We use the PAC-Bayesian theory for the setting of learning-to-optimize. To the best of our knowledge, we present the first framework to learn optimization algorithms with provable generalization guarantees (PAC-Bayesian bounds) and explicit trade-off between convergence guarantees and convergence speed, which contrasts with the typical worst-case analysis. Our learned optimization algorithms provably outperform related ones derived from a (deterministic) worst-case analysis. The results rely on PAC-Bayesian bounds for general, possibly unbounded loss-functions based on exponential families. Then, we reformulate the learning procedure into a one-dimensional minimization problem and study the possibility to find a global minimum. Furthermore, we provide a concrete algorithmic realization of the framework and new methodologies for learning-to-optimize, and we conduct four practically relevant experiments to support our theory. With this, we showcase that the provided learning framework yields optimization algorithms that provably outperform the state-of-the-art by orders of magnitude.

Counterfactual learning to rank (CLTR) has attracted extensive attention in the IR community for its ability to leverage massive logged user interaction data to train ranking models. While the CLTR models can be theoretically unbiased when the user behavior assumption is correct and the propensity estimation is accurate, their effectiveness is usually empirically evaluated via simulation-based experiments due to a lack of widely-available, large-scale, real click logs. However, the mainstream simulation-based experiments are somewhat limited as they often feature a single, deterministic production ranker and simplified user simulation models to generate the synthetic click logs. As a result, the robustness of CLTR models in complex and diverse situations is largely unknown and needs further investigation. To address this problem, in this paper, we aim to investigate the robustness of existing CLTR models in a reproducibility study with extensive simulation-based experiments that (1) use both deterministic and stochastic production rankers, each with different ranking performance, and (2) leverage multiple user simulation models with different user behavior assumptions. We find that the DLA models and IPS-DCM show better robustness under various simulation settings than IPS-PBM and PRS with offline propensity estimation. Besides, the existing CLTR models often fail to outperform the naive click baselines when the production ranker has relatively high ranking performance or certain randomness, which suggests an urgent need for developing new CLTR algorithms that work for these settings.

In the realm of medical imaging, inverse problems aim to infer high-quality images from incomplete, noisy measurements, with the objective of minimizing expenses and risks to patients in clinical settings. The Diffusion Models have recently emerged as a promising approach to such practical challenges, proving particularly useful for the zero-shot inference of images from partially acquired measurements in Magnetic Resonance Imaging (MRI) and Computed Tomography (CT). A central challenge in this approach, however, is how to guide an unconditional prediction to conform to the measurement information. Existing methods rely on deficient projection or inefficient posterior score approximation guidance, which often leads to suboptimal performance. In this paper, we propose \underline{\textbf{B}}i-level \underline{G}uided \underline{D}iffusion \underline{M}odels ({BGDM}), a zero-shot imaging framework that efficiently steers the initial unconditional prediction through a \emph{bi-level} guidance strategy. Specifically, BGDM first approximates an \emph{inner-level} conditional posterior mean as an initial measurement-consistent reference point and then solves an \emph{outer-level} proximal optimization objective to reinforce the measurement consistency. Our experimental findings, using publicly available MRI and CT medical datasets, reveal that BGDM is more effective and efficient compared to the baselines, faithfully generating high-fidelity medical images and substantially reducing hallucinatory artifacts in cases of severe degradation.

Computerized Adaptive Testing (CAT) provides an efficient and tailored method for assessing the proficiency of examinees, by dynamically adjusting test questions based on their performance. Widely adopted across diverse fields like education, healthcare, sports, and sociology, CAT has revolutionized testing practices. While traditional methods rely on psychometrics and statistics, the increasing complexity of large-scale testing has spurred the integration of machine learning techniques. This paper aims to provide a machine learning-focused survey on CAT, presenting a fresh perspective on this adaptive testing method. By examining the test question selection algorithm at the heart of CAT's adaptivity, we shed light on its functionality. Furthermore, we delve into cognitive diagnosis models, question bank construction, and test control within CAT, exploring how machine learning can optimize these components. Through an analysis of current methods, strengths, limitations, and challenges, we strive to develop robust, fair, and efficient CAT systems. By bridging psychometric-driven CAT research with machine learning, this survey advocates for a more inclusive and interdisciplinary approach to the future of adaptive testing.

Convergence analysis of Markov chain Monte Carlo methods in high-dimensional statistical applications is increasingly recognized. In this paper, we develop general mixing time bounds for Metropolis-Hastings algorithms on discrete spaces by building upon and refining some recent theoretical advancements in Bayesian model selection problems. We establish sufficient conditions for a class of informed Metropolis-Hastings algorithms to attain relaxation times that are independent of the problem dimension. These conditions are grounded in high-dimensional statistical theory and allow for possibly multimodal posterior distributions. We obtain our results through two independent techniques: the multicommodity flow method and single-element drift condition analysis; we find that the latter yields a tighter mixing time bound. Our results and proof techniques are readily applicable to a broad spectrum of statistical problems with discrete parameter spaces.

Federated learning (FL) is an approach to training machine learning models that takes advantage of multiple distributed datasets while maintaining data privacy and reducing communication costs associated with sharing local datasets. Aggregation strategies have been developed to pool or fuse the weights and biases of distributed deterministic models; however, modern deterministic deep learning (DL) models are often poorly calibrated and lack the ability to communicate a measure of epistemic uncertainty in prediction, which is desirable for remote sensing platforms and safety-critical applications. Conversely, Bayesian DL models are often well calibrated and capable of quantifying and communicating a measure of epistemic uncertainty along with a competitive prediction accuracy. Unfortunately, because the weights and biases in Bayesian DL models are defined by a probability distribution, simple application of the aggregation methods associated with FL schemes for deterministic models is either impossible or results in sub-optimal performance. In this work, we use independent and identically distributed (IID) and non-IID partitions of the CIFAR-10 dataset and a fully variational ResNet-20 architecture to analyze six different aggregation strategies for Bayesian DL models. Additionally, we analyze the traditional federated averaging approach applied to an approximate Bayesian Monte Carlo dropout model as a lightweight alternative to more complex variational inference methods in FL. We show that aggregation strategy is a key hyperparameter in the design of a Bayesian FL system with downstream effects on accuracy, calibration, uncertainty quantification, training stability, and client compute requirements.

Gaussian process (GP) regression is a non-parametric, Bayesian framework to approximate complex models. Standard GP regression can lead to an unbounded model in which some points can take infeasible values. We introduce a new GP method that enforces the physical constraints in a probabilistic manner. This GP model is trained by the quantum-inspired Hamiltonian Monte Carlo (QHMC). QHMC is an efficient way to sample from a broad class of distributions. Unlike the standard Hamiltonian Monte Carlo algorithm in which a particle has a fixed mass, QHMC allows a particle to have a random mass matrix with a probability distribution. Introducing the QHMC method to the inequality and monotonicity constrained GP regression in the probabilistic sense, our approach improves the accuracy and reduces the variance in the resulting GP model. According to our experiments on several datasets, the proposed approach serves as an efficient method as it accelerates the sampling process while maintaining the accuracy, and it is applicable to high dimensional problems.

The notion of inference on function spaces is essential to the physical sciences and engineering, where the governing equations are frequently partial differential equations (PDEs) describing the evolution of functions in space and time. In particular, it is often desirable to infer the values of a function everywhere in a physical domain given a sparse number of observation points. There are numerous types of problems in which functional regression plays an important role, such as inverse problems, time series forecasting, data imputation/assimilation. Functional regression problems can be particularly challenging for real world datasets because the underlying stochastic process is often unknown. Much of the work on functional regression and inference has relied on Gaussian processes (GPs) (Rasmussen and Williams, 2006), a specific type of stochastic process in which any finite collection of points has a multivariate Gaussian distribution. Some of the earliest applications focused on analyzing geological data, such as the locations of valuable ore deposits, to identify where new deposits might be found (Chiles and Delfiner, 2012). GP regression (GPR) provides several advantages for functional inference including robustness and mathematical tractability for various problems. This has led to the use of GPR in an assortment of scientific and engineering fields, where precision and reliability in predictions and inferences can significantly impact outcomes (Deringer et al., 2021; Aigrain and Foreman-Mackey, 2023). Despite widespread adoption, the assumption of a GP prior for functional inference problems can be rather limiting, particularly in scenarios where the data exhibit heavy-tailed or multimodal distributions, e.g.

This work aims to capture the effect and benefits of depth for supervised learning via information-theoretic generalization bounds. We first derive two hierarchical bounds on the generalization error in terms of the Kullback-Leibler (KL) divergence or the 1-Wasserstein distance between the train and test distributions of the network internal representations. The KL divergence bound shrinks as the layer index increases, while the Wasserstein bound implies the existence of a layer that serves as a generalization funnel, which attains a minimal 1-Wasserstein distance. Analytic expressions for both bounds are derived under the setting of binary Gaussian classification with linear DNNs. To quantify the contraction of the relevant information measures when moving deeper into the network, we analyze the strong data processing inequality (SDPI) coefficient between consecutive layers of three regularized DNN models: Dropout, DropConnect, and Gaussian noise injection. This enables refining our generalization bounds to capture the contraction as a function of the network architecture parameters. Specializing our results to DNNs with a finite parameter space and the Gibbs algorithm reveals that deeper yet narrower network architectures generalize better in those examples, although how broadly this statement applies remains a question.

The Rational Speech Act (RSA) model provides a flexible framework to model pragmatic reasoning in computational terms. However, state-of-the-art RSA models are still fairly distant from modern machine learning techniques and present a number of limitations related to their interpretability and scalability. Here, we introduce a new RSA framework for metaphor understanding that addresses these limitations by providing an explicit formula - based on the mutually shared information between the speaker and the listener - for the estimation of the communicative goal and by learning the rationality parameter using gradient-based methods. The model was tested against 24 metaphors, not limited to the conventional $\textit{John-is-a-shark}$ type. Results suggest an overall strong positive correlation between the distributions generated by the model and the interpretations obtained from the human behavioral data, which increased when the intended meaning capitalized on properties that were inherent to the vehicle concept. Overall, findings suggest that metaphor processing is well captured by a typicality-based Bayesian model, even when more scalable and interpretable, opening up possible applications to other pragmatic phenomena and novel uses for increasing Large Language Models interpretability. Yet, results highlight that the more creative nuances of metaphorical meaning, not strictly encoded in the lexical concepts, are a challenging aspect for machines.