We consider the problem of approximating the solution to $A(\mu) x(\mu) = b$ for many different values of the parameter $\mu$. Here we assume $A(\mu)$ is large, sparse, and nonsingular with a nonlinear dependence on $\mu$. Our method is based on a companion linearization derived from an accurate Chebyshev interpolation of $A(\mu)$ on the interval $[-a,a]$, $a \in \mathbb{R}$. The solution to the linearization is approximated in a preconditioned BiCG setting for shifted systems, where the Krylov basis matrix is formed once. This process leads to a short-term recurrence method, where one execution of the algorithm produces the approximation to $x(\mu)$ for many different values of the parameter $\mu \in [-a,a]$ simultaneously. In particular, this work proposes one algorithm which applies a shift-and-invert preconditioner exactly as well as an algorithm which applies the preconditioner inexactly. The competitiveness of the algorithms are illustrated with large-scale problems arising from a finite element discretization of a Helmholtz equation with parameterized material coefficient. The software used in the simulations is publicly available online, and thus all our experiments are reproducible.
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Consider that there are $k\le n$ agents in a simple, connected, and undirected graph $G=(V,E)$ with $n$ nodes and $m$ edges. The goal of the dispersion problem is to move these $k$ agents to distinct nodes. Agents can communicate only when they are at the same node, and no other means of communication such as whiteboards are available. We assume that the agents operate synchronously. We consider two scenarios: when all agents are initially located at any single node (rooted setting) and when they are initially distributed over any one or more nodes (general setting). Kshemkalyani and Sharma presented a dispersion algorithm for the general setting, which uses $O(m_k)$ time and $\log(k+\delta)$ bits of memory per agent [OPODIS 2021]. Here, $m_k$ is the maximum number of edges in any induced subgraph of $G$ with $k$ nodes, and $\delta$ is the maximum degree of $G$. This algorithm is the fastest in the literature, as no algorithm with $o(m_k)$ time has been discovered even for the rooted setting. In this paper, we present faster algorithms for both the rooted and general settings. First, we present an algorithm for the rooted setting that solves the dispersion problem in $O(k\log \min(k,\delta))=O(k\log k)$ time using $O(\log \delta)$ bits of memory per agent. Next, we propose an algorithm for the general setting that achieves dispersion in $O(k (\log k)\cdot (\log \min(k,\delta))=O(k \log^2 k)$ time using $O(\log (k+\delta))$ bits.
We study the numerical integration of functions from isotropic Sobolev spaces $W_p^s([0,1]^d)$ using finitely many function evaluations within randomized algorithms, aiming for the smallest possible probabilistic error guarantee $\varepsilon > 0$ at confidence level $1-\delta \in (0,1)$. For spaces consisting of continuous functions, non-linear Monte Carlo methods with optimal confidence properties have already been known, in few cases even linear methods that succeed in that respect. In this paper we promote a new method called stratified control variates (SCV) and by it show that already linear methods achieve optimal probabilistic error rates in the high smoothness regime without the need to adjust algorithmic parameters to the uncertainty $\delta$. We also analyse a version of SCV in the low smoothness regime where $W_p^s([0,1]^d)$ may contain functions with singularities. Here, we observe a polynomial dependence of the error on $\delta^{-1}$ which cannot be avoided for linear methods. This is worse than what is known to be possible using non-linear algorithms where only a logarithmic dependence on $\delta^{-1}$ occurs if we tune in for a specific value of $\delta$.
We expound on some known lower bounds of the quadratic Wasserstein distance between random vectors in $\mathbb{R}^n$ with an emphasis on affine transformations that have been used in manifold learning of data in Wasserstein space. In particular, we give concrete lower bounds for rotated copies of random vectors in $\mathbb{R}^2$ with uncorrelated components by computing the Bures metric between the covariance matrices. We also derive upper bounds for compositions of affine maps which yield a fruitful variety of diffeomorphisms applied to an initial data measure. We apply these bounds to various distributions including those lying on a 1-dimensional manifold in $\mathbb{R}^2$ and illustrate the quality of the bounds. Finally, we give a framework for mimicking handwritten digit or alphabet datasets that can be applied in a manifold learning framework.
We consider Gibbs distributions, which are families of probability distributions over a discrete space $\Omega$ with probability mass function of the form $\mu^\Omega_\beta(\omega) \propto e^{\beta H(\omega)}$ for $\beta$ in an interval $[\beta_{\min}, \beta_{\max}]$ and $H( \omega ) \in \{0 \} \cup [1, n]$. The partition function is the normalization factor $Z(\beta)=\sum_{\omega \in\Omega}e^{\beta H(\omega)}$. Two important parameters of these distributions are the log partition ratio $q = \log \tfrac{Z(\beta_{\max})}{Z(\beta_{\min})}$ and the counts $c_x = |H^{-1}(x)|$. These are correlated with system parameters in a number of physical applications and sampling algorithms. Our first main result is to estimate the counts $c_x$ using roughly $\tilde O( \frac{q}{\varepsilon^2})$ samples for general Gibbs distributions and $\tilde O( \frac{n^2}{\varepsilon^2} )$ samples for integer-valued distributions (ignoring some second-order terms and parameters), and we show this is optimal up to logarithmic factors. We illustrate with improved algorithms for counting connected subgraphs, independent sets, and perfect matchings. As a key subroutine, we also develop algorithms to compute the partition function $Z$ using $\tilde O(\frac{q}{\varepsilon^2})$ samples for general Gibbs distributions and using $\tilde O(\frac{n^2}{\varepsilon^2})$ samples for integer-valued distributions.
Markov chain Monte Carlo (MCMC) algorithms are based on the construction of a Markov Chain with transition probabilities $P_\mu(x,\cdot)$, where $\mu$ indicates an invariant distribution of interest. In this work, we look at these transition probabilities as functions of their invariant distributions, and we develop a notion of derivative in the invariant distribution of a MCMC kernel. We build around this concept a set of tools that we refer to as Markov Chain Monte Carlo Calculus. This allows us to compare Markov chains with different invariant distributions within a suitable class via what we refer to as mean value inequalities. We explain how MCMC Calculus provides a natural framework to study algorithms using an approximation of an invariant distribution, also illustrating how it suggests practical guidelines for MCMC algorithms efficiency. We conclude this work by showing how the tools developed can be applied to prove convergence of interacting and sequential MCMC algorithms, which arise in the context of particle filtering.
Given a set of $K$ probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.
A $(a,b)$-coloring of a graph $G$ associates to each vertex a $b$-subset of a set of $a$ colors in such a way that the color-sets of adjacent vertices are disjoint. We define general reduction tools for $(a,b)$-coloring of graphs for $2\le a/b\le 3$. In particular, using necessary and sufficient conditions for the existence of a $(a,b)$-coloring of a path with prescribed color-sets on its end-vertices, more complex $(a,b)$-colorability reductions are presented. The utility of these tools is exemplified on finite triangle-free induced subgraphs of the triangular lattice for which McDiarmid-Reed's conjecture asserts that they are all $(9,4)$-colorable. Computations on millions of such graphs generated randomly show that our tools allow to find a $(9,4)$-coloring for each of them except for one specific regular shape of graphs (that can be $(9,4)$-colored by an easy ad-hoc process). We thus obtain computational evidence towards the conjecture of McDiarmid\&Reed.
The property that the velocity $\boldsymbol{u}$ belongs to $L^\infty(0,T;L^2(\Omega)^d)$ is an essential requirement in the definition of energy solutions of models for incompressible fluids. It is, therefore, highly desirable that the solutions produced by discretisation methods are uniformly stable in the $L^\infty(0,T;L^2(\Omega)^d)$-norm. In this work, we establish that this is indeed the case for Discontinuous Galerkin (DG) discretisations (in time and space) of non-Newtonian models with $p$-structure, assuming that $p\geq \frac{3d+2}{d+2}$; the time discretisation is equivalent to the RadauIIA Implicit Runge-Kutta method. We also prove (weak) convergence of the numerical scheme to the weak solution of the system; this type of convergence result for schemes based on quadrature seems to be new. As an auxiliary result, we also derive Gagliardo-Nirenberg-type inequalities on DG spaces, which might be of independent interest.
Given a sample of size $N$, it is often useful to select a subsample of smaller size $n<N$ to be used for statistical estimation or learning. Such a data selection step is useful to reduce the requirements of data labeling and the computational complexity of learning. We assume to be given $N$ unlabeled samples $\{{\boldsymbol x}_i\}_{i\le N}$, and to be given access to a `surrogate model' that can predict labels $y_i$ better than random guessing. Our goal is to select a subset of the samples, to be denoted by $\{{\boldsymbol x}_i\}_{i\in G}$, of size $|G|=n<N$. We then acquire labels for this set and we use them to train a model via regularized empirical risk minimization. By using a mixture of numerical experiments on real and synthetic data, and mathematical derivations under low- and high- dimensional asymptotics, we show that: $(i)$~Data selection can be very effective, in particular beating training on the full sample in some cases; $(ii)$~Certain popular choices in data selection methods (e.g. unbiased reweighted subsampling, or influence function-based subsampling) can be substantially suboptimal.
We present a new algorithm for amortized inference in sparse probabilistic graphical models (PGMs), which we call $\Delta$-amortized inference ($\Delta$-AI). Our approach is based on the observation that when the sampling of variables in a PGM is seen as a sequence of actions taken by an agent, sparsity of the PGM enables local credit assignment in the agent's policy learning objective. This yields a local constraint that can be turned into a local loss in the style of generative flow networks (GFlowNets) that enables off-policy training but avoids the need to instantiate all the random variables for each parameter update, thus speeding up training considerably. The $\Delta$-AI objective matches the conditional distribution of a variable given its Markov blanket in a tractable learned sampler, which has the structure of a Bayesian network, with the same conditional distribution under the target PGM. As such, the trained sampler recovers marginals and conditional distributions of interest and enables inference of partial subsets of variables. We illustrate $\Delta$-AI's effectiveness for sampling from synthetic PGMs and training latent variable models with sparse factor structure.
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