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We study sequential probability assignment in the Gaussian setting, where the goal is to predict, or equivalently compress, a sequence of real-valued observations almost as well as the best Gaussian distribution with mean constrained to a given subset of $\mathbf{R}^n$. First, in the case of a convex constraint set $K$, we express the hardness of the prediction problem (the minimax regret) in terms of the intrinsic volumes of $K$; specifically, it equals the logarithm of the Wills functional from convex geometry. We then establish a comparison inequality for the Wills functional in the general nonconvex case, which underlines the metric nature of this quantity and generalizes the Slepian-Sudakov-Fernique comparison principle for the Gaussian width. Motivated by this inequality, we characterize the exact order of magnitude of the considered functional for a general nonconvex set, in terms of global covering numbers and local Gaussian widths. This implies metric isomorphic estimates for the log-Laplace transform of the intrinsic volume sequence of a convex body. As part of our analysis, we also characterize the minimax redundancy for a general constraint set. We finally relate and contrast our findings with classical asymptotic results in information theory.

Achieving optimal statistical performance while ensuring the privacy of personal data is a challenging yet crucial objective in modern data analysis. However, characterizing the optimality, particularly the minimax lower bound, under privacy constraints is technically difficult. To address this issue, we propose a novel approach called the score attack, which provides a lower bound on the differential-privacy-constrained minimax risk of parameter estimation. The score attack method is based on the tracing attack concept in differential privacy and can be applied to any statistical model with a well-defined score statistic. It can optimally lower bound the minimax risk of estimating unknown model parameters, up to a logarithmic factor, while ensuring differential privacy for a range of statistical problems. We demonstrate the effectiveness and optimality of this general method in various examples, such as the generalized linear model in both classical and high-dimensional sparse settings, the Bradley-Terry-Luce model for pairwise comparisons, and nonparametric regression over the Sobolev class.

Mutual information (MI) is a fundamental quantity in information theory and machine learning. However, direct estimation of MI is intractable, even if the true joint probability density for the variables of interest is known, as it involves estimating a potentially high-dimensional log partition function. In this work, we present a unifying view of existing MI bounds from the perspective of importance sampling, and propose three novel bounds based on this approach. Since accurate estimation of MI without density information requires a sample size exponential in the true MI, we assume either a single marginal or the full joint density information is known. In settings where the full joint density is available, we propose Multi-Sample Annealed Importance Sampling (AIS) bounds on MI, which we demonstrate can tightly estimate large values of MI in our experiments. In settings where only a single marginal distribution is known, we propose Generalized IWAE (GIWAE) and MINE-AIS bounds. Our GIWAE bound unifies variational and contrastive bounds in a single framework that generalizes InfoNCE, IWAE, and Barber-Agakov bounds. Our MINE-AIS method improves upon existing energy-based methods such as MINE-DV and MINE-F by directly optimizing a tighter lower bound on MI. MINE-AIS uses MCMC sampling to estimate gradients for training and Multi-Sample AIS for evaluating the bound. Our methods are particularly suitable for evaluating MI in deep generative models, since explicit forms of the marginal or joint densities are often available. We evaluate our bounds on estimating the MI of VAEs and GANs trained on the MNIST and CIFAR datasets, and showcase significant gains over existing bounds in these challenging settings with high ground truth MI.

This paper proposes high-order accurate well-balanced (WB) energy stable (ES) adaptive moving mesh finite difference schemes for the shallow water equations (SWEs) with non-flat bottom topography. To enable the construction of the ES schemes on moving meshes, a reformulation of the SWEs is introduced, with the bottom topography as an additional conservative variable that evolves in time. The corresponding energy inequality is derived based on a modified energy function, then the reformulated SWEs and energy inequality are transformed into curvilinear coordinates. A two-point energy conservative (EC) flux is constructed, and high-order EC schemes based on such a flux are proved to be WB that they preserve the lake at rest. Then high-order ES schemes are derived by adding suitable dissipation terms to the EC schemes, which are newly designed to maintain the WB and ES properties simultaneously. The adaptive moving mesh strategy is performed by iteratively solving the Euler-Lagrangian equations of a mesh adaptation functional. The fully-discrete schemes are obtained by using the explicit strong-stability preserving third-order Runge-Kutta method. Several numerical tests are conducted to validate the accuracy, WB and ES properties, shock-capturing ability, and high efficiency of the schemes.

Combining machine learning and constrained optimization, Predict+Optimize tackles optimization problems containing parameters that are unknown at the time of solving. Prior works focus on cases with unknowns only in the objectives. A new framework was recently proposed to cater for unknowns also in constraints by introducing a loss function, called Post-hoc Regret, that takes into account the cost of correcting an unsatisfiable prediction. Since Post-hoc Regret is non-differentiable, the previous work computes only its approximation. While the notion of Post-hoc Regret is general, its specific implementation is applicable to only packing and covering linear programming problems. In this paper, we first show how to compute Post-hoc Regret exactly for any optimization problem solvable by a recursive algorithm satisfying simple conditions. Experimentation demonstrates substantial improvement in the quality of solutions as compared to the earlier approximation approach. Furthermore, we show experimentally the empirical behavior of different combinations of correction and penalty functions used in the Post-hoc Regret of the same benchmarks. Results provide insights for defining the appropriate Post-hoc Regret in different application scenarios.

Estimating a Gibbs density function given a sample is an important problem in computational statistics and statistical learning. Although the well established maximum likelihood method is commonly used, it requires the computation of the partition function (i.e., the normalization of the density). This function can be easily calculated for simple low-dimensional problems but its computation is difficult or even intractable for general densities and high-dimensional problems. In this paper we propose an alternative approach based on Maximum A-Posteriori (MAP) estimators, we name Maximum Recovery MAP (MR-MAP), to derive estimators that do not require the computation of the partition function, and reformulate the problem as an optimization problem. We further propose a least-action type potential that allows us to quickly solve the optimization problem as a feed-forward hyperbolic neural network. We demonstrate the effectiveness of our methods on some standard data sets.

Optimization algorithms such as projected Newton's method, FISTA, mirror descent, and its variants enjoy near-optimal regret bounds and convergence rates, but suffer from a computational bottleneck of computing ``projections'' in potentially each iteration (e.g., $O(T^{1/2})$ regret of online mirror descent). On the other hand, conditional gradient variants solve a linear optimization in each iteration, but result in suboptimal rates (e.g., $O(T^{3/4})$ regret of online Frank-Wolfe). Motivated by this trade-off in runtime v/s convergence rates, we consider iterative projections of close-by points over widely-prevalent submodular base polytopes $B(f)$. We first give necessary and sufficient conditions for when two close points project to the same face of a polytope, and then show that points far away from the polytope project onto its vertices with high probability. We next use this theory and develop a toolkit to speed up the computation of iterative projections over submodular polytopes using both discrete and continuous perspectives. We subsequently adapt the away-step Frank-Wolfe algorithm to use this information and enable early termination. For the special case of cardinality-based submodular polytopes, we improve the runtime of computing certain Bregman projections by a factor of $\Omega(n/\log(n))$. Our theoretical results show orders of magnitude reduction in runtime in preliminary computational experiments.

This paper is concerned with the inverse medium problem of determining the location and shape of penetrable scattering objects from measurements of the scattered field. We study a sampling indicator function for recovering the scattering object in a fast and robust way. A flexibility of this indicator function is that it is applicable to data measured in near-field regime or far-field regime. The implementation of the function is simple and does not involve solving any ill-posed problems. The resolution analysis and stability estimate of the indicator function are investigated using the factorization analysis of the far-field operator along with the Funk-Hecke formula. The performance of the method is verified on both simulated and experimental data.

A second-order accurate kernel-free boundary integral method is presented for Stokes and Navier boundary value problems on three-dimensional irregular domains. It solves equations in the framework of boundary integral equations, whose corresponding discrete forms are well-conditioned and solved by the GMRES method. A notable feature of this approach is that the boundary or volume integrals encountered in BIEs are indirectly evaluated by a Cartesian grid-based method, which includes discretizing corresponding simple interface problems with a MAC scheme, correcting discrete linear systems to reduce large local truncation errors near the interface, solving the modified system by a CG method together with an FFT-based Poisson solver. No extra work or special quadratures are required to deal with singular or hyper-singular boundary integrals and the dependence on the analytical expressions of Green's functions for the integral kernels is completely eliminated. Numerical results are given to demonstrate the efficiency and accuracy of the Cartesian grid-based method.

The Q-learning algorithm is known to be affected by the maximization bias, i.e. the systematic overestimation of action values, an important issue that has recently received renewed attention. Double Q-learning has been proposed as an efficient algorithm to mitigate this bias. However, this comes at the price of an underestimation of action values, in addition to increased memory requirements and a slower convergence. In this paper, we introduce a new way to address the maximization bias in the form of a "self-correcting algorithm" for approximating the maximum of an expected value. Our method balances the overestimation of the single estimator used in conventional Q-learning and the underestimation of the double estimator used in Double Q-learning. Applying this strategy to Q-learning results in Self-correcting Q-learning. We show theoretically that this new algorithm enjoys the same convergence guarantees as Q-learning while being more accurate. Empirically, it performs better than Double Q-learning in domains with rewards of high variance, and it even attains faster convergence than Q-learning in domains with rewards of zero or low variance. These advantages transfer to a Deep Q Network implementation that we call Self-correcting DQN and which outperforms regular DQN and Double DQN on several tasks in the Atari 2600 domain.