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We employ kernel-based approaches that use samples from a probability distribution to approximate a Kolmogorov operator on a manifold. The self-tuning variable-bandwidth kernel method [Berry & Harlim, Appl. Comput. Harmon. Anal., 40(1):68--96, 2016] computes a large, sparse matrix that approximates the differential operator. Here, we use the eigendecomposition of the discretization to (i) invert the operator, solving a differential equation, and (ii) represent gradient vector fields on the manifold. These methods only require samples from the underlying distribution and, therefore, can be applied in high dimensions or on geometrically complex manifolds when spatial discretizations are not available. We also employ an efficient $k$-$d$ tree algorithm to compute the sparse kernel matrix, which is a computational bottleneck.

Many recent state-of-the-art (SOTA) optical flow models use finite-step recurrent update operations to emulate traditional algorithms by encouraging iterative refinements toward a stable flow estimation. However, these RNNs impose large computation and memory overheads, and are not directly trained to model such stable estimation. They can converge poorly and thereby suffer from performance degradation. To combat these drawbacks, we propose deep equilibrium (DEQ) flow estimators, an approach that directly solves for the flow as the infinite-level fixed point of an implicit layer (using any black-box solver), and differentiates through this fixed point analytically (thus requiring $O(1)$ training memory). This implicit-depth approach is not predicated on any specific model, and thus can be applied to a wide range of SOTA flow estimation model designs. The use of these DEQ flow estimators allows us to compute the flow faster using, e.g., fixed-point reuse and inexact gradients, consumes $4\sim6\times$ times less training memory than the recurrent counterpart, and achieves better results with the same computation budget. In addition, we propose a novel, sparse fixed-point correction scheme to stabilize our DEQ flow estimators, which addresses a longstanding challenge for DEQ models in general. We test our approach in various realistic settings and show that it improves SOTA methods on Sintel and KITTI datasets with substantially better computational and memory efficiency.

We investigate the feature compression of high-dimensional ridge regression using the optimal subsampling technique. Specifically, based on the basic framework of random sampling algorithm on feature for ridge regression and the A-optimal design criterion, we first obtain a set of optimal subsampling probabilities. Considering that the obtained probabilities are uneconomical, we then propose the nearly optimal ones. With these probabilities, a two step iterative algorithm is established which has lower computational cost and higher accuracy. We provide theoretical analysis and numerical experiments to support the proposed methods. Numerical results demonstrate the decent performance of our methods.

Stochastic Gradient Descent (SGD) is a central tool in machine learning. We prove that SGD converges to zero loss, even with a fixed (non-vanishing) learning rate - in the special case of homogeneous linear classifiers with smooth monotone loss functions, optimized on linearly separable data. Previous works assumed either a vanishing learning rate, iterate averaging, or loss assumptions that do not hold for monotone loss functions used for classification, such as the logistic loss. We prove our result on a fixed dataset, both for sampling with or without replacement. Furthermore, for logistic loss (and similar exponentially-tailed losses), we prove that with SGD the weight vector converges in direction to the $L_2$ max margin vector as $O(1/\log(t))$ for almost all separable datasets, and the loss converges as $O(1/t)$ - similarly to gradient descent. Lastly, we examine the case of a fixed learning rate proportional to the minibatch size. We prove that in this case, the asymptotic convergence rate of SGD (with replacement) does not depend on the minibatch size in terms of epochs, if the support vectors span the data. These results may suggest an explanation to similar behaviors observed in deep networks, when trained with SGD.

This paper proposes a numerical method based on the Adomian decomposition approach for the time discretization, applied to Euler equations. A recursive property is demonstrated that allows to formulate the method in an appropriate and efficient way. To obtain a fully numerical scheme, the space discretization is achieved using the classical DG techniques. The efficiency of the obtained numerical scheme is demonstrated through numerical tests by comparison to exact solution and the popular Runge-Kutta DG method results.

Randomized Maximum Likelihood (RML) is an approximate posterior sampling methodology, widely used in Bayesian inverse problems with complex forward models, particularly in petroleum engineering applications. The procedure involves solving a multi-objective optimization problem, which can be challenging in high-dimensions and when there are constraints on computational costs. We propose a new methodology for tackling the RML optimization problem based on the high-dimensional Bayesian optimization literature. By sharing data between the different objective functions, we are able to implement RML at a greatly reduced computational cost. We demonstrate the benefits of our methodology in comparison with the solutions obtained by alternative optimization methods on a variety of synthetic and real-world problems, including medical and fluid dynamics applications. Furthermore, we show that the samples produced by our method cover well the high-posterior density regions in all of the experiments.

The stochastic gradient Langevin Dynamics is one of the most fundamental algorithms to solve sampling problems and non-convex optimization appearing in several machine learning applications. Especially, its variance reduced versions have nowadays gained particular attention. In this paper, we study two variants of this kind, namely, the Stochastic Variance Reduced Gradient Langevin Dynamics and the Stochastic Recursive Gradient Langevin Dynamics. We prove their convergence to the objective distribution in terms of KL-divergence under the sole assumptions of smoothness and Log-Sobolev inequality which are weaker conditions than those used in prior works for these algorithms. With the batch size and the inner loop length set to $\sqrt{n}$, the gradient complexity to achieve an $\epsilon$-precision is $\tilde{O}((n+dn^{1/2}\epsilon^{-1})\gamma^2 L^2\alpha^{-2})$, which is an improvement from any previous analyses. We also show some essential applications of our result to non-convex optimization.

While the theoretical analysis of evolutionary algorithms (EAs) has made significant progress for pseudo-Boolean optimization problems in the last 25 years, only sporadic theoretical results exist on how EAs solve permutation-based problems. To overcome the lack of permutation-based benchmark problems, we propose a general way to transfer the classic pseudo-Boolean benchmarks into benchmarks defined on sets of permutations. We then conduct a rigorous runtime analysis of the permutation-based $(1+1)$ EA proposed by Scharnow, Tinnefeld, and Wegener (2004) on the analogues of the \textsc{LeadingOnes} and \textsc{Jump} benchmarks. The latter shows that, different from bit-strings, it is not only the Hamming distance that determines how difficult it is to mutate a permutation $\sigma$ into another one $\tau$, but also the precise cycle structure of $\sigma \tau^{-1}$. For this reason, we also regard the more symmetric scramble mutation operator. We observe that it not only leads to simpler proofs, but also reduces the runtime on jump functions with odd jump size by a factor of $\Theta(n)$. Finally, we show that a heavy-tailed version of the scramble operator, as in the bit-string case, leads to a speed-up of order $m^{\Theta(m)}$ on jump functions with jump size~$m$.%

The numerical solution of singular eigenvalue problems is complicated by the fact that small perturbations of the coefficients may have an arbitrarily bad effect on eigenvalue accuracy. However, it has been known for a long time that such perturbations are exceptional and standard eigenvalue solvers, such as the QZ algorithm, tend to yield good accuracy despite the inevitable presence of roundoff error. Recently, Lotz and Noferini quantified this phenomenon by introducing the concept of $\delta$-weak eigenvalue condition numbers. In this work, we consider singular quadratic eigenvalue problems and two popular linearizations. Our results show that a correctly chosen linearization increases $\delta$-weak eigenvalue condition numbers only marginally, justifying the use of these linearizations in numerical solvers also in the singular case. We propose a very simple but often effective algorithm for computing well-conditioned eigenvalues of a singular quadratic eigenvalue problems by adding small random perturbations to the coefficients. We prove that the eigenvalue condition number is, with high probability, a reliable criterion for detecting and excluding spurious eigenvalues created from the singular part.

We propose a First-Order System Least Squares (FOSLS) method based on deep-learning for numerically solving second-order elliptic PDEs. The method we propose is capable of dealing with either variational and non-variational problems, and because of its meshless nature, it can also deal with problems posed in high-dimensional domains. We prove the $\Gamma$-convergence of the neural network approximation towards the solution of the continuous problem, and extend the convergence proof to some well-known related methods. Finally, we present several numerical examples illustrating the performance of our discretization.