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Oct 16

Polynomial-Time Optimal Group Selection via the Double-Commutator Eigenvalue Problem

The algebraic diversity framework generalizes temporal averaging over multiple observations to algebraic group action on a single observation for second-order statistical estimation. The central open problem in this framework is group selection: given an M-dimensional observation with unknown covariance structure, find the finite group whose spectral decomposition best matches the covariance. Naive enumeration of all subgroups of the symmetric group S_M requires exponential time in M. We prove that this combinatorial problem reduces to a generalized eigenvalue problem derived from the double commutator of the covariance matrix, yielding a polynomial-time algorithm with complexity O(d^2M^2 + d^3), where d is the dimension of a generator basis. The minimum eigenvector of the double-commutator matrix directly constructs the optimal group generator in closed form, with no iterative optimization. The reduction is exact: the double-commutator minimum eigenvalue is zero if and only if the optimal generator lies in the span of the basis, and its magnitude provides a certifiable optimality gap when it does not. This problem does not appear in the standard catalogs of computational complexity (Garey and Johnson, 1979) and represents a new class linking group theory, matrix analysis, and statistical estimation. We establish connections to independent component analysis (JADE), structured matrix nearness problems, and simultaneous matrix diagonalization, and we show that the double-commutator formulation is the unique approach that is simultaneously polynomial-time, closed-form, and certifiable. We extend the framework to non-Abelian symmetry recovery via a Sequential GEVP with deflation, and add two identifiability theorems characterizing the commutant-lattice ambiguity and the dichotomy on whether Aut(R) recovers a generative subgroup or only a supergroup.

  • 1 authors
·
May 7

Unconstrained Stochastic CCA: Unifying Multiview and Self-Supervised Learning

The Canonical Correlation Analysis (CCA) family of methods is foundational in multiview learning. Regularised linear CCA methods can be seen to generalise Partial Least Squares (PLS) and be unified with a Generalized Eigenvalue Problem (GEP) framework. However, classical algorithms for these linear methods are computationally infeasible for large-scale data. Extensions to Deep CCA show great promise, but current training procedures are slow and complicated. First we propose a novel unconstrained objective that characterizes the top subspace of GEPs. Our core contribution is a family of fast algorithms for stochastic PLS, stochastic CCA, and Deep CCA, simply obtained by applying stochastic gradient descent (SGD) to the corresponding CCA objectives. Our algorithms show far faster convergence and recover higher correlations than the previous state-of-the-art on all standard CCA and Deep CCA benchmarks. These improvements allow us to perform a first-of-its-kind PLS analysis of an extremely large biomedical dataset from the UK Biobank, with over 33,000 individuals and 500,000 features. Finally, we apply our algorithms to match the performance of `CCA-family' Self-Supervised Learning (SSL) methods on CIFAR-10 and CIFAR-100 with minimal hyper-parameter tuning, and also present theory to clarify the links between these methods and classical CCA, laying the groundwork for future insights.

  • 3 authors
·
Oct 2, 2023

Unification of Signal Transform Theory

We unify the discrete Fourier transform (DFT), discrete cosine transform (DCT), Walsh-Hadamard, Haar wavelet, Karhunen-Loève transform, and several others along with their continuous counterparts (Fourier transform, Fourier series, spherical harmonics, fractional Fourier transform) under one representation-theoretic principle: each is the eigenbasis of every covariance invariant under a specific finite or compact group, with columns constructed from the irreducible matrix elements of the group via the Peter-Weyl theorem. The unification rests on the Algebraic Diversity (AD) framework, which identifies the matched group of a covariance as the foundational object of second-order signal processing. The data-dependent KLT emerges as the trivial-matched-group limit; classical transforms emerge as the cyclic, dihedral, elementary abelian, iterated wreath, and hybrid wreath cases. Composition rules cover direct, wreath, and semidirect products. The Reed-Muller and arithmetic transforms appear as related change-of-basis transforms on the matched group of Walsh-Hadamard. A polynomial-time algorithm for matched-group discovery, the DAD-CAD relaxation cast as a generalized eigenvalue problem in double-commutator form, closes the operational loop: the matched group of any empirical covariance is discovered without expert judgment, with noise-aware variants via the commutativity residual δ and algebraic coloring index α for finite-SNR settings. The fractional Fourier transform is treated as the metaplectic SO(2) case with Hermite-Gauss matched basis, and a structural principle relates matched group size inversely to transform resolution. Modern applications (massive-MIMO, graph neural networks, transformer attention, point cloud and 3D vision, brain connectivity, single-cell genomics, quantum informatics) are sketched with their matched groups.

  • 1 authors
·
May 11

CBD: API-Only LLM Black-Box Unlearning through Controlled Behavioral Divergence

Edge devices increasingly invoke large language models (LLMs) through API services for context aware edge intelligence, while edge generated data may be collected to improve LLMs and may introduce sensitive, copyrighted, harmful, or outdated information into model behavior. Machine unlearning offers a practical way to remove the influence of undesired data without retraining LLMs. However, existing methods still face two gaps. The first is API only black box access, where target model parameters and internal logits are unavailable. The second is how to preserve retained utility when unlearning target data and retained data share highly similar prompt structures or semantic patterns. To address these challenges, we propose Controlled Behavioral Divergence (CBD), an API only black box unlearning framework. CBD uses two auxiliary models to create controlled behavioral divergence between retained inputs and unlearning target inputs, converts this divergence into an unlearning relevance score, and routes unlearning related prompts away from the target LLM. To improve discrimination accuracy under high similarity between target and retained data, CBD constructs a gradient statistics based discriminative basis by estimating empirical Fisher matrices and solving a regularized generalized eigenvalue problem, guiding the unlearning signal toward target specific information rather than shared prompt structures. Compared with eleven white box and gray box unlearning baselines, CBD achieves a better unlearning utility trade off and its performance varies little across settings. On ToFU forget10, CBD approaches the retrained reference on the forget set while raising model utility to 74.90, about 15% above the second best baseline. On WMDP, it lowers hazardous knowledge accuracy to 25.68, near random guessing, while preserving MMLU accuracy of 52.67. Code is at https://github.com/DGL-codes/CBD.

  • 4 authors
·
Jun 25

Quantum Krylov subspace algorithms for ground and excited state energy estimation

Quantum Krylov subspace diagonalization (QKSD) algorithms provide a low-cost alternative to the conventional quantum phase estimation algorithm for estimating the ground and excited-state energies of a quantum many-body system. While QKSD algorithms typically rely on using the Hadamard test for estimating Krylov subspace matrix elements of the form, langle ϕ_i|e^{-iHτ}|ϕ_j rangle, the associated quantum circuits require an ancilla qubit with controlled multi-qubit gates that can be quite costly for near-term quantum hardware. In this work, we show that a wide class of Hamiltonians relevant to condensed matter physics and quantum chemistry contain symmetries that can be exploited to avoid the use of the Hadamard test. We propose a multi-fidelity estimation protocol that can be used to compute such quantities showing that our approach, when combined with efficient single-fidelity estimation protocols, provides a substantial reduction in circuit depth. In addition, we develop a unified theory of quantum Krylov subspace algorithms and present three new quantum-classical algorithms for the ground and excited-state energy estimation problems, where each new algorithm provides various advantages and disadvantages in terms of total number of calls to the quantum computer, gate depth, classical complexity, and stability of the generalized eigenvalue problem within the Krylov subspace.

  • 2 authors
·
Oct 13, 2021

Light Schrödinger Bridge

Despite the recent advances in the field of computational Schr\"odinger Bridges (SB), most existing SB solvers are still heavy-weighted and require complex optimization of several neural networks. It turns out that there is no principal solver which plays the role of simple-yet-effective baseline for SB just like, e.g., k-means method in clustering, logistic regression in classification or Sinkhorn algorithm in discrete optimal transport. We address this issue and propose a novel fast and simple SB solver. Our development is a smart combination of two ideas which recently appeared in the field: (a) parameterization of the Schr\"odinger potentials with sum-exp quadratic functions and (b) viewing the log-Schr\"odinger potentials as the energy functions. We show that combined together these ideas yield a lightweight, simulation-free and theoretically justified SB solver with a simple straightforward optimization objective. As a result, it allows solving SB in moderate dimensions in a matter of minutes on CPU without a painful hyperparameter selection. Our light solver resembles the Gaussian mixture model which is widely used for density estimation. Inspired by this similarity, we also prove an important theoretical result showing that our light solver is a universal approximator of SBs. Furthemore, we conduct the analysis of the generalization error of our light solver. The code for our solver can be found at https://github.com/ngushchin/LightSB

  • 3 authors
·
Oct 2, 2023

Approximating the Top Eigenvector in Random Order Streams

When rows of an n times d matrix A are given in a stream, we study algorithms for approximating the top eigenvector of the matrix {A}^TA (equivalently, the top right singular vector of A). We consider worst case inputs A but assume that the rows are presented to the streaming algorithm in a uniformly random order. We show that when the gap parameter R = σ_1(A)^2/σ_2(A)^2 = Ω(1), then there is a randomized algorithm that uses O(h cdot d cdot polylog(d)) bits of space and outputs a unit vector v that has a correlation 1 - O(1/R) with the top eigenvector v_1. Here h denotes the number of heavy rows in the matrix, defined as the rows with Euclidean norm at least |{A}|_F/d cdot operatorname{polylog(d)}. We also provide a lower bound showing that any algorithm using O(hd/R) bits of space can obtain at most 1 - Ω(1/R^2) correlation with the top eigenvector. Thus, parameterizing the space complexity in terms of the number of heavy rows is necessary for high accuracy solutions. Our results improve upon the R = Ω(log n cdot log d) requirement in a recent work of Price and Xun (FOCS 2024). We note that the algorithm of Price and Xun works for arbitrary order streams whereas our algorithm requires a stronger assumption that the rows are presented in a uniformly random order. We additionally show that the gap requirements in their analysis can be brought down to R = Ω(log^2 d) for arbitrary order streams and R = Ω(log d) for random order streams. The requirement of R = Ω(log d) for random order streams is nearly tight for their analysis as we obtain a simple instance with R = Ω(log d/loglog d) for which their algorithm, with any fixed learning rate, cannot output a vector approximating the top eigenvector v_1.

  • 2 authors
·
Dec 16, 2024

On the Stability of Expressive Positional Encodings for Graph Neural Networks

Designing effective positional encodings for graphs is key to building powerful graph transformers and enhancing message-passing graph neural networks. Although widespread, using Laplacian eigenvectors as positional encodings faces two fundamental challenges: (1) Non-uniqueness: there are many different eigendecompositions of the same Laplacian, and (2) Instability: small perturbations to the Laplacian could result in completely different eigenspaces, leading to unpredictable changes in positional encoding. Despite many attempts to address non-uniqueness, most methods overlook stability, leading to poor generalization on unseen graph structures. We identify the cause of instability to be a "hard partition" of eigenspaces. Hence, we introduce Stable and Expressive Positional Encodings (SPE), an architecture for processing eigenvectors that uses eigenvalues to "softly partition" eigenspaces. SPE is the first architecture that is (1) provably stable, and (2) universally expressive for basis invariant functions whilst respecting all symmetries of eigenvectors. Besides guaranteed stability, we prove that SPE is at least as expressive as existing methods, and highly capable of counting graph structures. Finally, we evaluate the effectiveness of our method on molecular property prediction, and out-of-distribution generalization tasks, finding improved generalization compared to existing positional encoding methods.

  • 7 authors
·
Oct 4, 2023

A Numerical Realization of Suzuki's Weil-Quadratic-Form Operator: The Archimedean Spectral Law, its Universality, and an Operator Form of Weil's Positivity Criterion

This paper presents the first numerical realization of Suzuki's Weil-Quadratic-Form operator, a candidate for the Hilbert--Pólya program linking spectral positivity to the Riemann Hypothesis (RH). Suzuki's 2026 construction was purely theoretical; here, the operator is instantiated via P1 finite-element discretization and Richardson extrapolation. Key results include: (R1) In the prime-free regime, the spectrum follows a closed Archimedean law A_k(a) = log(1/a) + log(k-2) + B_0 + O(a), with B_0 = log q - 2log 2, confirmed to 30-digit precision. (R2) A Mellin double-pole argument proves the head coefficient B(ν) and shows B_0 depends only on the conductor q, independent of the Archimedean parameter. (R2b) The degree d of an L-function appears directly as the logarithmic slope of the spectrum. (R3) Total spectral intensity follows the prime number theorem, S(a) sim (2a)^3/6. (R4) Nontrivial zeros are not eigenvalues but occur in the explicit-formula error term of the prime symbol. (R5) The best-match line σ^*(a) descends toward the critical line. (R6) Weil's positivity criterion is realized in operator form: bounded residual growth corresponds to all zeros on the line, while an injected off-line zero causes exponential blow-up. (R7) The lowest eigenvalue λ_1(a) is strictly positive, decays superexponentially, and passes smoothly through the first prime threshold. (R8) The characteristic function W(a,0;z) is computed for the first time, with all zeros confirmed real. (R9) Indirect traces of GUE statistics appear in the moment structure, even where direct detection is blocked. The authors emphasize that this work does not prove RH. All results are Archimedean and universal, with significance lying in the faithful numerical realization of classical identities rather than new arithmetic.

  • 7 authors
·
Jul 22

Plunge bounds for Fourier concentration operators: geometry, smoothing, and wave packets

We prove a single-logarithm bound for the eigenvalues in the plunge region of Fourier concentration operators, removing the extra logarithmic factor in the Kulikov--Dam Larsen bound for two general admissible sets throughout each fixed exponential window. For bounded spatial and frequency sets A,BsubsetR^d of positive measure with finite upper codimension-one Minkowski boundary content, the number Λ_varepsilon(cA,B) of eigenvalues in (varepsilon,1-varepsilon) satisfies Λ_varepsilon(cA,B)le C(d,A,B,β)c^{d-1}D(1+log_+(c/D)), where D=log(1/(varepsilon(1-varepsilon))), for every fixed β>0, cge2, 0<varepsilon<1/2, and Dleβc, with log_+t=max(0,log t). The argument uses positive band-limited smoothing and requires no symmetry, convexity, or connectedness. In dimension two, the corresponding exponential-window estimate has a constant uniform in the window parameter. We also determine the optimal coordinate-Lipschitz constant d-1 for recursive decompositions of balls and standard simplices in every dimension, and obtain box-frequency estimates with explicit geometric constants. For C^1 convex bodies in three dimensions, the optimal infimum of recursive coordinate slopes is 2. Uniform real-order Bessel estimates give independent disk and ball bounds at every spectral threshold, including an explicit deep-tail term. For smooth strictly convex planar frequency bodies with positive curvature, we prove correlation estimates for aligned Gaussian packets at arbitrary relative scales and quantitative lower bounds on the cost of estimating spatial blocks separately. Together these results connect the global spectral bound with sharp geometric constructions and the cancellation retained by grouping boundary interactions.

  • 1 authors
·
Oct 6

The Implicit Regularization of Dynamical Stability in Stochastic Gradient Descent

In this paper, we study the implicit regularization of stochastic gradient descent (SGD) through the lens of {\em dynamical stability} (Wu et al., 2018). We start by revising existing stability analyses of SGD, showing how the Frobenius norm and trace of Hessian relate to different notions of stability. Notably, if a global minimum is linearly stable for SGD, then the trace of Hessian must be less than or equal to 2/eta, where eta denotes the learning rate. By contrast, for gradient descent (GD), the stability imposes a similar constraint but only on the largest eigenvalue of Hessian. We then turn to analyze the generalization properties of these stable minima, focusing specifically on two-layer ReLU networks and diagonal linear networks. Notably, we establish the {\em equivalence} between these metrics of sharpness and certain parameter norms for the two models, which allows us to show that the stable minima of SGD provably generalize well. By contrast, the stability-induced regularization of GD is provably too weak to ensure satisfactory generalization. This discrepancy provides an explanation of why SGD often generalizes better than GD. Note that the learning rate (LR) plays a pivotal role in the strength of stability-induced regularization. As the LR increases, the regularization effect becomes more pronounced, elucidating why SGD with a larger LR consistently demonstrates superior generalization capabilities. Additionally, numerical experiments are provided to support our theoretical findings.

  • 2 authors
·
May 27, 2023

Spectral-Aware Analytic Class-Incremental Learning for Long-Tailed Distributions

Analytic Continual Learning (ACL) offers a computationally efficient alternative to gradient-based approaches. Recent ACL methods are based on Recursive Least Squares (RLS) and have achieved the state-of-the-art results compared to other alternatives. However, they falter significantly in Class-Incremental Learning scenarios characterized by Long-Tailed distributions. While the ill-conditioning of the autocorrelation (Gram) matrix is a known limitation of RLS, we demonstrate that class imbalance exacerbates this issue into a distinct spectral pathology: "tail" classes suffer from severe spectral collapse, rendering their subspaces numerically indistinguishable from noise. Standard Ridge Regression (L_2) fails to address this effectively as it applies isotropic regularization - a uniform penalty that is insufficient to stabilize the tail without over-shrinking the head. To address this, we propose Geometry-Spectral Rectification (GSR), a theoretically grounded framework that treats long-tailed learning as a spectral regularization problem. Unlike standard isotropic regularization (Ridge) which uniformly penalizes all eigenvalues, GSR acts as an anisotropic spectral filter, selectively inflating the collapsed eigenvalues of tail classes. We construct a structured, data-dependent spectral perturbation matrix Δ that selectively inflates collapsed tail eigen-directions of the Gram matrix. Theoretical analysis proves that GSR guarantees an improved stable rank for the Gram matrix, ensuring numerical stability. Extensive experiments show that GSR establishes a new state-of-the-art for analytic CIL, offering a superior trade-off between computational efficiency and robust generalization in long-tailed settings.

  • 7 authors
·
Jul 23

Uniformly Stable Minimal Weyl--Heisenberg Measurements Approaching the SIC Benchmark

Informational completeness (IC) guarantees that an inverse exists, not that it is statistically well conditioned. For minimal rank-one Weyl--Heisenberg (WH) measurements, covariance makes the nonidentity projector-Gram spectrum proportional to the fiducial's ambiguity intensities, with eigenvalues \(d|χ_ϕ(u)|^2\), turning stability into an explicit worst-direction design problem; write \(λ\) for its smallest nonidentity eigenvalue. Haar fiducials are IC almost surely while \(\mathbb E[λ^{-1}]=\infty\), and an explicit geometric family used to establish balanced informationally complete measurements in every dimension has a normalized spectral floor bounded above by an exponentially decaying envelope. We then construct a hierarchy of minimal measurements. A cyclic family with exactly \(d^2\) outcomes in every integer dimension has floors \(Θ(d^{-3})\) for odd \(d\) and \(Θ(d^{-5})\) for even \(d\); a finite-field family for \(q=2^m\) obeys the uniform bound \(λ\ge4/9\). Our main result treats every prime-power dimension of characteristic \(p\ge5\). A balanced one-coordinate perturbation repairs the zero ambiguity axis of a cubic Alltop state, gives an attained floor uniformly bounded below by a positive constant, and confines the entire nonidentity spectrum to \([L_q,U_q]\) with \(U_q/L_q\to1\). Its SIC-normalized minimum tends to one, and \(λ(ϕ_q)/Λ_q^\star\to1\) for the global finite-field WH max--min optimum \(Λ_q^\star\), without assuming SIC existence. The complete spectrum determines the exact finite-sample Hilbert--Schmidt error of canonical linear inversion at \(I/d\), while its lower edge controls local Fisher efficiency and canonical-shadow bounds.

  • 2 authors
·
Aug 11

Real-Time Krylov Theory for Quantum Computing Algorithms

Quantum computers provide new avenues to access ground and excited state properties of systems otherwise difficult to simulate on classical hardware. New approaches using subspaces generated by real-time evolution have shown efficiency in extracting eigenstate information, but the full capabilities of such approaches are still not understood. In recent work, we developed the variational quantum phase estimation (VQPE) method, a compact and efficient real-time algorithm to extract eigenvalues on quantum hardware. Here we build on that work by theoretically and numerically exploring a generalized Krylov scheme where the Krylov subspace is constructed through a parametrized real-time evolution, which applies to the VQPE algorithm as well as others. We establish an error bound that justifies the fast convergence of our spectral approximation. We also derive how the overlap with high energy eigenstates becomes suppressed from real-time subspace diagonalization and we visualize the process that shows the signature phase cancellations at specific eigenenergies. We investigate various algorithm implementations and consider performance when stochasticity is added to the target Hamiltonian in the form of spectral statistics. To demonstrate the practicality of such real-time evolution, we discuss its application to fundamental problems in quantum computation such as electronic structure predictions for strongly correlated systems.

  • 6 authors
·
Jun 9, 2023

Cylindric plane partitions, Lambda determinants, Commutants in semicircular systems

This thesis is divided into three parts. The first part deals with cylindric plane partitions. The second with lambda-determinants and the third with commutators in semi-circular systems. For more detailed abstract please see inside. Cylindric plane partitions may be thought of as a natural generalization of reverse plane partitions. A generating series for the enumeration of cylindric plane partitions was recently given by Borodin. The first result of section one is a new bijective proof of Borodin's identity which makes use of Fomin's growth diagram framework for generalized RSK correspondences. The second result is a (q,t)-analog of Borodin's identity which extends previous work by Okada in the reverse plane partition case. The third result is an explicit combinatorial interpretation of the Macdonald weight occurring in the (q,t)-analog using the non-intersecting lattice path model for cylindric plane partitions. Alternating sign matrices were discovered by Robbins and Rumsey whilst studying λ-determinants. In the second part of this thesis we prove a multi-parameter generalization of the λ-determinant, generalizing a recent result by di Francesco. Like the original λ-determinant, our formula exhibits the Laurent phenomenon. Semicircular systems were first introduced by Voiculescu as a part of his study of von Neumann algebras. In the third part of this thesis we study certain commutator subalgebras of the semicircular system. We find a projection matrix with an interesting self-similar structure. Making use of our projection formula we given an alternative, elementary proof that the semicircular system is a factor.

  • 1 authors
·
Oct 25, 2021

Sampling-based sublinear low-rank matrix arithmetic framework for dequantizing quantum machine learning

We present an algorithmic framework for quantum-inspired classical algorithms on close-to-low-rank matrices, generalizing the series of results started by Tang's breakthrough quantum-inspired algorithm for recommendation systems [STOC'19]. Motivated by quantum linear algebra algorithms and the quantum singular value transformation (SVT) framework of Gilyén, Su, Low, and Wiebe [STOC'19], we develop classical algorithms for SVT that run in time independent of input dimension, under suitable quantum-inspired sampling assumptions. Our results give compelling evidence that in the corresponding QRAM data structure input model, quantum SVT does not yield exponential quantum speedups. Since the quantum SVT framework generalizes essentially all known techniques for quantum linear algebra, our results, combined with sampling lemmas from previous work, suffice to generalize all recent results about dequantizing quantum machine learning algorithms. In particular, our classical SVT framework recovers and often improves the dequantization results on recommendation systems, principal component analysis, supervised clustering, support vector machines, low-rank regression, and semidefinite program solving. We also give additional dequantization results on low-rank Hamiltonian simulation and discriminant analysis. Our improvements come from identifying the key feature of the quantum-inspired input model that is at the core of all prior quantum-inspired results: ell^2-norm sampling can approximate matrix products in time independent of their dimension. We reduce all our main results to this fact, making our exposition concise, self-contained, and intuitive.

  • 6 authors
·
Jul 9, 2023

Chebyshev-Exact Acceleration under Hessian Variation, II: Computer-Assisted Variational Lower Bound

We study two-step recurrences with positive step sizes and nonnegative momentum coefficients whose terminal residual is the Chebyshev minimax polynomial on a prescribed spectral interval [μ,L]. These recurrences have the same terminal error on a fixed quadratic, but their first-order responses to stepwise Hessian perturbations can differ. We prove that the sine-Jacobi recurrence of Part I is asymptotically optimal for this response norm within a factor of 1.000004, uniformly over 0<μ<L. Every terminal-exact recurrence satisfies A_Nge(2c_{cert}-o(1))N^{3/2}ε_N^star/(L-μ) with c_{cert}>1.14268353624, whereas the sine-Jacobi recurrence attains the constant 2c_{sin} with c_{sin}<1.14269218. The proof reduces the gain to the diagonal energy of a Jacobi Green matrix. A centering lift represents this matrix by an exponential kernel; packing its diagonal into a density on the line preserves the energy and controls the change in the Birman-Schwinger spectrum. A calibrated identity gives a lower bound using the ground parameter and one Fredholm determinant. Two further determinants and a trace observation improve the bound through a pointwise inequality on an explicit compact state region. One rational certificate verifies this inequality by interval arithmetic. A second certificate constructs a density satisfying the selected observations and both normalizations with energy below the sine value. Finally, no C^1 function of finitely many observations of the specified kinds gives a locally sharp lower bound at the sine density.

  • 2 authors
·
Oct 5

Quantum singular value transformation and beyond: exponential improvements for quantum matrix arithmetics

Quantum computing is powerful because unitary operators describing the time-evolution of a quantum system have exponential size in terms of the number of qubits present in the system. We develop a new "Singular value transformation" algorithm capable of harnessing this exponential advantage, that can apply polynomial transformations to the singular values of a block of a unitary, generalizing the optimal Hamiltonian simulation results of Low and Chuang. The proposed quantum circuits have a very simple structure, often give rise to optimal algorithms and have appealing constant factors, while usually only use a constant number of ancilla qubits. We show that singular value transformation leads to novel algorithms. We give an efficient solution to a certain "non-commutative" measurement problem and propose a new method for singular value estimation. We also show how to exponentially improve the complexity of implementing fractional queries to unitaries with a gapped spectrum. Finally, as a quantum machine learning application we show how to efficiently implement principal component regression. "Singular value transformation" is conceptually simple and efficient, and leads to a unified framework of quantum algorithms incorporating a variety of quantum speed-ups. We illustrate this by showing how it generalizes a number of prominent quantum algorithms, including: optimal Hamiltonian simulation, implementing the Moore-Penrose pseudoinverse with exponential precision, fixed-point amplitude amplification, robust oblivious amplitude amplification, fast QMA amplification, fast quantum OR lemma, certain quantum walk results and several quantum machine learning algorithms. In order to exploit the strengths of the presented method it is useful to know its limitations too, therefore we also prove a lower bound on the efficiency of singular value transformation, which often gives optimal bounds.

  • 4 authors
·
Jun 4, 2018

Solving High Frequency and Multi-Scale PDEs with Gaussian Processes

Machine learning based solvers have garnered much attention in physical simulation and scientific computing, with a prominent example, physics-informed neural networks (PINNs). However, PINNs often struggle to solve high-frequency and multi-scale PDEs, which can be due to spectral bias during neural network training. To address this problem, we resort to the Gaussian process (GP) framework. To flexibly capture the dominant frequencies, we model the power spectrum of the PDE solution with a student t mixture or Gaussian mixture. We apply the inverse Fourier transform to obtain the covariance function (by Wiener-Khinchin theorem). The covariance derived from the Gaussian mixture spectrum corresponds to the known spectral mixture kernel. Next, we estimate the mixture weights in the log domain, which we show is equivalent to placing a Jeffreys prior. It automatically induces sparsity, prunes excessive frequencies, and adjusts the remaining toward the ground truth. Third, to enable efficient and scalable computation on massive collocation points, which are critical to capture high frequencies, we place the collocation points on a grid, and multiply our covariance function at each input dimension. We use the GP conditional mean to predict the solution and its derivatives so as to fit the boundary condition and the equation itself. As a result, we can derive a Kronecker product structure in the covariance matrix. We use Kronecker product properties and multilinear algebra to promote computational efficiency and scalability, without low-rank approximations. We show the advantage of our method in systematic experiments. The code is released at https://github.com/xuangu-fang/Gaussian-Process-Slover-for-High-Freq-PDE.

  • 6 authors
·
Nov 8, 2023

Finite-Precision Symmetric Krylov Methods: Exact Rounding Examples, Block Paige Identities,and a Variable-Block Lanczos Model

Short-recurrence Krylov methods that are equivalent in exact arithmetic often diverge in floating-point arithmetic. To illustrate this, we provide an exactly representable two-cycle for steepest descent with a recursively updated residual. A complementary convergence theorem gives a sufficient condition under which the stored residual decreases geometrically. We then show that a second positive definite family yields different outcomes for a Hestenes--Stiefel Conjugate Gradient (CG) implementation and a direct Lanczos--Galerkin approach. CG finds the exact solution after four updates, whereas the two-step projected system becomes inconsistent. Under stated perturbation and transfer hypotheses, a common spectral enclosure gives comparable convergence bounds. For a dense, left-to-right evaluation order, we prove a sufficient precision bound for a prescribed backward error within n updates for an ntimes n matrix, together with a computable stopping test and specified exponent-range assumptions. We use polynomial estimates and numerical experiments to examine the trade-off between working precision and the number of CG iterations needed to achieve a prescribed backward error. We also compare results on inexact matrix-vector products and preconditioning with the frameworks of Paige and Greenbaum. For block Lanczos, we analyze Householder orthogonalization and singular-value truncation as the block size changes. Under componentwise and normwise error bounds, the computed coefficients satisfy a controlled local recurrence and an exact block Lanczos relation for a nearby symmetric problem in a larger space. A block form of Paige's identity bounds the overlap with a Ritz vector along its residual coordinate direction. An inter-block recurrence describes the evolution of overlap, and a Gram-matrix argument gives a count of additional nearby Ritz values.

  • 1 authors
·
Sep 7

The pseudospectrum for gravitational perturbations in Kerr spacetimes

We study the pseudospectrum of the Kerr black hole for gravitational perturbations with spin weight s=2, the case of greatest interest in gravitational-wave astronomy. In the hyperboloidal framework with two-dimensional Chebyshev collocation, we formulate the quasinormal mode problem as a non-self-adjoint eigenvalue problem. For sneq0 the fields Ψ^{(s)} and Ψ^{(-s)} are independent, so the conserved current method yields no single-field energy norm. We overcome this with the Teukolsky--Starobinsky identities, which relate Ψ^{(-2)} to a fourth-order operator on Ψ^{(2)} and yield an H^2 energy norm after symmetrization. With the H^1 norm known for s=0, this suggests the pattern H^{|s|}, verified for s=0 and s=2. All results use an ω-independent two-field hierarchy. We find that the pseudospectrum tightens by 1.1 to 3.5 decades at each step of L^2to H^1to H^2, yet stays large in every norm. The s=+2 and s=-2 operators are isospectral but not isopseudospectral: at twelve of fourteen probes the ψ_0 resolvent exceeds the ψ_4 one by 0.19 to 0.82 decades in the H^2 norm, while at the two probes furthest along the QNM line the ordering reverses by 0.18 to 0.19 decades. The gravitational pseudospectrum exceeds the scalar one by 0.5 to 5.2 decades in the window minimum and by 5.9 decades in L^2 at ωM=0.47-0.17,i, while along the damping direction the s=2 resolvent is non-monotonic and the s=0 resolvent smooth. QNM spectral instability is therefore a universal feature of Kerr, and is stronger for gravitational perturbations.

  • 3 authors
·
Oct 2

Row-Stochastic Matrices Can Provably Outperform Doubly Stochastic Matrices in Decentralized Learning

Decentralized learning often involves a weighted global loss with heterogeneous node weights λ. We revisit two natural strategies for incorporating these weights: (i) embedding them into the local losses to retain a uniform weight (and thus a doubly stochastic matrix), and (ii) keeping the original losses while employing a λ-induced row-stochastic matrix. Although prior work shows that both strategies target the same λ-weighted global loss, it remains unclear whether the Euclidean-space guarantees are tight and what fundamentally differentiates their behaviors. To clarify this, we develop a weighted Hilbert-space framework L^2(λ;R^d) and obtain convergence rates that are strictly tighter than those from standard Euclidean analysis. In this geometry, the row-stochastic matrix becomes self-adjoint whereas the doubly stochastic one does not, creating additional penalty terms that amplify consensus error, thereby slowing convergence. Consequently, the difference in convergence arises not only from spectral gaps but also from these penalty terms. We then derive sufficient conditions under which the row-stochastic design converges faster even with a smaller spectral gap. Finally, by using a Rayleigh-quotient and Loewner-order eigenvalue comparison, we further obtain topology conditions that guarantee this advantage and yield practical topology-design guidelines.

  • 5 authors
·
May 28

The Spectral Neuron

As machine learned models increase in complexity and expressive power, features of simpler models, such as intrinsic coefficient transparency and control over the shape of the modeled function are lost. On the one edge of the spectrum we have simple linear models that possess coefficient transparency, but have a limited expressive power. On the other edge we have neural networks, that have expressive power that improves with scaling, but are mostly opaque. In this work we develop the spectral neuron concept: a scalar model given by f(x)=λ_k (A_0 + A_1 x + ... + A_n x_n), with learned real symmetric matrices A_0, ..., A_n. The input enters the model through an affine matrix function, but the prediction is obtained by reading one of its eigenvalues. Thus, the model is nonlinear, but the source of nonlinearity is still mathematically explicit. This gives us a useful middle ground: the model can become more expressive as the matrix dimension grows, while retaining coefficient transparency through the learned matrices. For example, extremal eigenvalues yield convex or concave functions, semidefinite constraints on the coefficient matrices impose monotonicity, and the associated eigenspaces characterize local feature influence. We study coefficient transparency, feature-influence bounds, and shape-control properties of this model family, and then test whether it can be learned and scaled in practice. We develop a systematic study of this model family, bringing together spectral results from several mathematical literatures to characterize its expressivity, coefficient transparency, feature influence, and shape-control properties. Code available at https://github.com/alexshtf/spectral_neuron_paper.

  • 1 authors
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Aug 15

Learning Eigenstructures of Unstructured Data Manifolds

We introduce a novel framework that directly learns a spectral basis for shape and manifold analysis from unstructured data, eliminating the need for traditional operator selection, discretization, and eigensolvers. Grounded in optimal-approximation theory, we train a network to decompose an implicit approximation operator by minimizing the reconstruction error in the learned basis over a chosen distribution of probe functions. For suitable distributions, they can be seen as an approximation of the Laplacian operator and its eigendecomposition, which are fundamental in geometry processing. Furthermore, our method recovers in a unified manner not only the spectral basis, but also the implicit metric's sampling density and the eigenvalues of the underlying operator. Notably, our unsupervised method makes no assumption on the data manifold, such as meshing or manifold dimensionality, allowing it to scale to arbitrary datasets of any dimension. On point clouds lying on surfaces in 3D and high-dimensional image manifolds, our approach yields meaningful spectral bases, that can resemble those of the Laplacian, without explicit construction of an operator. By replacing the traditional operator selection, construction, and eigendecomposition with a learning-based approach, our framework offers a principled, data-driven alternative to conventional pipelines. This opens new possibilities in geometry processing for unstructured data, particularly in high-dimensional spaces.

Design Amortization for Bayesian Optimal Experimental Design

Bayesian optimal experimental design is a sub-field of statistics focused on developing methods to make efficient use of experimental resources. Any potential design is evaluated in terms of a utility function, such as the (theoretically well-justified) expected information gain (EIG); unfortunately however, under most circumstances the EIG is intractable to evaluate. In this work we build off of successful variational approaches, which optimize a parameterized variational model with respect to bounds on the EIG. Past work focused on learning a new variational model from scratch for each new design considered. Here we present a novel neural architecture that allows experimenters to optimize a single variational model that can estimate the EIG for potentially infinitely many designs. To further improve computational efficiency, we also propose to train the variational model on a significantly cheaper-to-evaluate lower bound, and show empirically that the resulting model provides an excellent guide for more accurate, but expensive to evaluate bounds on the EIG. We demonstrate the effectiveness of our technique on generalized linear models, a class of statistical models that is widely used in the analysis of controlled experiments. Experiments show that our method is able to greatly improve accuracy over existing approximation strategies, and achieve these results with far better sample efficiency.

  • 3 authors
·
Oct 19, 2022

A Branch-and-Price Approach to a Variant of the Cognitive Radio Resource Allocation Problem

Radio-frequency portion of the electromagnetic spectrum is a scarce resource. Cognitive radio technology has emerged as a promising solution to overcome the spectrum scarcity bottleneck. Through this technology, secondary users (SUs) sense the spectrum opportunities free from primary users (PUs), and opportunistically take advantage of these (temporarily) idle portions, known as spectrum holes. In this correspondence, we consider a variant of the cognitive radio resource allocation problem posed by Martinovic et al. in 2017. The distinguishing feature of this version of the problem is that each SU, due to its hardware limitations, imposes the requirement that the to-be-aggregated spectrum holes cannot be arbitrarily far from each other. We call this restriction as the Maximal Aggregation Range (MAR) constraint, and refer to this variant of the problem as the MAR-constrained hole assignment problem. The problem can be formalized as an NP-hard combinatorial optimization problem. We propose a novel binary integer linear programming (ILP) formulation to the problem. The number of constraints in this formulation is the number of spectrum holes plus the number of SUs. On the other hand, the number of binary decision variables in the formulation can be prohibitively large, as for each legitimate spectrum allocation to each SU, one variable is needed. We propose a branch-and-price (B&P) framework to tackle this challenge. This framework is in fact a branch-and-bound procedure in which at each node of the search tree, we utilize the so-called (delayed) column generation technique for solving the LP relaxation of the corresponding subproblem. As evidenced by the numerical results, the LP relaxation bounds are very tight. This allows for a very effective pruning of the search space. Compared to the previously suggested formulations, the proposed technique can require much less computational effort.

  • 3 authors
·
Apr 26, 2022

A Deep Conjugate Direction Method for Iteratively Solving Linear Systems

We present a novel deep learning approach to approximate the solution of large, sparse, symmetric, positive-definite linear systems of equations. These systems arise from many problems in applied science, e.g., in numerical methods for partial differential equations. Algorithms for approximating the solution to these systems are often the bottleneck in problems that require their solution, particularly for modern applications that require many millions of unknowns. Indeed, numerical linear algebra techniques have been investigated for many decades to alleviate this computational burden. Recently, data-driven techniques have also shown promise for these problems. Motivated by the conjugate gradients algorithm that iteratively selects search directions for minimizing the matrix norm of the approximation error, we design an approach that utilizes a deep neural network to accelerate convergence via data-driven improvement of the search directions. Our method leverages a carefully chosen convolutional network to approximate the action of the inverse of the linear operator up to an arbitrary constant. We train the network using unsupervised learning with a loss function equal to the L^2 difference between an input and the system matrix times the network evaluation, where the unspecified constant in the approximate inverse is accounted for. We demonstrate the efficacy of our approach on spatially discretized Poisson equations with millions of degrees of freedom arising in computational fluid dynamics applications. Unlike state-of-the-art learning approaches, our algorithm is capable of reducing the linear system residual to a given tolerance in a small number of iterations, independent of the problem size. Moreover, our method generalizes effectively to various systems beyond those encountered during training.

  • 6 authors
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May 22, 2022

Identifiability in Two-Layer Sparse Matrix Factorization

Sparse matrix factorization is the problem of approximating a matrix Z by a product of J sparse factors X^{(J)} X^{(J-1)} ldots X^{(1)}. This paper focuses on identifiability issues that appear in this problem, in view of better understanding under which sparsity constraints the problem is well-posed. We give conditions under which the problem of factorizing a matrix into two sparse factors admits a unique solution, up to unavoidable permutation and scaling equivalences. Our general framework considers an arbitrary family of prescribed sparsity patterns, allowing us to capture more structured notions of sparsity than simply the count of nonzero entries. These conditions are shown to be related to essential uniqueness of exact matrix decomposition into a sum of rank-one matrices, with structured sparsity constraints. In particular, in the case of fixed-support sparse matrix factorization, we give a general sufficient condition for identifiability based on rank-one matrix completability, and we derive from it a completion algorithm that can verify if this sufficient condition is satisfied, and recover the entries in the two sparse factors if this is the case. A companion paper further exploits these conditions to derive identifiability properties and theoretically sound factorization methods for multi-layer sparse matrix factorization with support constraints associated to some well-known fast transforms such as the Hadamard or the Discrete Fourier Transforms.

  • 3 authors
·
Nov 16, 2021

Hierarchical Melnikov Realization: Logarithmic Factor Improvement to Hilbert Number Lower Bounds

The second part of Hilbert's 16th problem is one of the most fundamental open problems in the qualitative theory of ordinary differential equations and dynamical systems. A central unresolved question is whether the Hilbert number H(d) is finite for arbitrary polynomial degree d. (A very recent manuscript from OpenAI asserts the finiteness of H(d); see the remark at the end of this paper.) In the absence of a general upper bound theory, most existing work constructs explicit perturbed polynomial systems to obtain improved lower bounds for H(d), while rigorous upper bound estimates remain largely unavailable. This paper focuses on improving the quantitative lower bound for polynomial systems through a systematic Hierarchical Melnikov Realization framework. We construct perturbed dynamics based on an anisotropic Chebyshev Hamiltonian, where hierarchically selected perturbation coefficients generate simple zeros of the first-order Melnikov function simultaneously across multiple disjoint period annuli. Two distinct 3-adic filtrations supply the necessary logarithmic correction factors, and a Borel--Gauss analysis establishes the required local rank condition under sufficiently strong anisotropy. As the main result of this work, we prove that H(d)=Ωbigl(d^2ln^2 dbigr), which improves the previously known lower bound by a factor of ln d. The full construction of limit cycles and the resulting dynamical bounds are formally certified using Lean 4 formal verification.

  • 2 authors
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Oct 7

SpinGQE: A Generative Quantum Eigensolver for Spin Hamiltonians

The ground state search problem is central to quantum computing, with applications spanning quantum chemistry, condensed matter physics, and optimization. The Variational Quantum Eigensolver (VQE) has shown promise for small systems but faces significant limitations. These include barren plateaus, restricted ansatz expressivity, and reliance on domain-specific structure. We present SpinGQE, an extension of the Generative Quantum Eigensolver (GQE) framework to spin Hamiltonians. Our approach reframes circuit design as a generative modeling task. We employ a transformer-based decoder to learn distributions over quantum circuits that produce low-energy states. Training is guided by a weighted mean-squared error loss between model logits and circuit energies evaluated at each gate subsequence. We validate our method on the four-qubit Heisenberg model, demonstrating successfulconvergencetonear-groundstates. Throughsystematichyperparameterexploration, we identify optimal configurations: smaller model architectures (12 layers, 8 attention heads), longer sequence lengths (12 gates), and carefully chosen operator pools yield the most reliable convergence. Our results show that generative approaches can effectively navigate complex energy landscapes without relying on problem-specific symmetries or structure. This provides a scalable alternative to traditional variational methods for general quantum systems. An open-source implementation is available at https://github.com/Mindbeam-AI/SpinGQE.

  • 3 authors
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Mar 24