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Christopher Musco

Publications and source records attributed to Christopher Musco.

At least 19 recordsLinked to original sources

A recursive butterfly factorization with optimality guarantees

We formalize a recursive format for representing a butterfly matrix. This new format naturally leads to a simple recursive algorithm for computing a quasi-optimal butterfly approximation to an arbitrary $N \times N$ matrix $A$. When the entries of $A$ are explicitly available, we show that the algorithm computes a butterfly matrix $B$ in $O(N^2)$ operations with approximation error $\|A - B\|_F$ at most a $O(\sqrt{\log(N)})$ factor away from that of the best possible approximation by a butterfly matrix. We also develop a matrix-free variant of the method, which uses $\widetilde{O}(\sqrt{N})$ matrix-vector products and $\widetilde{O}(N)$ working memory and, with high probability, returns a butterfly approximation with Frobenius norm error within a $O(N^{1/4})$-factor of the optimal error. We show that the algorithm is a reformulation of the hybrid butterfly factorization approach presented in [Liu et. al.; SISC, 43 (2021)]. Our paper therefore provides the first theoretical quasi-optimality guarantee for that algorithm.

math.NA

Almost Navigable Graphs

Graph-based methods like HNSW, DiskANN, NSG, and others have become an increasingly popular choice for implementing approximate nearest neighbor search (ANNS) in Vector Databases (VecDBs). The success of these methods has motivated the study of how to best construct a search graph for a given dataset. To that end, \emph{navigability} has been identified as a desirable graph property which ensures good ANNS performance when combined with greedy search. However, for a dataset with $n$ vectors, the sparsest navigable graph requires $O(n\sqrt{n})$ edges in the worst-case, and we show empirically that, for typical billion node datasets, 100s of edges are needed per node. This leads to slow search and high memory requirements. Moreover, under standard complexity theoretical assumptions, it was recently established that constructing a sparse navigable graph requires $\Omega(n^{2-\epsilon})$ time, which is prohibitive for large datasets. We address these concerns by introducing a relaxed notation of navigability called ``$\gamma$-almost navigability'' for any $\gamma \in [0,1]$, with $\gamma = 1$ corresponding to full navigability. We prove that any dataset (under any distance) admits a $\gamma$-almost navigable graph with just $O\left(\frac{n}{1-\gamma}\right)$ edges, linear in the dataset size. We present a randomized algorithm for constructing such a graph in near-linear time. While we prove that $\gamma$-almost navigability sacrifices the worst-case search guarantees enjoyed by navigability, we show empirically that greedy beam search still performs well in such graphs when $\gamma < 1$. Indeed, we obtain improved recall-runtime tradeoffs on a variety of datasets compared to fully navigable graphs. Moreover, our graphs are more space efficient, with degree typically less than half that of a fully navigable graph for comparable performance.

cs.DS

Spectral density estimation for normal matrices

The spectral density estimation problem asks for an algorithm that, given an $n\times n$ matrix $A$, outputs a probability measure that is a good approximation to the uniform distribution on the eigenvalues of $A$, called the spectral density of $A$. This paper considers the setting where $A$ is a large normal matrix that is accessible only through matrix-vector product queries. We provide an algorithm that makes just $m$ matrix-vector queries to $A$ and returns, with high probability, a measure within earth mover's distance $O(1/m+\log m/{\sqrt n})$ of the true spectral density of $A$. We provide a complementary lower bound that any algorithm producing an $\varepsilon$-approximation to the true spectral density for large matrices must make $\Omega(1/\varepsilon)$ matrix-vector queries. The lower bound holds even for the more restricted case of real symmetric input matrices. In combination with our upper bound, it shows that spectral density estimation is essentially no harder for complex normal matrices than for real symmetric matrices.

math.NA

PolySHAP: Extending KernelSHAP with Interaction-Informed Polynomial Regression

Shapley values have emerged as a central game-theoretic tool in explainable AI (XAI). However, computing Shapley values exactly requires $2^d$ game evaluations for a model with $d$ features. Lundberg and Lee's KernelSHAP algorithm has emerged as a leading method for avoiding this exponential cost. KernelSHAP approximates Shapley values by approximating the game as a linear function, which is fit using a small number of game evaluations for random feature subsets. In this work, we extend KernelSHAP by approximating the game via higher degree polynomials, which capture non-linear interactions between features. Our resulting PolySHAP method yields empirically better Shapley value estimates for various benchmark datasets, and we prove that these estimates are consistent. Moreover, we connect our approach to paired sampling (antithetic sampling), a ubiquitous modification to KernelSHAP that improves empirical accuracy. We prove that paired sampling outputs exactly the same Shapley value approximations as second-order PolySHAP, without ever fitting a degree 2 polynomial. To the best of our knowledge, this finding provides the first strong theoretical justification for the excellent practical performance of the paired sampling heuristic.

cs.AI

An Exact Algorithm for the Unanimous Vote Problem

Consider $n$ independent, biased coins, each with a known probability of heads. Presented with an ordering of these coins, flip (i.e., toss) each coin once, in that order, until we have observed both a *head* and a *tail*, or flipped all coins. The Unanimous Vote problem asks us to find the ordering that minimizes the expected number of flips. Gkenosis et al. [arXiv:1806.10660] gave a polynomial-time $\phi$-approximation algorithm for this problem, where $\phi \approx 1.618$ is the golden ratio. They left open whether the problem was NP-hard. We answer this question by giving an exact algorithm that runs in time $O(n \log n)$. The Unanimous Vote problem is an instance of the more general Stochastic Boolean Function Evaluation problem: it thus becomes one of the only such problems known to be solvable in polynomial time. Our proof uses simple interchange arguments to show that the optimal ordering must be close to the ordering produced by a natural greedy algorithm. Beyond our main result, we compare the optimal ordering with the best adaptive strategy, proving a tight adaptivity gap of $1.2\pm o(1)$ for the Unanimous Vote problem.

cs.DS

Does block size matter in randomized block Krylov low-rank approximation?

We study the problem of computing a rank-$k$ approximation of a matrix using randomized block Krylov iteration. Prior work has shown that, for block size $b = 1$ or $b = k$, a $(1 + \varepsilon)$-factor approximation to the best rank-$k$ approximation can be obtained after $\tilde O(k/\sqrt{\varepsilon})$ matrix-vector products with the target matrix. On the other hand, when $b$ is between $1$ and $k$, the best known bound on the number of matrix-vector products scales with $b(k-b)$, which could be as large as $O(k^2)$. Nevertheless, in practice, the performance of block Krylov methods is often optimized by choosing a block size $1 \ll b \ll k$. We resolve this theory-practice gap by proving that randomized block Krylov iteration produces a $(1 + \varepsilon)$-factor approximate rank-$k$ approximation using $\tilde O(k/\sqrt{\varepsilon})$ matrix-vector products for any block size $1\le b\le k$. Our analysis relies on new bounds for the minimum singular value of a random block Krylov matrix, which may be of independent interest. Similar bounds are central to recent breakthroughs on faster algorithms for sparse linear systems [Peng & Vempala, SODA 2021; Nie, STOC 2022].

cs.DS

Query Efficient Structured Matrix Learning

We study the problem of learning a structured approximation (low-rank, sparse, banded, etc.) to an unknown matrix $A$ given access to matrix-vector product (matvec) queries of the form $x \rightarrow Ax$ and $x \rightarrow A^Tx$. This problem is of central importance to algorithms across scientific computing and machine learning, with applications to fast multiplication and inversion for structured matrices, building preconditioners for first-order optimization, and as a model for differential operator learning. Prior work focuses on obtaining query complexity upper and lower bounds for learning specific structured matrix families that commonly arise in applications. We initiate the study of the problem in greater generality, aiming to understand the query complexity of learning approximations from general matrix families. Our main result focuses on finding a near-optimal approximation to $A$ from any finite-sized family of matrices, $\mathcal{F}$. Standard results from matrix sketching show that $O(\log|\mathcal{F}|)$ matvec queries suffice in this setting. This bound can also be achieved, and is optimal, for vector-matrix-vector queries of the form $x,y\rightarrow x^TAy$, which have been widely studied in work on rank-$1$ matrix sensing. Surprisingly, we show that, in the matvec model, it is possible to obtain a nearly quadratic improvement in complexity, to $\tilde{O}(\sqrt{\log|\mathcal{F}|})$. Further, we prove that this bound is tight up to log-log factors. Via covering number arguments, our result extends to well-studied infinite families. As an example, we establish that a near-optimal approximation from any \emph{linear matrix family} of dimension $q$ can be learned with $\tilde{O}(\sqrt{q})$ matvec queries, improving on an $O(q)$ bound achievable via sketching techniques and vector-matrix-vector queries.

cs.DS

Efficiently Constructing Sparse Navigable Graphs

Graph-based nearest neighbor search methods have seen a surge of popularity in recent years, offering state-of-the-art performance across a wide variety of applications. Central to these methods is the task of constructing a sparse navigable search graph for a given dataset endowed with a distance function. Unfortunately, doing so is computationally expensive, so heuristics are universally used in practice. In this work, we initiate the study of fast algorithms with provable guarantees for search graph construction. For a dataset with $n$ data points, the problem of constructing an optimally sparse navigable graph can be framed as $n$ separate but highly correlated minimum set cover instances. This yields a naive $O(n^3)$ time greedy algorithm that returns a navigable graph whose sparsity is at most $O(\log n)$ higher than optimal. We improve significantly on this baseline, taking advantage of correlation between the set cover instances to leverage techniques from streaming and sublinear-time set cover algorithms. By also introducing problem-specific pre-processing techniques, we obtain an $\tilde{O}(n^2)$ time algorithm for constructing an $O(\log n)$-approximate sparsest navigable graph under any distance function. The runtime of our method is optimal up to logarithmic factors under the Strong Exponential Time Hypothesis via a reduction from Monochromatic Closest Pair. Moreover, we prove that, as with general set cover, obtaining better than an $O(\log n)$-approximation is NP-hard, despite the significant additional structure present in the navigable graph problem. Finally, we show that our approach can also beat cubic time for the closely related and practically important problems of constructing $\alpha$-shortcut reachable and $\tau$-monotonic graphs, which are also used for nearest neighbor search. For such graphs, we obtain $\tilde{O}(n^{2.5})$ time or better algorithms.

cs.DS

Regression-adjusted Monte Carlo Estimators for Shapley Values and Probabilistic Values

With origins in game theory, probabilistic values like Shapley values, Banzhaf values, and semi-values have emerged as a central tool in explainable AI. They are used for feature attribution, data attribution, data valuation, and more. Since all of these values require exponential time to compute exactly, research has focused on efficient approximation methods using two techniques: Monte Carlo sampling and linear regression formulations. In this work, we present a new way of combining both of these techniques. Our approach is more flexible than prior algorithms, allowing for linear regression to be replaced with any function family whose probabilistic values can be computed efficiently. This allows us to harness the accuracy of tree-based models like XGBoost, while still producing unbiased estimates. From experiments across eight datasets, we find that our methods give state-of-the-art performance for estimating probabilistic values. For Shapley values, the error of our methods can be $6.5\times$ lower than Permutation SHAP (the most popular Monte Carlo method), $3.8\times$ lower than Kernel SHAP (the most popular linear regression method), and $2.6\times$ lower than Leverage SHAP (the prior state-of-the-art Shapley value estimator). For more general probabilistic values, we can obtain error $215\times$ lower than the best estimator from prior work.

cs.LG

The Polar Express: Optimal Matrix Sign Methods and Their Application to the Muon Algorithm

Computing the polar decomposition and the related matrix sign function has been a well-studied problem in numerical analysis for decades. Recently, it has emerged as an important subroutine within the Muon optimizer for training deep neural networks. However, the requirements of this application differ sharply from classical settings: deep learning demands GPU-friendly algorithms that prioritize high throughput over high precision. We introduce Polar Express, a new method for computing the polar decomposition. Like Newton-Schulz and other classical polynomial methods, our approach uses only matrix-matrix multiplications, making it very efficient on GPUs. Inspired by earlier work of Chen & Chow and Nakatsukasa & Freund, Polar Express adapts the update rule at each iteration by solving a minimax optimization problem. We prove that this strategy minimizes error in a worst-case sense, allowing Polar Express to converge as rapidly as possible both in the early iterations and asymptotically. We also address finite-precision issues, making it practical to use in bfloat16. When integrated into Muon, our method yields consistent improvements in validation loss for a GPT-2 model trained on one to ten billion tokens from the FineWeb dataset, outperforming recent alternatives across a range of learning rates.

cs.LG

Quasi-optimal hierarchically semi-separable matrix approximation

We present a randomized algorithm for producing a quasi-optimal hierarchically semi-separable (HSS) approximation to an $N\times N$ matrix $A$ using only matrix-vector products with $A$ and $A^T$. We prove that, using $O(k \log(N/k))$ matrix-vector products and ${O}(N k^2 \log(N/k))$ additional runtime, the algorithm returns an HSS matrix $B$ with rank-$k$ blocks whose expected Frobenius norm error $\mathbb{E}[\|A - B\|_F^2]$ is at most $O(\log(N/k))$ times worse than the best possible approximation error by an HSS rank-$k$ matrix. In fact, the algorithm we analyze in a simple modification of an empirically effective method proposed by [Levitt & Martinsson, SISC 2024]. As a stepping stone towards our main result, we prove two results that are of independent interest: a similar guarantee for a variant of the algorithm which accesses $A$'s entries directly, and explicit error bounds for near-optimal subspace approximation using projection-cost-preserving sketches. To the best of our knowledge, our analysis constitutes the first polynomial-time quasi-optimality result for HSS matrix approximation, both in the explicit access model and the matrix-vector product query model.

math.NA

Distance Adaptive Beam Search for Provably Accurate Graph-Based Nearest Neighbor Search

Nearest neighbor search is central in machine learning, information retrieval, and databases. For high-dimensional datasets, graph-based methods such as HNSW, DiskANN, and NSG have become popular thanks to their empirical accuracy and efficiency. These methods construct a directed graph over the dataset and perform beam search on the graph to find nodes close to a given query. While significant work has focused on practical refinements and theoretical understanding of graph-based methods, many questions remain. We propose a new distance-based termination condition for beam search to replace the commonly used condition based on beam width. We prove that, as long as the search graph is navigable, our resulting Adaptive Beam Search method is guaranteed to approximately solve the nearest-neighbor problem, establishing a connection between navigability and the performance of graph-based search. We also provide extensive experiments on our new termination condition for both navigable graphs and approximately navigable graphs used in practice, such as HNSW and Vamana graphs. We find that Adaptive Beam Search outperforms standard beam search over a range of recall values, data sets, graph constructions, and target number of nearest neighbors. It thus provides a simple and practical way to improve the performance of popular methods.

cs.IR

Randomized block-Krylov subspace methods for low-rank approximation of matrix functions

The randomized SVD is a method to compute an inexpensive, yet accurate, low-rank approximation of a matrix. The algorithm assumes access to the matrix through matrix-vector products (matvecs). Therefore, when we would like to apply the randomized SVD to a matrix function, $f(A)$, one needs to approximate matvecs with $f(A)$ using some other algorithm, which is typically treated as a black-box. Chen and Hallman (SIMAX 2023) argued that, in the common setting where matvecs with $f(A)$ are approximated using Krylov subspace methods (KSMs), a more efficient low-rank approximation is possible if we open this black-box. They present an alternative approach that significantly outperforms the naive combination of KSMs with the randomized SVD, although the method lacked theoretical justification. In this work, we take a closer look at the method, and provide strong and intuitive error bounds that justify its excellent performance for low-rank approximation of matrix functions.

math.NA

Matrix Product Sketching via Coordinated Sampling

We revisit the well-studied problem of approximating a matrix product, $\mathbf{A}^T\mathbf{B}$, based on small space sketches $\mathcal{S}(\mathbf{A})$ and $\mathcal{S}(\mathbf{B})$ of $\mathbf{A} \in \R^{n \times d}$ and $\mathbf{B}\in \R^{n \times m}$. We are interested in the setting where the sketches must be computed independently of each other, except for the use of a shared random seed. We prove that, when $\mathbf{A}$ and $\mathbf{B}$ are sparse, methods based on \emph{coordinated random sampling} can outperform classical linear sketching approaches, like Johnson-Lindenstrauss Projection or CountSketch. For example, to obtain Frobenius norm error $\epsilon\|\mathbf{A}\|_F\|\mathbf{B}\|_F$, coordinated sampling requires sketches of size $O(s/\epsilon^2)$ when $\mathbf{A}$ and $\mathbf{B}$ have at most $s \leq d,m$ non-zeros per row. In contrast, linear sketching leads to sketches of size $O(d/\epsilon^2)$ and $O(m/\epsilon^2)$ for $\mathbf{A}$ and $\mathbf{B}$. We empirically evaluate our approach on two applications: 1) distributed linear regression in databases, a problem motivated by tasks like dataset discovery and augmentation, and 2) approximating attention matrices in transformer-based language models. In both cases, our sampling algorithms yield an order of magnitude improvement over linear sketching.

cs.DS

Improved Spectral Density Estimation via Explicit and Implicit Deflation

We study algorithms for approximating the spectral density of a symmetric matrix $A$ that is accessed through matrix-vector product queries. By combining a previously studied Chebyshev polynomial moment matching method with a deflation step that approximately projects off the largest magnitude eigendirections of $A$ before estimating the spectral density, we give an $\epsilon\cdot\sigma_\ell(A)$ error approximation to the spectral density in the Wasserstein-$1$ metric using $O(\ell\log n+ 1/\epsilon)$ matrix-vector products, where $\sigma_\ell(A)$ is the $\ell^{th}$ largest singular value of $A$. In the common case when $A$ exhibits fast singular value decay, our bound can be much stronger than prior work, which gives an error bound of $\epsilon \cdot ||A||_2$ using $O(1/\epsilon)$ matrix-vector products. We also show that it is nearly tight: any algorithm giving error $\epsilon \cdot \sigma_\ell(A)$ must use $\Omega(\ell+1/\epsilon)$ matrix-vector products. We further show that the popular Stochastic Lanczos Quadrature (SLQ) method matches the above bound, even though SLQ itself is parameter-free and performs no explicit deflation. This bound explains the strong practical performance of SLQ, and motivates a simple variant of SLQ that achieves an even tighter error bound. Our error bound for SLQ leverages an analysis that views it as an implicit polynomial moment matching method, along with recent results on low-rank approximation with single-vector Krylov methods. We use these results to show that the method can perform implicit deflation as part of moment matching.

cs.DS

Kernel Banzhaf: A Fast and Robust Estimator for Banzhaf Values

Banzhaf values provide a popular, interpretable alternative to the widely-used Shapley values for quantifying the importance of features in machine learning models. Like Shapley values, computing Banzhaf values exactly requires time exponential in the number of features, necessitating the use of efficient estimators. Existing estimators, however, are limited to Monte Carlo sampling methods. In this work, we introduce Kernel Banzhaf, the first regression-based estimator for Banzhaf values. Our approach leverages a novel regression formulation, whose exact solution corresponds to the exact Banzhaf values. Inspired by the success of Kernel SHAP for Shapley values, Kernel Banzhaf efficiently solves a sampled instance of this regression problem. Through empirical evaluations across eight datasets, we find that Kernel Banzhaf significantly outperforms existing Monte Carlo methods in terms of accuracy, sample efficiency, robustness to noise, and feature ranking recovery. Finally, we complement our experimental evaluation with strong theoretical guarantees on Kernel Banzhaf's performance.

cs.LG

Provably Accurate Shapley Value Estimation via Leverage Score Sampling

Originally introduced in game theory, Shapley values have emerged as a central tool in explainable machine learning, where they are used to attribute model predictions to specific input features. However, computing Shapley values exactly is expensive: for a general model with $n$ features, $O(2^n)$ model evaluations are necessary. To address this issue, approximation algorithms are widely used. One of the most popular is the Kernel SHAP algorithm, which is model agnostic and remarkably effective in practice. However, to the best of our knowledge, Kernel SHAP has no strong non-asymptotic complexity guarantees. We address this issue by introducing Leverage SHAP, a light-weight modification of Kernel SHAP that provides provably accurate Shapley value estimates with just $O(n\log n)$ model evaluations. Our approach takes advantage of a connection between Shapley value estimation and agnostic active learning by employing leverage score sampling, a powerful regression tool. Beyond theoretical guarantees, we show that Leverage SHAP consistently outperforms even the highly optimized implementation of Kernel SHAP available in the ubiquitous SHAP library [Lundberg & Lee, 2017].

cs.LG

Benchmarking Estimators for Natural Experiments: A Novel Dataset and a Doubly Robust Algorithm

Estimating the effect of treatments from natural experiments, where treatments are pre-assigned, is an important and well-studied problem. We introduce a novel natural experiment dataset obtained from an early childhood literacy nonprofit. Surprisingly, applying over 20 established estimators to the dataset produces inconsistent results in evaluating the nonprofit's efficacy. To address this, we create a benchmark to evaluate estimator accuracy using synthetic outcomes, whose design was guided by domain experts. The benchmark extensively explores performance as real world conditions like sample size, treatment correlation, and propensity score accuracy vary. Based on our benchmark, we observe that the class of doubly robust treatment effect estimators, which are based on simple and intuitive regression adjustment, generally outperform other more complicated estimators by orders of magnitude. To better support our theoretical understanding of doubly robust estimators, we derive a closed form expression for the variance of any such estimator that uses dataset splitting to obtain an unbiased estimate. This expression motivates the design of a new doubly robust estimator that uses a novel loss function when fitting functions for regression adjustment. We release the dataset and benchmark in a Python package; the package is built in a modular way to facilitate new datasets and estimators.

stat.ML