In this comprehensive review, we describe a new mathematical problem in artificial intelligence (AI) from a mathematical modeling perspective, following the philosophy stated by Rudolf E. Kalman that "Once you get the physics right, the rest is mathematics". The new problem is called "Generalized Constraints (GCs)", and we adopt GCs as a general term to describe any type of prior information in modelings. To understand better about GCs to be a general problem, we compare them with the conventional constraints (CCs) and list their extra challenges over CCs. In the construction of AI machines, we basically encounter more often GCs for modeling, rather than CCs with well-defined forms. Furthermore, we discuss the ultimate goals of AI and redefine transparent, interpretable, and explainable AI in terms of comprehension levels about machines. We review the studies in relation to the GC problems although most of them do not take the notion of GCs. We demonstrate that if AI machines are simplified by a coupling with both knowledge-driven submodel and data-driven submodel, GCs will play a critical role in a knowledge-driven submodel as well as in the coupling form between the two submodels. Examples are given to show that the studies in view of a generalized constraint problem will help us perceive and explore novel subjects in AI, or even in mathematics, such as generalized constraint learning (GCL).

We study problem-dependent rates, i.e., generalization errors that scale near-optimally with the variance, the effective loss, or the gradient norms evaluated at the "best hypothesis." We introduce a principled framework dubbed "uniform localized convergence," and characterize sharp problem-dependent rates for central statistical learning problems. From a methodological viewpoint, our framework resolves several fundamental limitations of existing uniform convergence and localization analysis approaches. It also provides improvements and some level of unification in the study of localized complexities, one-sided uniform inequalities, and sample-based iterative algorithms. In the so-called "slow rate" regime, we provides the first (moment-penalized) estimator that achieves the optimal variance-dependent rate for general "rich" classes; we also establish improved loss-dependent rate for standard empirical risk minimization. In the "fast rate" regime, we establish finite-sample problem-dependent bounds that are comparable to precise asymptotics. In addition, we show that efficient algorithms like gradient descent and first-order Expectation-Maximization can achieve optimal generalization error in several representative problems across the areas of non-convex learning, stochastic optimization, and learning with missing data.

Clustering large, mixed data is a central problem in data mining. Many approaches adopt the idea of k-means, and hence are sensitive to initialisation, detect only spherical clusters, and require a priori the unknown number of clusters. We here develop a new clustering algorithm for large data of mixed type, aiming at improving the applicability and efficiency of the peak-finding technique. The improvements are threefold: (1) the new algorithm is applicable to mixed data; (2) the algorithm is capable of detecting outliers and clusters of relatively lower density values; (3) the algorithm is competent at deciding the correct number of clusters. The computational complexity of the algorithm is greatly reduced by applying a fast k-nearest neighbors method and by scaling down to component sets. We present experimental results to verify that our algorithm works well in practice. Keywords: Clustering; Big Data; Mixed Attribute; Density Peaks; Nearest-Neighbor Graph; Conductance.

High-dimensional probability density estimation for inference suffers from the "curse of dimensionality". For many physical inference problems, the full posterior distribution is unwieldy and seldom used in practice. Instead, we propose direct estimation of lower-dimensional marginal distributions, bypassing high-dimensional density estimation or high-dimensional Markov chain Monte Carlo (MCMC) sampling. By evaluating the two-dimensional marginal posteriors we can unveil the full-dimensional parameter covariance structure. We additionally propose constructing a simple hierarchy of fast neural regression models, called Moment Networks, that compute increasing moments of any desired lower-dimensional marginal posterior density; these reproduce exact results from analytic posteriors and those obtained from Masked Autoregressive Flows. We demonstrate marginal posterior density estimation using high-dimensional LIGO-like gravitational wave time series and describe applications for problems of fundamental cosmology.

We develop a general framework for constructing new information-theoretic divergences that rigorously interpolate between $f$-divergences and integral probability metrics (IPMs), such as the Wasserstein distance. These new divergences inherit features from IPMs, such as the ability to compare distributions which are not absolute continuous, as well as from $f$-divergences, for instance the strict concavity of their variational representations and the ability to compare heavy-tailed distributions. When combined, these features establish a divergence with improved convergence and estimation properties for statistical learning applications. We demonstrate their use in the training of generative adversarial networks (GAN) for heavy-tailed data and also show they can provide improved performance over gradient-penalized Wasserstein GAN in image generation.

In this paper, we study the Empirical Risk Minimization (ERM) problem in the non-interactive Local Differential Privacy (LDP) model. Previous research on this problem \citep{smith2017interaction} indicates that the sample complexity, to achieve error $\alpha$, needs to be exponentially depending on the dimensionality $p$ for general loss functions. In this paper, we make two attempts to resolve this issue by investigating conditions on the loss functions that allow us to remove such a limit. In our first attempt, we show that if the loss function is $(\infty, T)$-smooth, by using the Bernstein polynomial approximation we can avoid the exponential dependency in the term of $\alpha$. We then propose player-efficient algorithms with $1$-bit communication complexity and $O(1)$ computation cost for each player. The error bound of these algorithms is asymptotically the same as the original one. With some additional assumptions, we also give an algorithm which is more efficient for the server. In our second attempt, we show that for any $1$-Lipschitz generalized linear convex loss function, there is an $(\epsilon, \delta)$-LDP algorithm whose sample complexity for achieving error $\alpha$ is only linear in the dimensionality $p$. Our results use a polynomial of inner product approximation technique. Finally, motivated by the idea of using polynomial approximation and based on different types of polynomial approximations, we propose (efficient) non-interactive locally differentially private algorithms for learning the set of k-way marginal queries and the set of smooth queries.

The complete blood count (CBC) performed by automated hematology analyzers is one of the most ordered laboratory tests. It is a first-line tool for assessing a patient's general health status, or diagnosing and monitoring disease progression. When the analysis does not fit an expected setting, technologists manually review a blood smear using a microscope. The International Consensus Group for Hematology Review published in 2005 a set of criteria for reviewing CBCs. Commonly, adjustments are locally needed to account for laboratory resources and populations characteristics. Our objective is to provide a decision support tool to identify which CBC variables are associated with higher risks of abnormal smear and at which cutoff values. We propose a cost-sensitive Lasso-penalized additive logistic regression combined with stability selection. Using simulated and real CBC data, we demonstrate that our tool correctly identify the true cutoff values, provided that there is enough available data in their neighbourhood.

Safe reinforcement learning (SRL) problems are typically modeled as constrained Markov Decision Process (CMDP), in which an agent explores the environment to maximize the expected total reward and meanwhile avoids violating certain constraints on a number of expected total costs. In general, such SRL problems have nonconvex objective functions subject to multiple nonconvex constraints, and hence are very challenging to solve, particularly to provide a globally optimal policy. Many popular SRL algorithms adopt a primal-dual structure which utilizes the updating of dual variables for satisfying the constraints. In contrast, we propose a primal approach, called constraint-rectified policy optimization (CRPO), which updates the policy alternatingly between objective improvement and constraint satisfaction. CRPO provides a primal-type algorithmic framework to solve SRL problems, where each policy update can take any variant of policy optimization step. To demonstrate the theoretical performance of CRPO, we adopt natural policy gradient (NPG) for each policy update step and show that CRPO achieves an $\mathcal{O}(1/\sqrt{T})$ convergence rate to the global optimal policy in the constrained policy set and an $\mathcal{O}(1/\sqrt{T})$ error bound on constraint satisfaction. This is the first finite-time analysis of SRL algorithms with global optimality guarantee. Our empirical results demonstrate that CRPO can outperform the existing primal-dual baseline algorithms significantly.

We revisit empirical Bayes in the absence of a tractable likelihood function, as is typical in scientific domains relying on computer simulations. We investigate how the empirical Bayesian can make use of neural density estimators first to use all noise-corrupted observations to estimate a prior or source distribution over uncorrupted samples, and then to perform single-observation posterior inference using the fitted source distribution. We propose an approach based on the direct maximization of the log-marginal likelihood of the observations, examining both biased and de-biased estimators, and comparing to variational approaches. We find that, up to symmetries, a neural empirical Bayes approach recovers ground truth source distributions. With the learned source distribution in hand, we show the applicability to likelihood-free inference and examine the quality of the resulting posterior estimates. Finally, we demonstrate the applicability of Neural Empirical Bayes on an inverse problem from collider physics.

Recent advances in incorporating neural networks into particle filters provide the desired flexibility to apply particle filters in large-scale real-world applications. The dynamic and measurement models in this framework are learnable through the differentiable implementation of particle filters. Past efforts in optimising such models often require the knowledge of true states which can be expensive to obtain or even unavailable in practice. In this paper, in order to reduce the demand for annotated data, we present an end-to-end learning objective based upon the maximisation of a pseudo-likelihood function which can improve the estimation of states when large portion of true states are unknown. We assess performance of the proposed method in state estimation tasks in robotics with simulated and real-world datasets.