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Machine learning (ML) models have been quite successful in predicting outcomes in many applications. However, in some cases, domain experts might have a judgment about the expected outcome that might conflict with the prediction of ML models. One main reason for this is that the training data might not be totally representative of the population. In this paper, we present a novel framework that aims at leveraging experts' judgment to mitigate the conflict. The underlying idea behind our framework is that we first determine, using a generative adversarial network, the degree of representation of an unlabeled data point in the training data. Then, based on such degree, we correct the \textcolor{black}{machine learning} model's prediction by incorporating the experts' judgment into it, where the higher that aforementioned degree of representation, the less the weight we put on the expert intuition that we add to our corrected output, and vice-versa. We perform multiple numerical experiments on synthetic data as well as two real-world case studies (one from the IT services industry and the other from the financial industry). All results show the effectiveness of our framework; it yields much higher closeness to the experts' judgment with minimal sacrifice in the prediction accuracy, when compared to multiple baseline methods. We also develop a new evaluation metric that combines prediction accuracy with the closeness to experts' judgment. Our framework yields statistically significant results when evaluated on that metric.

Various evaluation metrics exist for natural language generation tasks, but they have limited utility for story generation since they generally do not correlate well with human judgments and are not designed to evaluate fine-grained story aspects, such as fluency and relatedness. In this paper, we propose deltascore, an approach that utilizes perturbation to evaluate fine-grained story aspects. Our core idea is based on the hypothesis that the better the story performs in a specific aspect (e.g., fluency), the more it will be affected by a particular perturbation (e.g., introducing typos). To measure the impact, we calculate the likelihood difference between the pre- and post-perturbation stories using large pre-trained language models. We evaluate deltascore against state-of-the-art model-based and traditional similarity-based metrics across two story domains, and investigate its correlation with human judgments on five fine-grained story aspects: fluency, coherence, relatedness, logicality, and interestingness. The findings of our study indicate that the deltascore approach exhibits exceptional performance in evaluating intricate story aspects. An unexpected discovery was made in our experiment, where a single perturbation method was found to effectively capture a majority of these aspects.

Resource-constrained Edge Devices (EDs), e.g., IoT sensors and microcontroller units, are expected to make intelligent decisions using Deep Learning (DL) inference at the edge of the network. Toward this end, there is a significant research effort in developing tinyML models - Deep Learning (DL) models with reduced computation and memory storage requirements - that can be embedded on these devices. However, tinyML models have lower inference accuracy. On a different front, DNN partitioning and inference offloading techniques were studied for distributed DL inference between EDs and Edge Servers (ESs). In this paper, we explore Hierarchical Inference (HI), a novel approach proposed by Vishnu et al. 2023, arXiv:2304.00891v1 , for performing distributed DL inference at the edge. Under HI, for each data sample, an ED first uses a local algorithm (e.g., a tinyML model) for inference. Depending on the application, if the inference provided by the local algorithm is incorrect or further assistance is required from large DL models on edge or cloud, only then the ED offloads the data sample. At the outset, HI seems infeasible as the ED, in general, cannot know if the local inference is sufficient or not. Nevertheless, we present the feasibility of implementing HI for machine fault detection and image classification applications. We demonstrate its benefits using quantitative analysis and argue that using HI will result in low latency, bandwidth savings, and energy savings in edge AI systems.

Practitioners often use data from a randomized controlled trial to learn a treatment assignment policy that can be deployed on a target population. A recurring concern in doing so is that, even if the randomized trial was well-executed (i.e., internal validity holds), the study participants may not represent a random sample of the target population (i.e., external validity fails)--and this may lead to policies that perform suboptimally on the target population. We consider a model where observable attributes can impact sample selection probabilities arbitrarily but the effect of unobservable attributes is bounded by a constant, and we aim to learn policies with the best possible performance guarantees that hold under any sampling bias of this type. In particular, we derive the partial identification result for the worst-case welfare in the presence of sampling bias and show that the optimal max-min, max-min gain, and minimax regret policies depend on both the conditional average treatment effect (CATE) and the conditional value-at-risk (CVaR) of potential outcomes given covariates. To avoid finite-sample inefficiencies of plug-in estimates, we further provide an end-to-end procedure for learning the optimal max-min and max-min gain policies that does not require the separate estimation of nuisance parameters.

Uncertainty quantification in image restoration is a prominent challenge, mainly due to the high dimensionality of the encountered problems. Recently, a Bayesian uncertainty quantification by optimization (BUQO) has been proposed to formulate hypothesis testing as a minimization problem. The objective is to determine whether a structure appearing in a maximum a posteriori estimate is true or is a reconstruction artifact due to the ill-posedness or ill-conditioness of the problem. In this context, the mathematical definition of having a ``fake structure" is crucial, and highly depends on the type of structure of interest. This definition can be interpreted as an inpainting of a neighborhood of the structure, but only simple techniques have been proposed in the literature so far, due to the complexity of the problem. In this work, we propose a data-driven method using a simple convolutional neural network to perform the inpainting task, leading to a novel plug-and-play BUQO algorithm. Compared to previous works, the proposed approach has the advantage that it can be used for a wide class of structures, without needing to adapt the inpainting operator to the area of interest. In addition, we show through simulations on magnetic resonance imaging, that compared to the original BUQO's hand-crafted inpainting procedure, the proposed approach provides greater qualitative output images. Python code will be made available for reproducibility upon acceptance of the article.

Causal discovery and causal reasoning are classically treated as separate and consecutive tasks: one first infers the causal graph, and then uses it to estimate causal effects of interventions. However, such a two-stage approach is uneconomical, especially in terms of actively collected interventional data, since the causal query of interest may not require a fully-specified causal model. From a Bayesian perspective, it is also unnatural, since a causal query (e.g., the causal graph or some causal effect) can be viewed as a latent quantity subject to posterior inference -- other unobserved quantities that are not of direct interest (e.g., the full causal model) ought to be marginalized out in this process and contribute to our epistemic uncertainty. In this work, we propose Active Bayesian Causal Inference (ABCI), a fully-Bayesian active learning framework for integrated causal discovery and reasoning, which jointly infers a posterior over causal models and queries of interest. In our approach to ABCI, we focus on the class of causally-sufficient, nonlinear additive noise models, which we model using Gaussian processes. We sequentially design experiments that are maximally informative about our target causal query, collect the corresponding interventional data, and update our beliefs to choose the next experiment. Through simulations, we demonstrate that our approach is more data-efficient than several baselines that only focus on learning the full causal graph. This allows us to accurately learn downstream causal queries from fewer samples while providing well-calibrated uncertainty estimates for the quantities of interest.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Structural data well exists in Web applications, such as social networks in social media, citation networks in academic websites, and threads data in online forums. Due to the complex topology, it is difficult to process and make use of the rich information within such data. Graph Neural Networks (GNNs) have shown great advantages on learning representations for structural data. However, the non-transparency of the deep learning models makes it non-trivial to explain and interpret the predictions made by GNNs. Meanwhile, it is also a big challenge to evaluate the GNN explanations, since in many cases, the ground-truth explanations are unavailable. In this paper, we take insights of Counterfactual and Factual (CF^2) reasoning from causal inference theory, to solve both the learning and evaluation problems in explainable GNNs. For generating explanations, we propose a model-agnostic framework by formulating an optimization problem based on both of the two casual perspectives. This distinguishes CF^2 from previous explainable GNNs that only consider one of them. Another contribution of the work is the evaluation of GNN explanations. For quantitatively evaluating the generated explanations without the requirement of ground-truth, we design metrics based on Counterfactual and Factual reasoning to evaluate the necessity and sufficiency of the explanations. Experiments show that no matter ground-truth explanations are available or not, CF^2 generates better explanations than previous state-of-the-art methods on real-world datasets. Moreover, the statistic analysis justifies the correlation between the performance on ground-truth evaluation and our proposed metrics.

The Bayesian paradigm has the potential to solve core issues of deep neural networks such as poor calibration and data inefficiency. Alas, scaling Bayesian inference to large weight spaces often requires restrictive approximations. In this work, we show that it suffices to perform inference over a small subset of model weights in order to obtain accurate predictive posteriors. The other weights are kept as point estimates. This subnetwork inference framework enables us to use expressive, otherwise intractable, posterior approximations over such subsets. In particular, we implement subnetwork linearized Laplace: We first obtain a MAP estimate of all weights and then infer a full-covariance Gaussian posterior over a subnetwork. We propose a subnetwork selection strategy that aims to maximally preserve the model's predictive uncertainty. Empirically, our approach is effective compared to ensembles and less expressive posterior approximations over full networks.

Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this achievement, the design and training of neural networks are still challenging and unpredictable procedures. To lower the technical thresholds for common users, automated hyper-parameter optimization (HPO) has become a popular topic in both academic and industrial areas. This paper provides a review of the most essential topics on HPO. The first section introduces the key hyper-parameters related to model training and structure, and discusses their importance and methods to define the value range. Then, the research focuses on major optimization algorithms and their applicability, covering their efficiency and accuracy especially for deep learning networks. This study next reviews major services and toolkits for HPO, comparing their support for state-of-the-art searching algorithms, feasibility with major deep learning frameworks, and extensibility for new modules designed by users. The paper concludes with problems that exist when HPO is applied to deep learning, a comparison between optimization algorithms, and prominent approaches for model evaluation with limited computational resources.