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We consider the problem of sampling a high dimensional multimodal target probability measure. We assume that a good proposal kernel to move only a subset of the degrees of freedoms (also known as collective variables) is known a priori. This proposal kernel can for example be built using normalizing flows. We show how to extend the move from the collective variable space to the full space and how to implement an accept-reject step in order to get a reversible chain with respect to a target probability measure. The accept-reject step does not require to know the marginal of the original measure in the collective variable (namely to know the free energy). The obtained algorithm admits several variants, some of them being very close to methods which have been proposed previously in the literature. We show how the obtained acceptance ratio can be expressed in terms of the work which appears in the Jarzynski-Crooks equality, at least for some variants. Numerical illustrations demonstrate the efficiency of the approach on various simple test cases, and allow us to compare the variants of the algorithm.

In the present work, strong approximation errors are analyzed for both the spatial semi-discretization and the spatio-temporal fully discretization of stochastic wave equations (SWEs) with cubic polynomial nonlinearities and additive noises. The fully discretization is achieved by the standard Galerkin ffnite element method in space and a novel exponential time integrator combined with the averaged vector ffeld approach. The newly proposed scheme is proved to exactly satisfy a trace formula based on an energy functional. Recovering the convergence rates of the scheme, however, meets essential difffculties, due to the lack of the global monotonicity condition. To overcome this issue, we derive the exponential integrability property of the considered numerical approximations, by the energy functional. Armed with these properties, we obtain the strong convergence rates of the approximations in both spatial and temporal direction. Finally, numerical results are presented to verify the previously theoretical findings.

The purpose of this paper is to employ the language of Cartan moving frames to study the geometry of the data manifolds and its Riemannian structure, via the data information metric and its curvature at data points. Using this framework and through experiments, explanations on the response of a neural network are given by pointing out the output classes that are easily reachable from a given input. This emphasizes how the proposed mathematical relationship between the output of the network and the geometry of its inputs can be exploited as an explainable artificial intelligence tool.

Upholding data privacy especially in medical research has become tantamount to facing difficulties in accessing individual-level patient data. Estimating mixed effects binary logistic regression models involving data from multiple data providers like hospitals thus becomes more challenging. Federated learning has emerged as an option to preserve the privacy of individual observations while still estimating a global model that can be interpreted on the individual level, but it usually involves iterative communication between the data providers and the data analyst. In this paper, we present a strategy to estimate a mixed effects binary logistic regression model that requires data providers to share summary statistics only once. It involves generating pseudo-data whose summary statistics match those of the actual data and using these into the model estimation process instead of the actual unavailable data. Our strategy is able to include multiple predictors which can be a combination of continuous and categorical variables. Through simulation, we show that our approach estimates the true model at least as good as the one which requires the pooled individual observations. An illustrative example using real data is provided. Unlike typical federated learning algorithms, our approach eliminates infrastructure requirements and security issues while being communication efficient and while accounting for heterogeneity.

The success of over-parameterized neural networks trained to near-zero training error has caused great interest in the phenomenon of benign overfitting, where estimators are statistically consistent even though they interpolate noisy training data. While benign overfitting in fixed dimension has been established for some learning methods, current literature suggests that for regression with typical kernel methods and wide neural networks, benign overfitting requires a high-dimensional setting where the dimension grows with the sample size. In this paper, we show that the smoothness of the estimators, and not the dimension, is the key: benign overfitting is possible if and only if the estimator's derivatives are large enough. We generalize existing inconsistency results to non-interpolating models and more kernels to show that benign overfitting with moderate derivatives is impossible in fixed dimension. Conversely, we show that rate-optimal benign overfitting is possible for regression with a sequence of spiky-smooth kernels with large derivatives. Using neural tangent kernels, we translate our results to wide neural networks. We prove that while infinite-width networks do not overfit benignly with the ReLU activation, this can be fixed by adding small high-frequency fluctuations to the activation function. Our experiments verify that such neural networks, while overfitting, can indeed generalize well even on low-dimensional data sets.

We propose a novel, highly efficient, second-order accurate, long-time unconditionally stable numerical scheme for a class of finite-dimensional nonlinear models that are of importance in geophysical fluid dynamics. The scheme is highly efficient in the sense that only a (fixed) symmetric positive definite linear problem (with varying right hand sides) is involved at each time-step. The solutions to the scheme are uniformly bounded for all time. We show that the scheme is able to capture the long-time dynamics of the underlying geophysical model, with the global attractors as well as the invariant measures of the scheme converge to those of the original model as the step size approaches zero. In our numerical experiments, we take an indirect approach, using long-term statistics to approximate the invariant measures. Our results suggest that the convergence rate of the long-term statistics, as a function of terminal time, is approximately first order using the Jensen-Shannon metric and half-order using the L1 metric. This implies that very long time simulation is needed in order to capture a few significant digits of long time statistics (climate) correct. Nevertheless, the second order scheme's performance remains superior to that of the first order one, requiring significantly less time to reach a small neighborhood of statistical equilibrium for a given step size.

We establish a refined version of a graph container lemma due to Galvin and discuss several applications related to the hard-core model on bipartite expander graphs. Given a graph $G$ and $\lambda>0$, the hard-core model on $G$ at activity $\lambda$ is the probability distribution $\mu_{G,\lambda}$ on independent sets in $G$ given by $\mu_{G,\lambda}(I)\propto \lambda^{|I|}$. As one of our main applications, we show that the hard-core model at activity $\lambda$ on the hypercube $Q_d$ exhibits a `structured phase' for $\lambda= \Omega( \log^2 d/d^{1/2})$ in the following sense: in a typical sample from $\mu_{Q_d,\lambda}$, most vertices are contained in one side of the bipartition of $Q_d$. This improves upon a result of Galvin which establishes the same for $\lambda=\Omega(\log d/ d^{1/3})$. As another application, we establish a fully polynomial-time approximation scheme (FPTAS) for the hard-core model on a $d$-regular bipartite $\alpha$-expander, with $\alpha>0$ fixed, when $\lambda= \Omega( \log^2 d/d^{1/2})$. This improves upon the bound $\lambda=\Omega(\log d/ d^{1/4})$ due to the first author, Perkins and Potukuchi. We discuss similar improvements to results of Galvin-Tetali, Balogh-Garcia-Li and Kronenberg-Spinka.

Hashing has been widely used in approximate nearest search for large-scale database retrieval for its computation and storage efficiency. Deep hashing, which devises convolutional neural network architecture to exploit and extract the semantic information or feature of images, has received increasing attention recently. In this survey, several deep supervised hashing methods for image retrieval are evaluated and I conclude three main different directions for deep supervised hashing methods. Several comments are made at the end. Moreover, to break through the bottleneck of the existing hashing methods, I propose a Shadow Recurrent Hashing(SRH) method as a try. Specifically, I devise a CNN architecture to extract the semantic features of images and design a loss function to encourage similar images projected close. To this end, I propose a concept: shadow of the CNN output. During optimization process, the CNN output and its shadow are guiding each other so as to achieve the optimal solution as much as possible. Several experiments on dataset CIFAR-10 show the satisfying performance of SRH.

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.