Maximum Likelihood and the method of Least Squares are fundamental procedures in statistics. The study of asymptotic consistency of Maximum Likelihood has been central to the field for almost a century (Wald, 1949). Along with consistency, failures of Maximum Likelihood have been thoroughly investigated for nearly as long (Neyman and Scott, 1948; Bahadur, 1958; Ferguson, 1982). In the context of estimation of nonparametric models, the seminal work of (Birgé and Massart, 1993) provided sufficient conditions for minimax optimality (in a non-asymptotic sense) of Least Squares while also presenting an example of a model class where this basic procedure is sub-optimal. Three decades later, we still do not have necessary and sufficient conditions for minimax optimality of Least Squares when the model class is large. While the present paper does not resolve this question, it makes several steps towards understanding the behavior of Least Squares -- equivalently, Empirical Risk Minimization (ERM) with square loss -- in large models. Beyond intellectual curiosity, the question of minimax optimality of Least Squares is driven by the desire to understand the current practice of fitting large or overparametrized models, such as neural networks, to data (cf.

Digital technologies have dramatically accelerated the digital transformation in process industries, boosted new industrial applications, upgraded the production system, and enhanced operational efficiency. In contrast, the challenges and gaps between human and artificial intelligence (AI) have become more and more prominent, whereas the digital divide in process safety is aggregating. The study attempts to address the following questions: (i)What is AI in the process safety context? (ii)What is the difference between AI and humans in process safety? (iii)How do AI and humans collaborate in process safety? (iv)What are the challenges and gaps in human-AI collaboration? (v)How to quantify the risk of human-AI collaboration in process safety? Qualitative risk analysis based on brainstorming and literature review, and quantitative risk analysis based on layer of protection analysis (LOPA) and Bayesian network (BN), were applied to explore and model. The importance of human reliability should be stressed in the digital age, not usually to increase the reliability of AI, and human-centered AI design in process safety needs to be propagated.

The accurate prediction of the two-phase heat transfer coefficient (HTC) as a function of working fluids, channel geometries and process conditions is key to the optimal design and operation of compact heat exchangers. Advances in artificial intelligence research have recently boosted the application of machine learning (ML) algorithms to obtain data-driven surrogate models for the HTC. For most supervised learning algorithms, the task is that of a nonlinear regression problem. Despite the fact that these models have been proven capable of outperforming traditional empirical correlations, they have key limitations such as overfitting the data, the lack of uncertainty estimation, and interpretability of the results. To address these limitations, in this paper, we use a multi-output Gaussian process regression (GPR) to estimate the HTC in microchannels as a function of the mass flow rate, heat flux, system pressure and channel diameter and length. The model is trained using the Brunel Two-Phase Flow database of high-fidelity experimental data. The advantages of GPR are data efficiency, the small number of hyperparameters to be trained (typically of the same order of the number of input dimensions), and the automatic trade-off between data fit and model complexity guaranteed by the maximization of the marginal likelihood (Bayesian approach). Our paper proposes research directions to improve the performance of the GPR-based model in extrapolation.

Offline inverse reinforcement learning (Offline IRL) aims to recover the structure of rewards and environment dynamics that underlie observed actions in a fixed, finite set of demonstrations from an expert agent. Accurate models of expertise in executing a task has applications in safety-sensitive applications such as clinical decision making and autonomous driving. However, the structure of an expert's preferences implicit in observed actions is closely linked to the expert's model of the environment dynamics (i.e. the ``world''). Thus, inaccurate models of the world obtained from finite data with limited coverage could compound inaccuracy in estimated rewards. To address this issue, we propose a bi-level optimization formulation of the estimation task wherein the upper level is likelihood maximization based upon a conservative model of the expert's policy (lower level). The policy model is conservative in that it maximizes reward subject to a penalty that is increasing in the uncertainty of the estimated model of the world. We propose a new algorithmic framework to solve the bi-level optimization problem formulation and provide statistical and computational guarantees of performance for the associated reward estimator. Finally, we demonstrate that the proposed algorithm outperforms the state-of-the-art offline IRL and imitation learning benchmarks by a large margin, over the continuous control tasks in MuJoCo and different datasets in the D4RL benchmark.

Conventional Gaussian process regression exclusively assumes the existence of noise in the output data of model observations. In many scientific and engineering applications, however, the input locations of observational data may also be compromised with uncertainties owing to modeling assumptions, measurement errors, etc. In this work, we propose a Bayesian method that integrates the variability of input data into Gaussian process regression. Considering two types of observables -- noise-corrupted outputs with fixed inputs and those with prior-distribution-defined uncertain inputs, a posterior distribution is estimated via a Bayesian framework to infer the uncertain data locations. Thereafter, such quantified uncertainties of inputs are incorporated into Gaussian process predictions by means of marginalization. The effectiveness of this new regression technique is demonstrated through several numerical examples, in which a consistently good performance of generalization is observed, while a substantial reduction in the predictive uncertainties is achieved by the Bayesian inference of uncertain inputs.

Many event sequence data exhibit mutually exciting or inhibiting patterns. Reliable detection of such temporal dependency is crucial for scientific investigation. The de facto model is the Multivariate Hawkes Process (MHP), whose impact function naturally encodes a causal structure in Granger causality. However, the vast majority of existing methods use direct or nonlinear transform of standard MHP intensity with constant baseline, inconsistent with real-world data. Under irregular and unknown heterogeneous intensity, capturing temporal dependency is hard as one struggles to distinguish the effect of mutual interaction from that of intensity fluctuation. In this paper, we address the short-term temporal dependency detection issue. We show the maximum likelihood estimation (MLE) for cross-impact from MHP has an error that can not be eliminated but may be reduced by order of magnitude, using heterogeneous intensity not of the target HP but of the interacting HP. Then we proposed a robust and computationally-efficient method modified from MLE that does not rely on the prior estimation of the heterogeneous intensity and is thus applicable in a data-limited regime (e.g., few-shot, no repeated observations). Extensive experiments on various datasets show that our method outperforms existing ones by notable margins, with highlighted novel applications in neuroscience.

In this work, we introduce a novel framework which combines physics and machine learning methods to analyse acoustic signals. Three methods are developed for this task: a Bayesian inference approach for inferring the spectral acoustics characteristics, a neural-physical model which equips a neural network with forward and backward physical losses, and the non-linear least squares approach which serves as benchmark. The inferred propagation coefficient leads to the room impulse response (RIR) quantity which can be used for relocalisation with uncertainty. The simplicity and efficiency of this framework is empirically validated on simulated data.

In domains with high stakes such as law, recruitment, and healthcare, learning models frequently rely on sensitive user data for inference, necessitating the complete set of features. This not only poses significant privacy risks for individuals but also demands substantial human effort from organizations to verify information accuracy. This paper asks whether it is necessary to use \emph{all} input features for accurate predictions at inference time. The paper demonstrates that, in a personalized setting, individuals may only need to disclose a small subset of their features without compromising decision-making accuracy. The paper also provides an efficient sequential algorithm to determine the appropriate attributes for each individual to provide. Evaluations across various learning tasks show that individuals can potentially report as little as 10\% of their information while maintaining the same accuracy level as a model that employs the full set of user information.

This work proposes a view of probability as a relative measure rather than an absolute one. To demonstrate this concept, we focus on finite outcome spaces and develop three fundamental axioms that establish requirements for relative probability functions. We then provide a library of examples of these functions and a system for composing them. Additionally, we discuss a relative version of Bayesian inference and its digital implementation. Finally, we prove the topological closure of the relative probability space, highlighting its ability to preserve information under limits.

Advances in neuroscience have enabled researchers to measure the activities of large numbers of neurons simultaneously in behaving animals. We have access to the fluorescence of each of the neurons which provides a first-order approximation of the neural activity over time. Determining the exact spike of a neuron from this fluorescence trace constitutes an active area of research within the field of computational neuroscience. We propose a novel Bayesian approach based on a mixture of half-non-local prior densities and point masses for this task. Instead of a computationally expensive MCMC algorithm, we adopt a stochastic search-based approach that is capable of taking advantage of modern computing environments often equipped with multiple processors, to explore all possible arrangements of spikes and lack thereof in an observed spike train. It then reports the highest posterior probability arrangement of spikes and posterior probability for a spike at each location of the spike train. Our proposals lead to substantial improvements over existing proposals based on L1 regularization, and enjoy comparable estimation accuracy to the state-of-the-art L0 proposal, in simulations, and on recent calcium imaging data sets. Notably, contrary to optimization-based frequentist approaches, our methodology yields automatic uncertainty quantification associated with the spike-train inference.