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In this paper we prove upper and lower bounds on the minimal spherical dispersion. In particular, we see that the inverse $N(\varepsilon,d)$ of the minimal spherical dispersion is, for fixed $\varepsilon>0$, up to logarithmic terms linear in the dimension $d$. We also derive upper and lower bounds on the expected dispersion for points chosen independently and uniformly at random from the Euclidean unit sphere.

Unrolled computation graphs arise in many scenarios, including training RNNs, tuning hyperparameters through unrolled optimization, and training learned optimizers. Current approaches to optimizing parameters in such computation graphs suffer from high variance gradients, bias, slow updates, or large memory usage. We introduce a method called Persistent Evolution Strategies (PES), which divides the computation graph into a series of truncated unrolls, and performs an evolution strategies-based update step after each unroll. PES eliminates bias from these truncations by accumulating correction terms over the entire sequence of unrolls. PES allows for rapid parameter updates, has low memory usage, is unbiased, and has reasonable variance characteristics. We experimentally demonstrate the advantages of PES compared to several other methods for gradient estimation on synthetic tasks, and show its applicability to training learned optimizers and tuning hyperparameters.

The recently developed matrix based Renyi's entropy enables measurement of information in data simply using the eigenspectrum of symmetric positive semi definite (PSD) matrices in reproducing kernel Hilbert space, without estimation of the underlying data distribution. This intriguing property makes the new information measurement widely adopted in multiple statistical inference and learning tasks. However, the computation of such quantity involves the trace operator on a PSD matrix $G$ to power $\alpha$(i.e., $tr(G^\alpha)$), with a normal complexity of nearly $O(n^3)$, which severely hampers its practical usage when the number of samples (i.e., $n$) is large. In this work, we present computationally efficient approximations to this new entropy functional that can reduce its complexity to even significantly less than $O(n^2)$. To this end, we first develop randomized approximations to $\tr(\G^\alpha)$ that transform the trace estimation into matrix-vector multiplications problem. We extend such strategy for arbitrary values of $\alpha$ (integer or non-integer). We then establish the connection between the matrix-based Renyi's entropy and PSD matrix approximation, which enables us to exploit both clustering and block low-rank structure of $\G$ to further reduce the computational cost. We theoretically provide approximation accuracy guarantees and illustrate the properties of different approximations. Large-scale experimental evaluations on both synthetic and real-world data corroborate our theoretical findings, showing promising speedup with negligible loss in accuracy.

Often the easiest way to discretize an ordinary or partial differential equation is by a rectangular numerical method, in which n basis functions are sampled at m>>n collocation points. We show how eigenvalue problems can be solved in this setting by QR reduction to square matrix generalized eigenvalue problems. The method applies equally in the limit "m=infinity" of eigenvalue problems for quasimatrices. Numerical examples are presented as well as pointers to some related literature.

The modeling of dependence between maxima is an important subject in several applications in risk analysis. To this aim, the extreme value copula function, characterised via the madogram, can be used as a margin-free description of the dependence structure. From a practical point of view, the family of extreme value distributions is very rich and arise naturally as the limiting distribution of properly normalised component-wise maxima. In this paper, we investigate the nonparametric estimation of the madogram where data are completely missing at random. We provide the functional central limit theorem for the considered multivariate madrogram correctly normalized, towards a tight Gaussian process for which the covariance function depends on the probabilities of missing. Explicit formula for the asymptotic variance is also given. Our results are illustrated in a finite sample setting with a simulation study.

This paper discusses the estimation of the generalization gap, the difference between a generalization error and an empirical error, for overparameterized models (e.g., neural networks). We first show that a functional variance, a key concept in defining a widely-applicable information criterion, characterizes the generalization gap even in overparameterized settings where a conventional theory cannot be applied. We also propose a computationally efficient approximation of the function variance, the Langevin approximation of the functional variance (Langevin FV). This method leverages only the $1$st-order gradient of the squared loss function, without referencing the $2$nd-order gradient; this ensures that the computation is efficient and the implementation is consistent with gradient-based optimization algorithms. We demonstrate the Langevin FV numerically by estimating the generalization gaps of overparameterized linear regression and non-linear neural network models.

Solving the time-dependent Schr\"odinger equation is an important application area for quantum algorithms. We consider Schr\"odinger's equation in the semi-classical regime. Here the solutions exhibit strong multiple-scale behavior due to a small parameter $\hbar$, in the sense that the dynamics of the quantum states and the induced observables can occur on different spatial and temporal scales. Such a Schr\"odinger equation finds many applications, including in Born-Oppenheimer molecular dynamics and Ehrenfest dynamics. This paper considers quantum analogues of pseudo-spectral (PS) methods on classical computers. Estimates on the gate counts in terms of $\hbar$ and the precision $\varepsilon$ are obtained. It is found that the number of required qubits, $m$, scales only logarithmically with respect to $\hbar$. When the solution has bounded derivatives up to order $\ell$, the symmetric Trotting method has gate complexity $\mathcal{O}\Big({ (\varepsilon \hbar)^{-\frac12} \mathrm{polylog}(\varepsilon^{-\frac{3}{2\ell}} \hbar^{-1-\frac{1}{2\ell}})}\Big),$ provided that the diagonal unitary operators in the pseudo-spectral methods can be implemented with $\mathrm{poly}(m)$ operations. When physical observables are the desired outcomes, however, the step size in the time integration can be chosen independently of $\hbar$. The gate complexity in this case is reduced to $\mathcal{O}\Big({\varepsilon^{-\frac12} \mathrm{polylog}( \varepsilon^{-\frac3{2\ell}} \hbar^{-1} )}\Big),$ with $\ell$ again indicating the smoothness of the solution.

The combinatorial diameter $\operatorname{diam}(P)$ of a polytope $P$ is the maximum shortest path distance between any pair of vertices. In this paper, we provide upper and lower bounds on the combinatorial diameter of a random "spherical" polytope, which is tight to within one factor of dimension when the number of inequalities is large compared to the dimension. More precisely, for an $n$-dimensional polytope $P$ defined by the intersection of $m$ i.i.d.\ half-spaces whose normals are chosen uniformly from the sphere, we show that $\operatorname{diam}(P)$ is $\Omega(n m^{\frac{1}{n-1}})$ and $O(n^2 m^{\frac{1}{n-1}} + n^5 4^n)$ with high probability when $m \geq 2^{\Omega(n)}$. For the upper bound, we first prove that the number of vertices in any fixed two dimensional projection sharply concentrates around its expectation when $m$ is large, where we rely on the $\Theta(n^2 m^{\frac{1}{n-1}})$ bound on the expectation due to Borgwardt [Math. Oper. Res., 1999]. To obtain the diameter upper bound, we stitch these ``shadows paths'' together over a suitable net using worst-case diameter bounds to connect vertices to the nearest shadow. For the lower bound, we first reduce to lower bounding the diameter of the dual polytope $P^\circ$, corresponding to a random convex hull, by showing the relation $\operatorname{diam}(P) \geq (n-1)(\operatorname{diam}(P^\circ)-2)$. We then prove that the shortest path between any ``nearly'' antipodal pair vertices of $P^\circ$ has length $\Omega(m^{\frac{1}{n-1}})$.

We consider the problem of discovering $K$ related Gaussian directed acyclic graphs (DAGs), where the involved graph structures share a consistent causal order and sparse unions of supports. Under the multi-task learning setting, we propose a $l_1/l_2$-regularized maximum likelihood estimator (MLE) for learning $K$ linear structural equation models. We theoretically show that the joint estimator, by leveraging data across related tasks, can achieve a better sample complexity for recovering the causal order (or topological order) than separate estimations. Moreover, the joint estimator is able to recover non-identifiable DAGs, by estimating them together with some identifiable DAGs. Lastly, our analysis also shows the consistency of union support recovery of the structures. To allow practical implementation, we design a continuous optimization problem whose optimizer is the same as the joint estimator and can be approximated efficiently by an iterative algorithm. We validate the theoretical analysis and the effectiveness of the joint estimator in experiments.

Learning embedding functions, which map semantically related inputs to nearby locations in a feature space supports a variety of classification and information retrieval tasks. In this work, we propose a novel, generalizable and fast method to define a family of embedding functions that can be used as an ensemble to give improved results. Each embedding function is learned by randomly bagging the training labels into small subsets. We show experimentally that these embedding ensembles create effective embedding functions. The ensemble output defines a metric space that improves state of the art performance for image retrieval on CUB-200-2011, Cars-196, In-Shop Clothes Retrieval and VehicleID.