Despite the success of classical traffic flow (e.g., second-order macroscopic) models and data-driven (e.g., Machine Learning - ML) approaches in traffic state estimation, those approaches either require great efforts for parameter calibrations or lack theoretical interpretation. To fill this research gap, this study presents a new modeling framework, named physics regularized Gaussian process (PRGP). This novel approach can encode physics models, i.e., classical traffic flow models, into the Gaussian process architecture and so as to regularize the ML training process. Particularly, this study aims to discuss how to develop a PRGP model when the original physics model is with discrete formulations. Then based on the posterior regularization inference framework, an efficient stochastic optimization algorithm is developed to maximize the evidence lowerbound of the system likelihood. To prove the effectiveness of the proposed model, this paper conducts empirical studies on a real-world dataset that is collected from a stretch of I-15 freeway, Utah. Results show the new PRGP model can outperform the previous compatible methods, such as calibrated physics models and pure machine learning methods, in estimation precision and input robustness.

Latent confounders---unobserved variables that influence both treatment and outcome---can bias estimates of causal effects. In some cases, these confounders are shared across observations, e.g. all students taking a course are influenced by the course's difficulty in addition to any educational interventions they receive individually. This paper shows how to semiparametrically model latent confounders that have this structure and thereby improve estimates of causal effects. The key innovations are a hierarchical Bayesian model, Gaussian processes with structured latent confounders (GP-SLC), and a Monte Carlo inference algorithm for this model based on elliptical slice sampling. GP-SLC provides principled Bayesian uncertainty estimates of individual treatment effect with minimal assumptions about the functional forms relating confounders, covariates, treatment, and outcome. Finally, this paper shows GP-SLC is competitive with or more accurate than widely used causal inference techniques on three benchmark datasets, including the Infant Health and Development Program and a dataset showing the effect of changing temperatures on state-wide energy consumption across New England.

Multinomial probit models are widely-implemented representations which allow both classification and inference by learning changes in vectors of class probabilities with a set of p observed predictors. Although various frequentist methods have been developed for estimation, inference and classification within such a class of models, Bayesian inference is still lagging behind. This is due to the apparent absence of a tractable class of conjugate priors, that may facilitate posterior inference on the multinomial probit coefficients. Such an issue has motivated increasing efforts toward the development of effective Markov chain Monte Carlo methods, but state-of-the-art solutions still face severe computational bottlenecks, especially in large p settings. In this article, we prove that the entire class of unified skew-normal (SUN) distributions is conjugate to a wide variety of multinomial probit models, and we exploit the SUN properties to improve upon state-of-art-solutions for posterior inference and classification both in terms of closed-form results for key functionals of interest, and also by developing novel computational methods relying either on independent and identically distributed samples from the exact posterior or on scalable and accurate variational approximations based on blocked partially-factorized representations. As illustrated in a gastrointestinal lesions application, the magnitude of the improvements relative to current methods is particularly evident, in practice, when the focus is on large p applications.

As machine learning is increasingly used in essential systems, it is important to reduce or eliminate the incidence of serious bugs. A growing body of research has developed machine learning algorithms with formal guarantees about performance, robustness, or fairness. Yet, the analysis of these algorithms is often complex, and implementing such systems in practice introduces room for error. Proof assistants can be used to formally verify machine learning systems by constructing machine checked proofs of correctness that rule out such bugs. However, reasoning about probabilistic claims inside of a proof assistant remains challenging. We show how a probabilistic program can be automatically represented in a theorem prover using the concept of \emph{reparameterization}, and how some of the tedious proofs of measurability can be generated automatically from the probabilistic program. To demonstrate that this approach is broad enough to handle rather different types of machine learning systems, we verify both a classic result from statistical learning theory (PAC-learnability of decision stumps) and prove that the null model used in a Bayesian hypothesis test satisfies a fairness criterion called demographic parity.

Maximum likelihood (ML) and adversarial learning are two popular approaches for training generative models, and from many perspectives these techniques are complementary. ML learning encourages the capture of all data modes, and it is typically characterized by stable training. However, ML learning tends to distribute probability mass diffusely over the data space, $e.g.$, yielding blurry synthetic images. Adversarial learning is well known to synthesize highly realistic natural images, despite practical challenges like mode dropping and delicate training. We propose an $\alpha$-Bridge to unify the advantages of ML and adversarial learning, enabling the smooth transfer from one to the other via the $\alpha$-divergence. We reveal that generalizations of the $\alpha$-Bridge are closely related to approaches developed recently to regularize adversarial learning, providing insights into that prior work, and further understanding of why the $\alpha$-Bridge performs well in practice.

As models of cognition grow in complexity and number of parameters, Bayesian inference with standard methods can become intractable, especially when the data-generating model is of unknown analytic form. Recent advances in simulation-based inference using specialized neural network architectures circumvent many previous problems of approximate Bayesian computation. Moreover, due to the properties of these special neural network estimators, the effort of training the networks via simulations amortizes over subsequent evaluations which can re-use the same network for multiple datasets and across multiple researchers. However, these methods have been largely underutilized in cognitive science and psychology so far, even though they are well suited for tackling a wide variety of modeling problems. With this work, we provide a general introduction to amortized Bayesian parameter estimation and model comparison and demonstrate the applicability of the proposed methods on a well-known class of intractable response-time models.

Auto-regressive sequence generative models trained by Maximum Likelihood Estimation suffer the exposure bias problem in practical finite sample scenarios. The crux is that the number of training samples for Maximum Likelihood Estimation is usually limited and the input data distributions are different at training and inference stages. Many method shave been proposed to solve the above problem (Yu et al., 2017; Lu et al., 2018), which relies on sampling from the non-stationary model distribution and suffers from high variance or biased estimations. In this paper, we propose{\psi}-MLE, a new training scheme for auto-regressive sequence generative models, which is effective and stable when operating at large sample space encountered in text generation. We derive our algorithm from a new perspective of self-augmentation and introduce bias correction with density ratio estimation. Extensive experimental results on synthetic data and real-world text generation tasks demonstrate that our method stably outperforms Maximum Likelihood Estimation and other state-of-the-art sequence generative models in terms of both quality and diversity.

We propose a method to fuse posterior distributions learned from heterogeneous datasets. Our algorithm relies on a mean field assumption for both the fused model and the individual dataset posteriors and proceeds using a simple assign-and-average approach. The components of the dataset posteriors are assigned to the proposed global model components by solving a regularized variant of the assignment problem. The global components are then updated based on these assignments by their mean under a KL divergence. For exponential family variational distributions, our formulation leads to an efficient non-parametric algorithm for computing the fused model. Our algorithm is easy to describe and implement, efficient, and competitive with state-of-the-art on motion capture analysis, topic modeling, and federated learning of Bayesian neural networks.

Traditional training of deep classifiers yields overconfident models that are not reliable under dataset shift. We propose a Bayesian framework to obtain reliable uncertainty estimates for deep classifiers. Our approach consists of a plug-in "generator" used to augment the data with an additional class of points that lie on the boundary of the training data, followed by Bayesian inference on top of features that are trained to distinguish these "out-of-distribution" points.

We formulate approximate Bayesian inference in non-conjugate temporal and spatio-temporal Gaussian process models as a simple parameter update rule applied during Kalman smoothing. This viewpoint encompasses most inference schemes, including expectation propagation (EP), the classical (Extended, Unscented, etc.) Kalman smoothers, and variational inference. We provide a unifying perspective on these algorithms, showing how replacing the power EP moment matching step with linearisation recovers the classical smoothers. EP provides some benefits over the traditional methods via introduction of the so-called cavity distribution, and we combine these benefits with the computational efficiency of linearisation, providing extensive empirical analysis demonstrating the efficacy of various algorithms under this unifying framework. We provide a fast implementation of all methods in JAX.