Motivated by recent works on streaming algorithms for constraint satisfaction problems (CSPs), we define and analyze oblivious algorithms for the Max-$k$AND problem. This generalizes the definition by Feige and Jozeph (Algorithmica '15) of oblivious algorithms for Max-DICUT, a special case of Max-$2$AND. Oblivious algorithms round each variable with probability depending only on a quantity called the variable's bias. For each oblivious algorithm, we design a so-called "factor-revealing linear program" (LP) which captures its worst-case instance, generalizing one of Feige and Jozeph for Max-DICUT. Then, departing from their work, we perform a fully explicit analysis of these (infinitely many!) LPs. In particular, we show that for all $k$, oblivious algorithms for Max-$k$AND provably outperform a special subclass of algorithms we call "superoblivious" algorithms. Our result has implications for streaming algorithms: Generalizing the result for Max-DICUT of Saxena, Singer, Sudan, and Velusamy (SODA'23), we prove that certain separation results hold between streaming models for infinitely many CSPs: for every $k$, $O(\log n)$-space sketching algorithms for Max-$k$AND known to be optimal in $o(\sqrt n)$-space can be beaten in (a) $O(\log n)$-space under a random-ordering assumption, and (b) $O(n^{1-1/k} D^{1/k})$ space under a maximum-degree-$D$ assumption. Even in the previously-known case of Max-DICUT, our analytic proof gives a fuller, computer-free picture of these separation results.
In this work, we explore a framework for contextual decision-making to study how the relevance and quantity of past data affects the performance of a data-driven policy. We analyze a contextual Newsvendor problem in which a decision-maker needs to trade-off between an underage and an overage cost in the face of uncertain demand. We consider a setting in which past demands observed under ``close by'' contexts come from close by distributions and analyze the performance of data-driven algorithms through a notion of context-dependent worst-case expected regret. We analyze the broad class of Weighted Empirical Risk Minimization (WERM) policies which weigh past data according to their similarity in the contextual space. This class includes classical policies such as ERM, k-Nearest Neighbors and kernel-based policies. Our main methodological contribution is to characterize exactly the worst-case regret of any WERM policy on any given configuration of contexts. To the best of our knowledge, this provides the first understanding of tight performance guarantees in any contextual decision-making problem, with past literature focusing on upper bounds via concentration inequalities. We instead take an optimization approach, and isolate a structure in the Newsvendor loss function that allows to reduce the infinite-dimensional optimization problem over worst-case distributions to a simple line search. This in turn allows us to unveil fundamental insights that were obfuscated by previous general-purpose bounds. We characterize actual guaranteed performance as a function of the contexts, as well as granular insights on the learning curve of algorithms.
Given a graph, the $k$-plex is a vertex set in which each vertex is not adjacent to at most $k-1$ other vertices in the set. The maximum $k$-plex problem, which asks for the largest $k$-plex from a given graph, is an important but computationally challenging problem in applications like graph search and community detection. So far, there is a number of empirical algorithms without sufficient theoretical explanations on the efficiency. We try to bridge this gap by defining a novel parameter of the input instance, $g_k(G)$, the gap between the degeneracy bound and the size of maximum $k$-plex in the given graph, and presenting an exact algorithm parameterized by $g_k(G)$. In other words, we design an algorithm with running time polynomial in the size of input graph and exponential in $g_k(G)$ where $k$ is a constant. Usually, $g_k(G)$ is small and bounded by $O(\log{(|V|)})$ in real-world graphs, indicating that the algorithm runs in polynomial time. We also carry out massive experiments and show that the algorithm is competitive with the state-of-the-art solvers. Additionally, for large $k$ values such as $15$ and $20$, our algorithm has superior performance over existing algorithms.
The equilibrium configuration of a plasma in an axially symmetric reactor is described mathematically by a free boundary problem associated with the celebrated Grad--Shafranov equation. The presence of uncertainty in the model parameters introduces the need to quantify the variability in the predictions. This is often done by computing a large number of model solutions on a computational grid for an ensemble of parameter values and then obtaining estimates for the statistical properties of solutions. In this study, we explore the savings that can be obtained using multilevel Monte Carlo methods, which reduce costs by performing the bulk of the computations on a sequence of spatial grids that are coarser than the one that would typically be used for a simple Monte Carlo simulation. We examine this approach using both a set of uniformly refined grids and a set of adaptively refined grids guided by a discrete error estimator. Numerical experiments show that multilevel methods dramatically reduce the cost of simulation, with cost reductions typically on the order of 60 or more and possibly as large as 200. Adaptive gridding results in more accurate computation of geometric quantities such as x-points associated with the model.
This survey explores modern approaches for computing low-rank approximations of high-dimensional matrices by means of the randomized SVD, randomized subspace iteration, and randomized block Krylov iteration. The paper compares the procedures via theoretical analyses and numerical studies to highlight how the best choice of algorithm depends on spectral properties of the matrix and the computational resources available. Despite superior performance for many problems, randomized block Krylov iteration has not been widely adopted in computational science. This paper strengthens the case for this method in three ways. First, it presents new pseudocode that can significantly reduce computational costs. Second, it provides a new analysis that yields simple, precise, and informative error bounds. Last, it showcases applications to challenging scientific problems, including principal component analysis for genetic data and spectral clustering for molecular dynamics data.
In stochastic zeroth-order optimization, a problem of practical relevance is understanding how to fully exploit the local geometry of the underlying objective function. We consider a fundamental setting in which the objective function is quadratic, and provide the first tight characterization of the optimal Hessian-dependent sample complexity. Our contribution is twofold. First, from an information-theoretic point of view, we prove tight lower bounds on Hessian-dependent complexities by introducing a concept called energy allocation, which captures the interaction between the searching algorithm and the geometry of objective functions. A matching upper bound is obtained by solving the optimal energy spectrum. Then, algorithmically, we show the existence of a Hessian-independent algorithm that universally achieves the asymptotic optimal sample complexities for all Hessian instances. The optimal sample complexities achieved by our algorithm remain valid for heavy-tailed noise distributions, which are enabled by a truncation method.
Algorithms for solving the linear classification problem have a long history, dating back at least to 1936 with linear discriminant analysis. For linearly separable data, many algorithms can obtain the exact solution to the corresponding 0-1 loss classification problem efficiently, but for data which is not linearly separable, it has been shown that this problem, in full generality, is NP-hard. Alternative approaches all involve approximations of some kind, including the use of surrogates for the 0-1 loss (for example, the hinge or logistic loss) or approximate combinatorial search, none of which can be guaranteed to solve the problem exactly. Finding efficient algorithms to obtain an exact i.e. globally optimal solution for the 0-1 loss linear classification problem with fixed dimension, remains an open problem. In research we report here, we detail the construction of a new algorithm, incremental cell enumeration (ICE), that can solve the 0-1 loss classification problem exactly in polynomial time. To our knowledge, this is the first, rigorously-proven polynomial time algorithm for this long-standing problem.
State-space models (SSMs) are a powerful statistical tool for modelling time-varying systems via a latent state. In these models, the latent state is never directly observed. Instead, a sequence of data points related to the state are obtained. The linear-Gaussian state-space model is widely used, since it allows for exact inference when all model parameters are known, however this is rarely the case. The estimation of these parameters is a very challenging but essential task to perform inference and prediction. In the linear-Gaussian model, the state dynamics are described via a state transition matrix. This model parameter is known to behard to estimate, since it encodes the relationships between the state elements, which are never observed. In many applications, this transition matrix is sparse since not all state components directly affect all other state components. However, most parameter estimation methods do not exploit this feature. In this work we propose SpaRJ, a fully probabilistic Bayesian approach that obtains sparse samples from the posterior distribution of the transition matrix. Our method explores sparsity by traversing a set of models that exhibit differing sparsity patterns in the transition matrix. Moreover, we also design new effective rules to explore transition matrices within the same level of sparsity. This novel methodology has strong theoretical guarantees, and unveils the latent structure of the data generating process, thereby enhancing interpretability. The performance of SpaRJ is showcased in example with dimension 144 in the parameter space, and in a numerical example with real data.
Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.
Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this achievement, the design and training of neural networks are still challenging and unpredictable procedures. To lower the technical thresholds for common users, automated hyper-parameter optimization (HPO) has become a popular topic in both academic and industrial areas. This paper provides a review of the most essential topics on HPO. The first section introduces the key hyper-parameters related to model training and structure, and discusses their importance and methods to define the value range. Then, the research focuses on major optimization algorithms and their applicability, covering their efficiency and accuracy especially for deep learning networks. This study next reviews major services and toolkits for HPO, comparing their support for state-of-the-art searching algorithms, feasibility with major deep learning frameworks, and extensibility for new modules designed by users. The paper concludes with problems that exist when HPO is applied to deep learning, a comparison between optimization algorithms, and prominent approaches for model evaluation with limited computational resources.
Graph convolutional network (GCN) has been successfully applied to many graph-based applications; however, training a large-scale GCN remains challenging. Current SGD-based algorithms suffer from either a high computational cost that exponentially grows with number of GCN layers, or a large space requirement for keeping the entire graph and the embedding of each node in memory. In this paper, we propose Cluster-GCN, a novel GCN algorithm that is suitable for SGD-based training by exploiting the graph clustering structure. Cluster-GCN works as the following: at each step, it samples a block of nodes that associate with a dense subgraph identified by a graph clustering algorithm, and restricts the neighborhood search within this subgraph. This simple but effective strategy leads to significantly improved memory and computational efficiency while being able to achieve comparable test accuracy with previous algorithms. To test the scalability of our algorithm, we create a new Amazon2M data with 2 million nodes and 61 million edges which is more than 5 times larger than the previous largest publicly available dataset (Reddit). For training a 3-layer GCN on this data, Cluster-GCN is faster than the previous state-of-the-art VR-GCN (1523 seconds vs 1961 seconds) and using much less memory (2.2GB vs 11.2GB). Furthermore, for training 4 layer GCN on this data, our algorithm can finish in around 36 minutes while all the existing GCN training algorithms fail to train due to the out-of-memory issue. Furthermore, Cluster-GCN allows us to train much deeper GCN without much time and memory overhead, which leads to improved prediction accuracy---using a 5-layer Cluster-GCN, we achieve state-of-the-art test F1 score 99.36 on the PPI dataset, while the previous best result was 98.71 by [16]. Our codes are publicly available at //github.com/google-research/google-research/tree/master/cluster_gcn.