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In this contribution, we are concerned with parameter optimization problems that are constrained by multiscale PDE state equations. As an efficient numerical solution approach for such problems, we introduce and analyze a new relaxed and localized trust-region reduced basis method. Localization is obtained based on a Petrov-Galerkin localized orthogonal decomposition method and its recently introduced two-scale reduced basis approximation. We derive efficient localizable a posteriori error estimates for the optimality system, as well as for the two-scale reduced objective functional. While the relaxation of the outer trust-region optimization loop still allows for a rigorous convergence result, the resulting method converges much faster due to larger step sizes in the initial phase of the iterative algorithms. The resulting algorithm is parallelized in order to take advantage of the localization. Numerical experiments are given for a multiscale thermal block benchmark problem. The experiments demonstrate the efficiency of the approach, particularly for large scale problems, where methods based on traditional finite element approximation schemes are prohibitive or fail entirely.

Four-dimensional weak-constraint variational data assimilation estimates a state given partial noisy observations and dynamical model by minimizing a cost function that takes into account both discrepancy between the state and observations and model error over time. It can be formulated as a Gauss-Newton iteration of an associated least-squares problem. In this paper, we introduce a parameter in front of the observation mismatch and show analytically that this parameter is crucial either for convergence to the true solution when observations are noise-free or for boundness of the error when observations are noisy with bounded observation noise. We also consider joint state-parameter estimation. We illustrated theoretical results with numerical experiments using the Lorenz 63 and Lorenz 96 models.

Given the ubiquity of non-separable optimization problems in real worlds, in this paper we analyze and extend the large-scale version of the well-known cooperative coevolution (CC), a divide-and-conquer optimization framework, on non-separable functions. First, we reveal empirical reasons of why decomposition-based methods are preferred or not in practice on some non-separable large-scale problems, which have not been clearly pointed out in many previous CC papers. Then, we formalize CC to a continuous game model via simplification, but without losing its essential property. Different from previous evolutionary game theory for CC, our new model provides a much simpler but useful viewpoint to analyze its convergence, since only the pure Nash equilibrium concept is needed and more general fitness landscapes can be explicitly considered. Based on convergence analyses, we propose a hierarchical decomposition strategy for better generalization, as for any decomposition there is a risk of getting trapped into a suboptimal Nash equilibrium. Finally, we use powerful distributed computing to accelerate it under the multi-level learning framework, which combines the fine-tuning ability from decomposition with the invariance property of CMA-ES. Experiments on a set of high-dimensional functions validate both its search performance and scalability (w.r.t. CPU cores) on a clustering computing platform with 400 CPU cores.

In building practical applications of evolutionary computation (EC), two optimizations are essential. First, the parameters of the search method need to be tuned to the domain in order to balance exploration and exploitation effectively. Second, the search method needs to be distributed to take advantage of parallel computing resources. This paper presents BLADE (BLAnket Distributed Evolution) as an approach to achieving both goals simultaneously. BLADE uses blankets (i.e., masks on the genetic representation) to tune the evolutionary operators during the search, and implements the search through hub-and-spoke distribution. In the paper, (1) the blanket method is formalized for the (1 + 1)EA case as a Markov chain process. Its effectiveness is then demonstrated by analyzing dominant and subdominant eigenvalues of stochastic matrices, suggesting a generalizable theory; (2) the fitness-level theory is used to analyze the distribution method; and (3) these insights are verified experimentally on three benchmark problems, showing that both blankets and distribution lead to accelerated evolution. Moreover, a surprising synergy emerges between them: When combined with distribution, the blanket approach achieves more than $n$-fold speedup with $n$ clients in some cases. The work thus highlights the importance and potential of optimizing evolutionary computation in practical applications.

PDE-constrained inverse problems are some of the most challenging and computationally demanding problems in computational science today. Fine meshes that are required to accurately compute the PDE solution introduce an enormous number of parameters and require large scale computing resources such as more processors and more memory to solve such systems in a reasonable time. For inverse problems constrained by time dependent PDEs, the adjoint method that is often employed to efficiently compute gradients and higher order derivatives requires solving a time-reversed, so-called adjoint PDE that depends on the forward PDE solution at each timestep. This necessitates the storage of a high dimensional forward solution vector at every timestep. Such a procedure quickly exhausts the available memory resources. Several approaches that trade additional computation for reduced memory footprint have been proposed to mitigate the memory bottleneck, including checkpointing and compression strategies. In this work, we propose a close-to-ideal scalable compression approach using autoencoders to eliminate the need for checkpointing and substantial memory storage, thereby reducing both the time-to-solution and memory requirements. We compare our approach with checkpointing and an off-the-shelf compression approach on an earth-scale ill-posed seismic inverse problem. The results verify the expected close-to-ideal speedup for both the gradient and Hessian-vector product using the proposed autoencoder compression approach. To highlight the usefulness of the proposed approach, we combine the autoencoder compression with the data-informed active subspace (DIAS) prior to show how the DIAS method can be affordably extended to large scale problems without the need of checkpointing and large memory.

We define very large multi-objective optimization problems to be multiobjective optimization problems in which the number of decision variables is greater than 100,000 dimensions. This is an important class of problems as many real-world problems require optimizing hundreds of thousands of variables. Existing evolutionary optimization methods fall short of such requirements when dealing with problems at this very large scale. Inspired by the success of existing recommender systems to handle very large-scale items with limited historical interactions, in this paper we propose a method termed Very large-scale Multiobjective Optimization through Recommender Systems (VMORS). The idea of the proposed method is to transform the defined such very large-scale problems into a problem that can be tackled by a recommender system. In the framework, the solutions are regarded as users, and the different evolution directions are items waiting for the recommendation. We use Thompson sampling to recommend the most suitable items (evolutionary directions) for different users (solutions), in order to locate the optimal solution to a multiobjective optimization problem in a very large search space within acceptable time. We test our proposed method on different problems from 100,000 to 500,000 dimensions, and experimental results show that our method not only shows good performance but also significant improvement over existing methods.

We investigate the high-dimensional linear regression problem in situations where there is noise correlated with Gaussian covariates. In regression models, the phenomenon of the correlated noise is called endogeneity, which is due to unobserved variables and others, and has been a major problem setting in causal inference and econometrics. When the covariates are high-dimensional, it has been common to assume sparsity on the true parameters and estimate them using regularization, even with the endogeneity. However, when sparsity does not hold, it has not been well understood to control the endogeneity and high dimensionality simultaneously. In this paper, we demonstrate that an estimator without regularization can achieve consistency, i.e., benign overfitting, under certain assumptions on the covariance matrix. Specifically, we show that the error of this estimator converges to zero when covariance matrices of the correlated noise and instrumental variables satisfy a condition on their eigenvalues. We consider several extensions to relax these conditions and conduct experiments to support our theoretical findings. As a technical contribution, we utilize the convex Gaussian minimax theorem (CGMT) in our dual problem and extend the CGMT itself.

An orthogonal representation of a graph $G$ over a field $\mathbb{F}$ is an assignment of a vector $u_v \in \mathbb{F}^t$ to every vertex $v$ of $G$, such that $\langle u_v,u_v \rangle \neq 0$ for every vertex $v$ and $\langle u_v,u_{v'} \rangle = 0$ whenever $v$ and $v'$ are adjacent in $G$. The locality of the orthogonal representation is the largest dimension of a subspace spanned by the vectors associated with a closed neighborhood in the graph. We introduce a novel graph parameter, called the local orthogonality dimension, defined for a given graph $G$ and a given field $\mathbb{F}$, as the smallest possible locality of an orthogonal representation of $G$ over $\mathbb{F}$. We investigate the usefulness of topological methods for proving lower bounds on the local orthogonality dimension. We prove that graphs for which topological methods imply a lower bound of $t$ on their chromatic number have local orthogonality dimension at least $\lceil t/2 \rceil +1$ over every field, strengthening a result of Simonyi and Tardos on the local chromatic number. We show that for certain graphs this lower bound is tight, whereas for others, the local orthogonality dimension over the reals is equal to the chromatic number. More generally, we prove that for every complement of a line graph, the local orthogonality dimension over $\mathbb{R}$ coincides with the chromatic number. This strengthens a recent result by Daneshpajouh, Meunier, and Mizrahi, who proved that the local and standard chromatic numbers of these graphs are equal. As another extension of their result, we prove that the local and standard chromatic numbers are equal for some additional graphs, from the family of Kneser graphs. We also show an $\mathsf{NP}$-hardness result for the local orthogonality dimension and present an application of this graph parameter to the index coding problem from information theory.

Nonsmooth composite optimization with orthogonality constraints has a broad spectrum of applications in statistical learning and data science. However, this problem is generally challenging to solve due to its non-convex and non-smooth nature. Existing solutions are limited by one or more of the following restrictions: (i) they are full gradient methods that require high computational costs in each iteration; (ii) they are not capable of solving general nonsmooth composite problems; (iii) they are infeasible methods and can only achieve the feasibility of the solution at the limit point; (iv) they lack rigorous convergence guarantees; (v) they only obtain weak optimality of critical points. In this paper, we propose \textit{\textbf{OBCD}}, a new Block Coordinate Descent method for solving general nonsmooth composite problems under Orthogonality constraints. \textit{\textbf{OBCD}} is a feasible method with low computation complexity footprints. In each iteration, our algorithm updates $k$ rows of the solution matrix ($k\geq2$ is a parameter) to preserve the constraints. Then, it solves a small-sized nonsmooth composite optimization problem under orthogonality constraints either exactly or approximately. We demonstrate that any exact block-$k$ stationary point is always an approximate block-$k$ stationary point, which is equivalent to the critical stationary point. We are particularly interested in the case where $k=2$ as the resulting subproblem reduces to a one-dimensional nonconvex problem. We propose a breakpoint searching method and a fifth-order iterative method to solve this problem efficiently and effectively. We also propose two novel greedy strategies to find a good working set to further accelerate the convergence of \textit{\textbf{OBCD}}. Finally, we have conducted extensive experiments on several tasks to demonstrate the superiority of our approach.

We study a class of generalized linear programs (GLP) in a large-scale setting, which includes simple, possibly nonsmooth convex regularizer and simple convex set constraints. By reformulating (GLP) as an equivalent convex-concave min-max problem, we show that the linear structure in the problem can be used to design an efficient, scalable first-order algorithm, to which we give the name \emph{Coordinate Linear Variance Reduction} (\textsc{clvr}; pronounced "clever"). \textsc{clvr} yields improved complexity results for (GLP) that depend on the max row norm of the linear constraint matrix in (GLP) rather than the spectral norm. When the regularization terms and constraints are separable, \textsc{clvr} admits an efficient lazy update strategy that makes its complexity bounds scale with the number of nonzero elements of the linear constraint matrix in (GLP) rather than the matrix dimensions. On the other hand, for the special case of linear programs, by exploiting sharpness, we propose a restart scheme for \textsc{clvr} to obtain empirical linear convergence. Then we show that Distributionally Robust Optimization (DRO) problems with ambiguity sets based on both $f$-divergence and Wasserstein metrics can be reformulated as (GLPs) by introducing sparsely connected auxiliary variables. We complement our theoretical guarantees with numerical experiments that verify our algorithm's practical effectiveness, in terms of wall-clock time and number of data passes.