficient life-long robot operation. As new observations are collected, our goal is to update a CLiFF-map to effectively and accurately integrate new observations, while retaining relevant historic motion patterns. The proposed online update method maintains a probabilistic representation in each observed location, updating parameters by continuously tracking sufficient statistics. In experiments using both synthetic and real-world datasets, we show that our method is able to maintain accurate representations of human motion dynamics, contributing to high performance flow-compliant planning downstream tasks, while being orders of magnitude faster than the comparable baselines.

The burgeoning field of Natural Language Processing (NLP) stands at a critical juncture where the integration of fairness within its frameworks has become an imperative. This PhD thesis addresses the need for equity and transparency in NLP systems, recognizing that fairness in NLP is not merely a technical challenge but a moral and ethical necessity, requiring a rigorous examination of how these technologies interact with and impact diverse human populations. Through this lens, this thesis undertakes a thorough investigation into the development of equitable NLP methodologies and the evaluation of biases that prevail in current systems. First, it introduces an innovative algorithm to mitigate biases in multi-class classifiers, tailored for high-risk NLP applications, surpassing traditional methods in both bias mitigation and prediction accuracy. Then, an analysis of the Bios dataset reveals the impact of dataset size on discriminatory biases and the limitations of standard fairness metrics. This awareness has led to explorations in the field of explainable AI, aiming for a more complete understanding of biases where traditional metrics are limited. Consequently, the thesis presents COCKATIEL, a model-agnostic explainability method that identifies and ranks concepts in Transformer models, outperforming previous approaches in sentiment analysis tasks. Finally, the thesis contributes to bridging the gap between fairness and explainability by introducing TaCo, a novel method to neutralize bias in Transformer model embeddings. In conclusion, this thesis constitutes a significant interdisciplinary endeavor that intertwines explicability and fairness to challenge and reshape current NLP paradigms. The methodologies and critiques presented contribute to the ongoing discourse on fairness in machine learning, offering actionable solutions for more equitable and responsible AI systems.

Previous studies on two-timescale stochastic approximation (SA) mainly focused on bounding mean-squared errors under diminishing stepsize schemes. In this work, we investigate {\it constant} stpesize schemes through the lens of Markov processes, proving that the iterates of both timescales converge to a unique joint stationary distribution in Wasserstein metric. We derive explicit geometric and non-asymptotic convergence rates, as well as the variance and bias introduced by constant stepsizes in the presence of Markovian noise. Specifically, with two constant stepsizes $\alpha < \beta$, we show that the biases scale linearly with both stepsizes as $\Theta(\alpha)+\Theta(\beta)$ up to higher-order terms, while the variance of the slower iterate (resp., faster iterate) scales only with its own stepsize as $O(\alpha)$ (resp., $O(\beta)$). Unlike previous work, our results require no additional assumptions such as $\beta^2 \ll \alpha$ nor extra dependence on dimensions. These fine-grained characterizations allow tail-averaging and extrapolation techniques to reduce variance and bias, improving mean-squared error bound to $O(\beta^4 + \frac{1}{t})$ for both iterates.

Contemporary machine learning methods will try to approach the Bayes error, as it is the lowest possible error any model can achieve. This paper postulates that any decision is composed of not one but two Bayesian decisions and that decision-making is, therefore, a double-Bayesian process. The paper shows how this duality implies intrinsic uncertainty in decisions and how it incorporates explainability. The proposed approach understands that Bayesian learning is tantamount to finding a base for a logarithmic function measuring uncertainty, with solutions being fixed points. Furthermore, following this approach, the golden ratio describes possible solutions satisfying Bayes' theorem. The double-Bayesian framework suggests using a learning rate and momentum weight with values similar to those used in the literature to train neural networks with stochastic gradient descent.

Motivated by information geometry, a distance function on the space of stochastic matrices is advocated. Starting with sequences of Markov chains the Bhattacharyya angle is advocated as the natural tool for comparing both short and long term Markov chain runs. Bounds on the convergence of the distance and mixing times are derived. Guided by the desire to compare different Markov chain models, especially in the setting of healthcare processes, a new distance function on the space of stochastic matrices is presented. It is a true distance measure which has a closed form and is efficient to implement for numerical evaluation. In the case of ergodic Markov chains, it is shown that considering either the Bhattacharyya angle on Markov sequences or the new stochastic matrix distance leads to the same distance between models.

We address the challenge of explaining counterfactual outcomes in multi-agent Markov decision processes. In particular, we aim to explain the total counterfactual effect of an agent's action on the outcome of a realized scenario through its influence on the environment dynamics and the agents' behavior. To achieve this, we introduce a novel causal explanation formula that decomposes the counterfactual effect by attributing to each agent and state variable a score reflecting their respective contributions to the effect. First, we show that the total counterfactual effect of an agent's action can be decomposed into two components: one measuring the effect that propagates through all subsequent agents' actions and another related to the effect that propagates through the state transitions. Building on recent advancements in causal contribution analysis, we further decompose these two effects as follows. For the former, we consider agent-specific effects - a causal concept that quantifies the counterfactual effect of an agent's action that propagates through a subset of agents. Based on this notion, we use Shapley value to attribute the effect to individual agents. For the latter, we consider the concept of structure-preserving interventions and attribute the effect to state variables based on their "intrinsic" contributions. Through extensive experimentation, we demonstrate the interpretability of our decomposition approach in a Gridworld environment with LLM-assisted agents and a sepsis management simulator. Applying counterfactual reasoning to retrospectively analyze the impact of different actions in decision making scenarios is fundamental for accountability. To achieve such objectives, many studies often rely on the notion of total counterfactual effects, which quantifies the extent to which an alternative action would have affected the outcome of a realized scenario. In multi-agent sequential decision making, an agent's action typically affects the outcome indirectly. To illustrate this, consider the problem of AI-assisted decision making in healthcare (Lynn, 2019), where a clinician and their AI assistant treat a patient over a period of time.

This paper introduces the Bayesian Confidence Estimator (BACON) for deep neural networks. Current practice of interpreting Softmax values in the output layer as probabilities of outcomes is prone to extreme predictions of class probability. In this work we extend Waagen's method of representing the terminal layers with a geometric model, where the probability associated with an output vector is estimated with Bayes' Rule using validation data to provide likelihood and normalization values. This estimator provides superior ECE and ACE calibration error compared to Softmax for ResNet-18 at 85% network accuracy, and EfficientNet-B0 at 95% network accuracy, on the CIFAR-10 dataset with an imbalanced test set, except for very high accuracy edge cases. In addition, when using the ACE metric, BACON demonstrated improved calibration error when estimating probabilities for the imbalanced test set when using actual class distribution fractions.