The expected loss is an upper bound to the model generalization error which admits robust PAC-Bayes bounds for learning. However, loss minimization is known to ignore misspecification, where models cannot exactly reproduce observations. This leads to significant underestimates of parameter uncertainties in the large data, or underparameterized, limit. We analyze the generalization error of near-deterministic, misspecified and underparametrized surrogate models, a regime of broad relevance in science and engineering. We show posterior distributions must cover every training point to avoid a divergent generalization error and derive an ensemble {ansatz} that respects this constraint, which for linear models incurs minimal overhead. The efficient approach is demonstrated on model problems before application to high dimensional datasets in atomistic machine learning. Parameter uncertainties from misspecification survive in the underparametrized limit, giving accurate prediction and bounding of test errors.

Bayesian optimisation requires fitting a Gaussian process model, which in turn requires specifying hyperparameters - most of the theoretical literature assumes those hyperparameters are known. The commonly used maximum likelihood estimator for hyperparameters of the Gaussian process is consistent only if the data fills the space uniformly, which does not have to be the case in Bayesian optimisation. Since no guarantees exist regarding the correctness of hyperparameter estimation, and those hyperparameters can significantly affect the Gaussian process fit, theoretical analysis of Bayesian optimisation with unknown hyperparameters is very challenging. Previously proposed algorithms with the no-regret property were only able to handle the special case of unknown lengthscales, reproducing kernel Hilbert space norm and applied only to the frequentist case. We propose a novel algorithm, HE-GP-UCB, which is the first algorithm enjoying the no-regret property in the case of unknown hyperparameters of arbitrary form, and which supports both Bayesian and frequentist settings. Our proof idea is novel and can easily be extended to other variants of Bayesian optimisation. We show this by extending our algorithm to the adversarially robust optimisation setting under unknown hyperparameters. Finally, we empirically evaluate our algorithm on a set of toy problems and show that it can outperform the maximum likelihood estimator.

A major challenge in sample-based inference (SBI) for Bayesian neural networks is the size and structure of the networks' parameter space. Our work shows that successful SBI is possible by embracing the characteristic relationship between weight and function space, uncovering a systematic link between overparameterization and the difficulty of the sampling problem. Through extensive experiments, we establish practical guidelines for sampling and convergence diagnosis. As a result, we present a Bayesian deep ensemble approach as an effective solution with competitive performance and uncertainty quantification.

In practical statistical causal discovery (SCD), embedding domain expert knowledge as constraints into the algorithm is widely accepted as significant for creating consistent meaningful causal models, despite the recognized challenges in systematic acquisition of the background knowledge. To overcome these challenges, this paper proposes a novel methodology for causal inference, in which SCD methods and knowledge based causal inference (KBCI) with a large language model (LLM) are synthesized through "statistical causal prompting (SCP)" for LLMs and prior knowledge augmentation for SCD. Experiments have revealed that GPT-4 can cause the output of the LLM-KBCI and the SCD result with prior knowledge from LLM-KBCI to approach the ground truth, and that the SCD result can be further improved, if GPT-4 undergoes SCP. Furthermore, it has been clarified that an LLM can improve SCD with its background knowledge, even if the LLM does not contain information on the dataset. The proposed approach can thus address challenges such as dataset biases and limitations, illustrating the potential of LLMs to improve data-driven causal inference across diverse scientific domains.

Distributed learning is an effective approach to accelerate model training using multiple workers. However, substantial communication delays emerge between workers and a parameter server due to massive costs associated with communicating gradients. SignSGD with majority voting (signSGD-MV) is a simple yet effective optimizer that reduces communication costs through one-bit quantization, yet the convergence rates considerably decrease as adversarial workers increase. In this paper, we show that the convergence rate is invariant as the number of adversarial workers increases, provided that the number of adversarial workers is smaller than that of benign workers. The key idea showing this counter-intuitive result is our novel signSGD with federated defense (signSGD-FD). Unlike the traditional approaches, signSGD-FD exploits the gradient information sent by adversarial workers with the proper weights, which are obtained through gradient sign decoding. Experimental results demonstrate signSGD-FD achieves superior convergence rates over traditional algorithms in various adversarial attack scenarios.

Prior research on AI-assisted human decision-making has explored several different explainable AI (XAI) approaches. A recent paper has proposed a paradigm shift calling for hypothesis-driven XAI through a conceptual framework called evaluative AI that gives people evidence that supports or refutes hypotheses without necessarily giving a decision-aid recommendation. In this paper we describe and evaluate an approach for hypothesis-driven XAI based on the Weight of Evidence (WoE) framework, which generates both positive and negative evidence for a given hypothesis. Through human behavioural experiments, we show that our hypothesis-driven approach increases decision accuracy, reduces reliance compared to a recommendation-driven approach and an AI-explanation-only baseline, but with a small increase in under-reliance compared to the recommendation-driven approach. Further, we show that participants used our hypothesis-driven approach in a materially different way to the two baselines.

The World Wide Web's connectivity is greatly attributed to the HTTP protocol, with HTTP messages offering informative header fields that appeal to disciplines like web security and privacy, especially concerning web tracking. Despite existing research employing HTTP/S request messages to identify web trackers, HTTP/S response headers are often overlooked. This study endeavors to design effective machine learning classifiers for web tracker detection using HTTP/S response headers. Data from the Chrome, Firefox, and Brave browsers, obtained through the traffic monitoring browser extension T.EX, serves as our data set. Eleven supervised models were trained on Chrome data and tested across all browsers. The results demonstrated high accuracy, F1-score, precision, recall, and minimal log-loss error for Chrome and Firefox, but subpar performance on Brave, potentially due to its distinct data distribution and feature set. The research suggests that these classifiers are viable for detecting web trackers in Chrome and Firefox. However, real-world application testing remains pending, and the distinction between tracker types and broader label sources could be explored in future studies.

Activity detection is an important task in the next generation grant-free multiple access. While there are a number of existing algorithms designed for this purpose, they mostly require precise information about the network, such as large-scale fading coefficients, small-scale fading channel statistics, noise variance at the access points, and user activity probability. Acquiring these information would take a significant overhead and their estimated values might not be accurate. This problem is even more severe in cell-free networks as there are many of these parameters to be acquired. Therefore, this paper sets out to investigate the activity detection problem without the above-mentioned information. In order to handle so many unknown parameters, this paper employs the Bayesian approach, where the unknown variables are endowed with prior distributions which effectively act as regularizations. Together with the likelihood function, a maximum a posteriori (MAP) estimator and a variational inference algorithm are derived. Extensive simulations demonstrate that the proposed methods, even without the knowledge of these system parameters, perform better than existing state-of-the-art methods, such as covariance-based and approximate message passing methods.

Uncertainty estimation is increasingly attractive for improving the reliability of neural networks. In this work, we present novel credal-set interval neural networks (CreINNs) designed for classification tasks. CreINNs preserve the traditional interval neural network structure, capturing weight uncertainty through deterministic intervals, while forecasting credal sets using the mathematical framework of probability intervals. Experimental validations on an out-of-distribution detection benchmark (CIFAR10 vs SVHN) showcase that CreINNs outperform epistemic uncertainty estimation when compared to variational Bayesian neural networks (BNNs) and deep ensembles (DEs). Furthermore, CreINNs exhibit a notable reduction in computational complexity compared to variational BNNs and demonstrate smaller model sizes than DEs.

Traditionally, graph neural networks have been trained using a single observed graph. However, the observed graph represents only one possible realization. In many applications, the graph may encounter uncertainties, such as having erroneous or missing edges, as well as edge weights that provide little informative value. To address these challenges and capture additional information previously absent in the observed graph, we introduce latent variables to parameterize and generate multiple graphs. We obtain the maximum likelihood estimate of the network parameters in an Expectation-Maximization (EM) framework based on the multiple graphs. Specifically, we iteratively determine the distribution of the graphs using a Markov Chain Monte Carlo (MCMC) method, incorporating the principles of PAC-Bayesian theory. Numerical experiments demonstrate improvements in performance against baseline models on node classification for heterogeneous graphs and graph regression on chemistry datasets.