Daily Papers

Understanding how deep neural networks learn useful internal representations from data remains a central open problem in the theory of deep learning. We introduce Neural Low-Degree Filtering (Neural LoFi), a stylized limit of gradient-based training in which hierarchical feature learning becomes an explicit iterative spectral procedure. In this limit, the dynamics at each layer decouple: given the current representation, the next layer selects directions with maximal accessible low-degree correlation to the label. This yields a tractable surrogate mechanism for deep learning, together with a natural kernel-space interpretation. Neural LoFi provides a mathematically explicit framework for studying multi-layer feature learning beyond the lazy regime. It predicts how representations are selected layer by layer, explains how emergence of concepts arises with given sample complexity,and gives a concrete mechanism by which depth progressively constructs new features from old ones through low-degree compositionality. We complement the theory with mechanistic experiments on fully connected and convolutional architectures, showing that Neural LoFi improves over lazy random-feature baselines, recovers meaningful structured filters, and predicts representations aligned with early gradient-descent feature discovery with real datasets.

In this paper we propose a new approach to detect clusters in undirected graphs with attributed vertices. We incorporate structural and attribute similarities between the vertices in an augmented graph by creating additional vertices and edges as proposed in [1, 2]. The augmented graph is then embedded in a Euclidean space associated to its Laplacian and we cluster vertices via a modified K-means algorithm, using a new vector-valued distance in the embedding space. Main novelty of our method, which can be classified as an early fusion method, i.e., a method in which additional information on vertices are fused to the structure information before applying clustering, is the interpretation of attributes as new realizations of graph vertices, which can be dealt with as coordinate vectors in a related Euclidean space. This allows us to extend a scalable generalized spectral clustering procedure which substitutes graph Laplacian eigenvectors with some vectors, named algebraically smooth vectors, obtained by a linear-time complexity Algebraic MultiGrid (AMG) method. We discuss the performance of our proposed clustering method by comparison with recent literature approaches and public available results. Extensive experiments on different types of synthetic datasets and real-world attributed graphs show that our new algorithm, embedding attributes information in the clustering, outperforms structure-only-based methods, when the attributed network has an ambiguous structure. Furthermore, our new method largely outperforms the method which originally proposed the graph augmentation, showing that our embedding strategy and vector-valued distance are very effective in taking advantages from the augmented-graph representation.

3D convolutions are commonly employed by demosaicking neural models, in the same way as solving other image restoration problems. Counter-intuitively, we show that 3D convolutions implicitly impede the RGB color spectra from exchanging complementary information, resulting in spectral-inconsistent inference of the local spatial high frequency components. As a consequence, shallow 3D convolution networks suffer the Moir\'e artifacts, but deep 3D convolutions cause over-smoothness. We analyze the fundamental difference between demosaicking and other problems that predict lost pixels between available ones (e.g., super-resolution reconstruction), and present the underlying reasons for the confliction between Moir\'e-free and detail-preserving. From the new perspective, our work decouples the common standard convolution procedure to spectral and spatial feature aggregations, which allow strengthening global communication in the spectral dimension while respecting local contrast in the spatial dimension. We apply our demosaicking model to two tasks: Joint Demosaicking-Denoising and Independently Demosaicking. In both applications, our model substantially alleviates artifacts such as Moir\'e and over-smoothness at similar or lower computational cost to currently top-performing models, as validated by diverse evaluations. Source code will be released along with paper publication.

Kernel methods requiring matrix inversion -- particularly Least-Squares Twin Support Vector Machines (LSTSVM) -- suffer from exponential eigenvalue decay in their system matrices, producing severely ill-conditioned problems where standard Tikhonov regularization applies uniform damping regardless of eigenvector reliability. We propose Differential Spectral Damping (DSD), a regularization formula that adapts its penalty to localized eigengap structure: preserving eigenvectors with large spectral gaps (reliable per Davis-Kahan perturbation theory) while aggressively suppressing those with small gaps (directionally corrupted beyond recovery). We motivate DSD through a principled design procedure grounded in the Davis-Kahan sin(Θ) theorem, systematically deriving the requirements for a reliability-aware damping function and selecting the exponential form for its smoothness, differentiability, and natural saturation properties. Through rigorous paired testing with fairly optimized baselines (including gradient-optimized Tikhonov receiving equal optimization opportunity), we demonstrate that DSD improves LSTSVM classification accuracy by +4.8 percentage points on real-world GINA (d=970, Cohen's d = 4.49, p < 0.0001), +10.4 percentage points at d=200, and +2.6 percentage points on Madelon (d=500) -- all using only principled spectral initialization while Tikhonov receives grid search. For pre-image reconstruction on manifold data, DSD ties Tikhonov at high perturbation noise (p=0.99) but slightly underperforms at lower noise levels; both reduce naive inversion error by 66times. We characterize the precise operating regime (d geq 100, condition number > 10^3) and document where simpler methods suffice, providing practitioners with clear deployment guidance.

Spectral methods are central to high-dimensional statistics and machine learning, underlying procedures for covariance estimation, matrix denoising, representation learning, clustering, and latent variable modeling. In this work, we focus primarily on spectral estimators for high-dimensional factor models, where leading singular vectors of the data matrix are used to estimate latent structure and covariance parameters. In many modern applications, however, data are collected across related but heterogeneous tasks, studies, domains, or populations. Applying such estimators separately to each task can lead to unstable estimates when sample sizes are limited relative to dimension, while completely pooling the data can obscure meaningful task-specific structure. We introduce Hierarchical Spectral Shrinkage (HSS), a scalable empirical-Bayes framework for partially pooling task-specific spectral estimators. The method regularizes the leading spectral directions of each task toward a data-adaptivelylearned common basis, while allowing the amount of shrinkage to vary across tasks and spectral components. The proposed estimator arises as the posterior mean in a surrogate Bayesian regression formulation of the empirical singular vectors. For factor models, HSS yields partially pooled estimators of the group-specific loading spaces and covariance matrices and can be combined with different spectral estimators by replacing their empirical singular vectors with hierarchically regularized counterparts. More broadly, the same construction provides a mechanism for extending spectral estimators to collections of related but heterogeneous datasets. We demonstrate substantial improvements in estimation accuracy and out-of-sample performance over separate, fully pooled, and shared-subspace approaches in synthetic experiments and multi-study gene-expression data.

Recent developments in Parameter-Efficient Fine-Tuning (PEFT) methods for pretrained deep neural networks have captured widespread interest. In this work, we study the enhancement of current PEFT methods by incorporating the spectral information of pretrained weight matrices into the fine-tuning procedure. We investigate two spectral adaptation mechanisms, namely additive tuning and orthogonal rotation of the top singular vectors, both are done via first carrying out Singular Value Decomposition (SVD) of pretrained weights and then fine-tuning the top spectral space. We provide a theoretical analysis of spectral fine-tuning and show that our approach improves the rank capacity of low-rank adapters given a fixed trainable parameter budget. We show through extensive experiments that the proposed fine-tuning model enables better parameter efficiency and tuning performance as well as benefits multi-adapter fusion. The code will be open-sourced for reproducibility.

Moment-based estimation is a theoretically attractive approach to parametric inference, especially when likelihood-based estimation is unavailable, misspecified, or computationally inconvenient. However, the moment equations involve sample averages, which makes moment-based estimation sensitive to outliers. We propose the SGR-GMM algorithm, a robust generalized method of moments (GMM) procedure that uses a spectral gradient reweighting (SGR) primitive to soft-reweight the per-observation gradients during the moment-matching optimization. Our analysis has three layers. First, for a fixed center, the SGR primitive is formulated as an entropy-regularized spectral game between a sample-weight player and a density-matrix player, which is analyzed using classical multiplicative-weights and matrix-multiplicative-weights regret bounds. Second, we establish explicit convergence radius and finite termination bound for the fixed-center updates in the SGR primitive. Third, we prove a local finite-sample parameter estimation error bound with explicit dependence on the contamination fraction, inlier gradient stability, local GMM identification strength, and optimization accuracy. We further specialize the SGR-GMM algorithm to obtain a robust diagonally-weighted GMM (DGMM) estimator for estimating heteroscedastic low-rank Gaussian mixtures observed under additive Gaussian noise and strong contamination. In the numerical experiments, the SGR primitive produces nearly-oracle gradient estimation and the robust DGMM specialization substantially improves over non-robust moment baselines. The code and data are available at https://github.com/liu-lzhang/sgr-gmm.

Symmetries play a central role in quantum many-body physics, yet uncovering them systematically remains challenging. We introduce a bootstrap framework designed to reconstruct the representation theory of hidden finite group symmetries of quantum many-body lattice Hamiltonians, using only a known symmetry subgroup N and spectral correlations between its symmetry sectors. We introduce a novel variant of the spectral form factor, the cross spectral form factor (xSFF), which we compute via exact diagonalization to seed the bootstrap algorithm. By applying the constraints derived from these data alongside the algebraic conditions of the fusion rules, our bootstrap procedure sharply restricts the set of candidate groups G. Remarkably, without any prior assumptions regarding the full symmetry group G, our method can systematically recover its representation-theoretic data, including the number and dimensions of the irreducible representations, their branching rules with respect to N, the fusion algebra, and the full character table. This framework applies equally well to chaotic and integrable many-body systems and accommodates both unitary and anti-unitary symmetries. Through various examples, we demonstrate that the underlying group G can be uniquely identified. In particular, our bootstrap independently recovers the Z_4 symmetry at the self-dual point of the three-state quantum torus chain, detects signatures of projective representations in the effective Hamiltonian of the driven Bose-Hubbard model, and rediscovers the η-pairing SO(4) symmetry of the one-dimensional Fermi-Hubbard model. Our framework thus establishes a practical route to identify symmetries directly from dynamical spectral observables.

Important classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on tracking only low-order moments of the kinetic model serve as an efficient alternative, but typically require closure assumptions to model unrepresented higher-order moments. In this study, we present a learning framework based on neural networks that exploit rotational symmetries in the closure terms to learn accurate closure models directly from kinetic simulations. The data-driven closures demonstrate excellent a-priori predictions comparable to the state-of-the-art Bingham closure. We provide a systematic comparison between different neural network architectures and demonstrate that nonlocal effects can be safely ignored to model the closure terms. We develop an active learning strategy that enables accurate prediction of the closure terms across the entire parameter space using a single neural network without the need for retraining. We also propose a data-efficient training procedure based on time-stepping constraints and a differentiable pseudo-spectral solver, which enables the learning of stable closures suitable for a-posteriori inference. The coarse-grained simulations equipped with data-driven closure models faithfully reproduce the mean velocity statistics, scalar order parameters, and velocity power spectra observed in simulations of the kinetic theory. Our differentiable framework also facilitates the estimation of parameters in coarse-grained descriptions conditioned on data.

Diagnosing epilepsy is challenging when routine EEGs lack interictal epileptiform discharges (IEDs). Intermittent photic stimulation (IPS) and hyperventilation (HV) can increase diagnostic yield, but their interpretation is subjective. We propose a reproducible pipeline that classifies EEG recordings acquired during stimulation procedures, using machine-learning features spanning temporal, spectral, wavelet, and connectivity domains, and a stacked ensemble to combine complementary feature sets. Performance is evaluated with leave-one-subject-out (LOSO) cross-validation on the TUH Epilepsy Corpus and a clinical Erasmus MC (EMC) cohort, including IED-free analyses on TUH. On TUH, ensembles achieve up to 97.8\% AUC / 93.1\% BAC on IED-free resting-state EEG and 94.1\% AUC / 86.8\% BAC on IED-free IPS. On EMC, IPS provides the strongest discrimination (79.4\% AUC / 73.9\% BAC), while HV performance benefits from stratifying subjects by responsiveness. These results indicate that stimulation-evoked activity, particularly IPS, contains meaningful discriminative information for IED-free epilepsy classification and that multi-domain ensembling improves robustness.

We study quantum state tomography when the unknown state lies in a trace-distance ball of radius R around a known reference state ρ. For arbitrary collective measurements, we determine the minimax expected risk and confidence radius up to universal constants, uniformly over the dimension, center spectrum, radius, and sample size. Write Γ=d(Trsqrtρ)^2+d^2R. For dge2, 0<Rle1, and nge1 copies, the expected risk is Θ(min{R,Γ/n}). At failure probability 0<δle1/3, the minimax confidence radius is \[ Θ\!\left(\min\left\{R,\frac{Γ+\log(1/δ){n}}\right\}\right). \] For varepsilonle c_0R with a universal c_0>0, the copy complexity is Θ((Γ+log(1/δ))/varepsilon^2). For the lower bound we use a weighted trace-norm witness to retain all spectral scales in a square-root perturbation family. For the upper bound, we give a direct spectral and concentration analysis of a modified existing purification-based procedure.

We present a new method for generating emission spectra from polycyclic aromatic hydrocarbons (PAHs) in arbitrary radiation fields. We utilize the single-photon limit for PAH heating and emission to treat individual photon absorptions as independent events. This allows the construction of a set of single-photon emission "basis spectra" that can be scaled to produce an output emission spectrum given any input heating spectrum. We find that this method produces agreement with PAH emission spectra computed accounting for multi-photon effects to within simeq10% in the 3-20~{rm mu m} wavelength range for radiation fields with intensity U<100. We use this framework to explore the dependence of PAH band ratios on the radiation field spectrum across grain sizes, finding in particular a strong dependence of the 3.3 to 11.2~mum band ratio on radiation field hardness. A Python-based tool and a set of basis spectra that can be used to generate these emission spectra are made publicly available.

In this work, we study a fractional diffusion model in time and space, formulated in an open and bounded domain, involving a Caputo fractional derivative of order μin(0,1) with respect to a time scale function Ψ, together with a spectral fractional Laplacian operator of order sin(0,1). The associated direct problem is analyzed, as well as the inverse problem of temporal reconstruction from final data, which is inherently ill-posed. Through a spectral representation, the instability of the problem and the effect of the choice of the function Ψ on the amplification of spectral modes are examined.

Semidefinite programming is a fundamental problem class in convex optimization, but despite recent advances in solvers, solving large-scale semidefinite programs remains challenging. Generally the matrix functions involved are spectral or unitarily invariant, i.e., they depend only on the eigenvalues or singular values of the matrix. This paper investigates how spectral matrix cones -- cones defined from epigraphs and perspectives of spectral or unitarily invariant functions -- can be used to enhance first-order conic solvers for semidefinite programs. Our main result shows that projecting a matrix can be reduced to projecting its eigenvalues or singular values, which we demonstrate can be done at a negligible cost compared to the eigenvalue or singular value decomposition itself. We have integrated support for spectral matrix cone projections into the Splitting Conic Solver (SCS). Numerical experiments show that SCS with this enhancement can achieve speedups of up to an order of magnitude for solving semidefinite programs arising in experimental design, robust principal component analysis, and graph partitioning.

Fix a strip width \(ρ>0\), a Diophantine frequency \(α\), an integer \(N\ge2\), and \(λ>1\). For the family \[ V_{\varepsilon,δ}(x) =2λ\cos(2πN x)+\varepsilonδ(x), \] we prove that there is an open prevalent set \(\mathcal P_{\rm strat}\) of real-analytic strip-\(ρ\) perturbations such that every \(δ\in\mathcal P_{\rm strat}\) admits \(\varepsilon_0(δ)>0\) for which \[ gathered Leb\left\{ E\inΣ(V_{\varepsilon,δ},α): ω(α,E;V_{\varepsilon,δ})=s \right\}>0, 0<\varepsilon<\varepsilon_0(δ), \qquad s=1,\ldots,N. gathered \] The proof relates acceleration to the total multiplicity of real zeros of analytic overlap coefficients for first-return cocycles. Under quantitative control of the return products, Poisson integration and Kac normalization identify acceleration with half this multiplicity. A positive analytic dual state gives the finite-volume spectral gaps and Schur curvature needed at the upper spectral edge. Schur variations separate the perturbed maxima, and parameter exclusion preserves \(s\) pairs of simple zeros on a positive-measure spectral set.

Spectral rendering reproduces the wavelength-dependent appearance that RGB rendering cannot: metamerism, colour shifts under spectrally rich illumination, coloured glass, metallic reflection and subsurface scattering. It requires a spectrally aware renderer, but the rendering ecosystem is predominantly RGB: game engines, cloud render farms, GPU rasterisers and most offline renderers consume RGB alone, with no access to the internal wavelength propagation that spectral rendering relies on. We introduce learned spectral codes, a compact linear representation that enables general spectral rendering through unmodified RGB pipelines. A trained encoder compresses any visible-range spectral quantity into a small latent vector; the codes are packed as RGB triplets and processed by an off-the-shelf RGB renderer. The codec preserves the arithmetic of light transport, exactly for scaling and addition and approximately for element-wise products, so two standard RGB passes suffice to produce results closely matching a full spectral rendering. The same codec handles reflectance, illumination, coloured glass, conductors, and participating media: one pipeline across material classes, with no per-material modification to the renderer. Where spectral asset data is unavailable, lightweight neural upsamplers bridge legacy RGB inputs to the latent space. Across diverse materials and illumination, the method yields substantial quality improvements on the cases where RGB rendering fails most visibly, at rendering cost comparable to efficient spectral-sampling techniques and with no changes to the renderer.

Dimensionality reduction is critical for deploying dense retrieval systems at scale, yet mainstream post-hoc methods face a fundamental trade-off: principal component analysis (PCA) preserves dominant variance but underutilizes representational capacity, while whitening enforces isotropy at the cost of amplifying noise in the heavy-tailed eigenspectrum of retrieval embeddings. Intermediate spectral scaling methods unify these extremes by reweighting dimensions with a power coefficient γ, but treat γ as a fixed hyperparameter that requires task-specific tuning. We show that the optimal scaling strength γ is not a global constant: it varies systematically with target dimensionality k and is governed by the signal-to-noise ratio (SNR) of the retained subspace. Based on this insight, we propose Spectral Tempering (SpecTemp), a learning-free method that derives an adaptive γ(k) directly from the corpus eigenspectrum using local SNR analysis and knee-point normalization, requiring no labeled data or validation-based search. Extensive experiments demonstrate that Spectral Tempering consistently achieves near-oracle performance relative to grid-searched γ^*(k) while remaining fully learning-free and model-agnostic. Our code is publicly available at https://anonymous.4open.science/r/SpecTemp-0D37.

We investigate the spectral statistics of random perturbations of semiclassical Schrödinger operators on compact manifolds, near energy levels corresponding to chaotic classical dynamics. The prototypical example is that of an operator h^2Δ+V(x) that is perturbed by a smooth potential h^αV_ω with αin (0,1), and V_ω is a random potential that decorrelates on distances h^β, with 0<β<2α. We show that for a generic perturbation, the spectral fluctuations of the smoothed counting function of eigenvalues obey a universal behavior at a certain mesoscopic scale, which is coherent with the predictions of random matrix theory.

Spectral positional encodings (PEs) for directed graphs face two obstacles: magnetic Laplacians require an O(n^3) Hermitian eigendecomposition per potential, and their complex eigenvectors are defined only up to unitary gauge, which prior work handles with basis-invariant architectures. We propose learnable spectral PEs of the form h_θ(A_q),R, where A_q is a normalized magnetic operator, h_θ a learnable scalar spectral response, and R a block of random probes. Because the PE is a matrix function of the operator, it is gauge-invariant by construction. We compute it in a Hermitian block Krylov subspace from sparse matrix--vector products only, prove that k = O(log(1/varepsilon)) block steps suffice uniformly over heat--resolvent response families, and give a covering-number argument for why low-dimensional structured families generalize where free per-eigenvalue weights overfit. On a directed SBM whose symmetrization is uninformative by construction, direction-blind PEs stay at chance while magnetic Krylov PEs converge to the exact-eigendecomposition oracle as the depth grows. The same probes yield gauge-invariant pairwise features with 1/s Monte-Carlo error, and the undirected q{=}0 case improves heterophilous benchmarks over no-PE and polynomial baselines.

Chirality plays an important role in many optical phenomena, and it is crucial to have efficient and accurate numerical algorithms to simulate solutions in this setting. In this paper, we discuss a High-Order Spectral method coupled to geometric regular perturbation theory, which results in just such a method. We view the chirality of the laterally periodic, constant permittivity/permeability structure as deviating from a background value, and demonstrate analyticity of the field scattered by a plane electromagnetic wave with respect to this deformation. This analyticity is not only with respect to chirality deformations of arbitrarily large real size, but also joint in the spatial variables. We also show how the High--Order Perturbation of Envelopes (HOPE) recursions, which we used to establish these results, can be implemented as a rapid, robust, and reliable numerical algorithm.

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.

We consider a family of linear systems A_mu alpha=C with system matrix A_mu depending on a parameter mu and for simplicity parameter-independent right-hand side C. These linear systems typically result from the finite-dimensional approximation of a parameter-dependent boundary-value problem. We derive a procedure based on the Empirical Interpolation Method to obtain a separated representation of the system matrix in the form A_muapproxsum_{m}beta_m(mu)A_{mu_m} for some selected values of the parameter. Such a separated representation is in particular useful in the Reduced Basis Method. The procedure is called nonintrusive since it only requires to access the matrices A_{mu_m}. As such, it offers a crucial advantage over existing approaches that instead derive separated representations requiring to enter the code at the level of assembly. Numerical examples illustrate the performance of our new procedure on a simple one-dimensional boundary-value problem and on three-dimensional acoustic scattering problems solved by a boundary element method.

The paper is a continuation of the study started in Yorzh1. Schrodinger operators on finite compact metric graphs are considered under the assumption that the matching conditions at the graph vertices are of delta type. Either an infinite series of trace formulae (provided that edge potentials are infinitely smooth) or a finite number of such formulae (in the cases of L_1 and C^M edge potentials) are obtained which link together two different quantum graphs under the assumption that their spectra coincide. Applications are given to the problem of recovering matching conditions for a quantum graph based on its spectrum.

We consider beta-Dyson Brownian motion, with β>= 1, started from a deterministic configuration with uniformly bounded support. Let μ_t be the semicircular free-convolution flow issued from the initial empirical measure, and set S_t = supp(μ_t). For every fixed T, ε> 0, with probability at least 1 - C exp(-(log n)^2), every particle remains within an epsilon-neighborhood of S_t for all 0 <= t <= T. The result holds from time zero, requires no regularity assumption at the initial spectral edges, and applies to multi-cut supports with macroscopic interior gaps. A key ingredient is a deterministic local resolvent exclusion principle: an o((n η)^(-1)) comparison of Stieltjes transforms on a complex disc above a real point separated from the reference support excludes eigenvalues from the corresponding real interval. This gives a model-independent mechanism for converting local resolvent estimates into spectral confinement.

We present Neural Spectral Methods, a technique to solve parametric Partial Differential Equations (PDEs), grounded in classical spectral methods. Our method uses orthogonal bases to learn PDE solutions as mappings between spectral coefficients. In contrast to current machine learning approaches which enforce PDE constraints by minimizing the numerical quadrature of the residuals in the spatiotemporal domain, we leverage Parseval's identity and introduce a new training strategy through a spectral loss. Our spectral loss enables more efficient differentiation through the neural network, and substantially reduces training complexity. At inference time, the computational cost of our method remains constant, regardless of the spatiotemporal resolution of the domain. Our experimental results demonstrate that our method significantly outperforms previous machine learning approaches in terms of speed and accuracy by one to two orders of magnitude on multiple different problems. When compared to numerical solvers of the same accuracy, our method demonstrates a 10times increase in performance speed.

Whitening loss offers a theoretical guarantee against feature collapse in self-supervised learning (SSL) with joint embedding architectures. Typically, it involves a hard whitening approach, transforming the embedding and applying loss to the whitened output. In this work, we introduce Spectral Transformation (ST), a framework to modulate the spectrum of embedding and to seek for functions beyond whitening that can avoid dimensional collapse. We show that whitening is a special instance of ST by definition, and our empirical investigations unveil other ST instances capable of preventing collapse. Additionally, we propose a novel ST instance named IterNorm with trace loss (INTL). Theoretical analysis confirms INTL's efficacy in preventing collapse and modulating the spectrum of embedding toward equal-eigenvalues during optimization. Our experiments on ImageNet classification and COCO object detection demonstrate INTL's potential in learning superior representations. The code is available at https://github.com/winci-ai/INTL.

This paper makes a formal connection between two families of widely used matrix factorization algorithms in numerical linear algebra. One family consists of the Jacobi eigenvalue algorithm and its variants for computing the Hermitian eigendecomposition and singular value decomposition. The other consists of Gaussian elimination and the Gram-Schmidt procedure with various pivoting rules for computing the Cholesky decomposition and QR decomposition respectively. Both families are cast as special cases of a more general class of factorization algorithms. We provide a randomized pivoting rule that applies to this general class (which differs substantially from the usual pivoting rules for Gaussian elimination / Gram-Schmidt) which results in the same linear rate of convergence for each algorithm, irrespective of which factorization it computes. A second important consequence of this randomized pivoting rule is a provable, effective bound on the numerical stability of the Jacobi eigenvalue algorithm, which addresses a longstanding open problem of Demmel and Veseli\'c `92.

Convolutional Neural Networks (CNN) have been successful in processing data signals that are uniformly sampled in the spatial domain (e.g., images). However, most data signals do not natively exist on a grid, and in the process of being sampled onto a uniform physical grid suffer significant aliasing error and information loss. Moreover, signals can exist in different topological structures as, for example, points, lines, surfaces and volumes. It has been challenging to analyze signals with mixed topologies (for example, point cloud with surface mesh). To this end, we develop mathematical formulations for Non-Uniform Fourier Transforms (NUFT) to directly, and optimally, sample nonuniform data signals of different topologies defined on a simplex mesh into the spectral domain with no spatial sampling error. The spectral transform is performed in the Euclidean space, which removes the translation ambiguity from works on the graph spectrum. Our representation has four distinct advantages: (1) the process causes no spatial sampling error during the initial sampling, (2) the generality of this approach provides a unified framework for using CNNs to analyze signals of mixed topologies, (3) it allows us to leverage state-of-the-art backbone CNN architectures for effective learning without having to design a particular architecture for a particular data structure in an ad-hoc fashion, and (4) the representation allows weighted meshes where each element has a different weight (i.e., texture) indicating local properties. We achieve results on par with the state-of-the-art for the 3D shape retrieval task, and a new state-of-the-art for the point cloud to surface reconstruction task.

In recent years, Muon has emerged as the dominant method for training large language models, and transformers more broadly. The essential difference, when compared to standard gradient descent methods, is to replace the usual update matrix M=UΣV^top with its polar factor UV^top. In this work, we consider a class of Muon-like updates, where we replace the update M with UΣ^p V^top for some parameter p. We call this a "spectral-shaping" operation, and develop a theory of how to pick p which depends on (a) local curvature of the loss function, (b) noise stemming from stochastic gradients and label noise, and (c) training stage. Our theory and experimentation reveal a previously overlooked behavior: positive p helps early by emphasizing high-curvature directions and accelerating signal contraction, while mildly negative p helps later by reallocating update strength toward low-curvature directions that still contain useful training signals. Building on the insight, we propose DynMuon, an efficient dynamic spectral shaping method that schedules p from positive to mildly negative over training. Extensive experiments across model sizes, architectures, and training settings show that DynMuon consistently achieves lower validation loss than Muon, while requiring 10.6-26.5% fewer steps to reach the same target loss.

We study spectral approximations of the dynamic programming semigroup for finite-horizon optimal control on a connected compact Lie group G, and of the associated first-order Hamilton-Jacobi-Bellman equation. The Bellman operator is monotone and non-expansive in the supremum norm, while the Peter-Weyl decomposition of L^{2}(G), on which every Fourier method on G rests, is orthogonal, and the mismatch is quantitative. The natural sup-norm error recursion of the Galerkin iteration is amplified at every step by the Lebesgue constant of the spectral projection, which grows logarithmically on S^{1} and polynomially on compact Lie groups of rank one, including SO(3), and in computation the iteration violates elementary bounds within a few steps. We restore the dynamic programming structure at the discrete level by replacing the orthogonal projection with spectral filters of Markov type. An auxiliary heat-kernel/vanishing-viscosity scheme yields qualitative sup-norm convergence for Lipschitz data. The main result is a Fejér-type filter on G, finite-rank, positivity preserving and non-expansive, together with a convergence theorem at the rate O(sqrtδ+ε+1/(δN^2)) for Lipschitz data, where δ is the time step, N the spectral resolution and ε the viscosity. The viscosity may be zero, and the coupling δ=N^{-1} then gives the rate N^{-1/2}. The proof interprets the filter as a small random perturbation of the controlled dynamics, requires neither a priori regularity of the value function nor a consistency argument in the viscosity sense for the filtering step, and extends to a fully discrete realization based on positive cubature, with exact Wigner transport on SO(3). Numerical experiments confirm the predicted rates and filter bias and quantify the frame dependence of two chart-based baselines.

Muon is an increasingly widely used optimizer that replaces a gradient G=USV^top with its polar factor UV^top, thereby flattening the singular spectrum. However, full flattening discards singular-value information that may matter for adaptation. We introduce Muon^p, a Muon-style optimizer that instead uses fractional spectral-power updates US^pV^top for rational pin(0,1), interpolating between Muon and gradient descent. To make it practical, we prove that fractional spectral powers cannot be computed by any fixed univariate polynomial iteration, and furthermore derive low-degree odd bivariate recurrences that approximate US^pV^top using only matrix multiplications, preserving Muon's matrix-multiplication-only structure and compute complexity. We show that Muon^p maximizes the linear improvement in loss under the Schatten q-norm for q=1+1{p}. Empirically, Muon^p is especially effective for finetuning: on billion-scale models, Muon^p improves validation perplexity and downstream task performance. We further analyze when Muon^p is less suitable, through the lens of spectral geometry. Our results reveal important insights on when preserving the singular spectrum can bring significant gains, and introduce a principled way to achieve them.

Diffusion models typically suffer from error accumulation during iterative sampling, commonly referred to as exposure bias. We reveal systematic frequency-dependent discrepancies between training and inference, which can be interpreted as frequency-dependent SNR error. Crucially, the direction of this mismatch varies across models and timesteps, indicating that fixed correction rules do not generalize. We propose Spectral Alignment (SPA), a lightweight, guidance-based method that calibrates the power spectrum of intermediate predictions to a pre-computed prior. Our approach consists of two stages: (1) offline fitting of a parametric spectrum model from training data, and (2) inference-time guidance via efficient FFT-based gradient computation. SPA introduces minimal computational overhead (3-4\%) and is complementary to Classifier-Free Guidance (CFG). We demonstrate consistent improvements across diverse architectures, from pixel-space models (DDPM, ADM) to latent diffusion models (SD2.0, SDXL) and flow-matching models (SD3.5, FLUX). Our implementation is available at https://github.com/SonyResearch/SPA.

While the harmonic function solution performs well in many semi-supervised learning (SSL) tasks, it is known to scale poorly with the number of samples. Recent successful and scalable methods, such as the eigenfunction method focus on efficiently approximating the whole spectrum of the graph Laplacian constructed from the data. This is in contrast to various subsampling and quantization methods proposed in the past, which may fail in preserving the graph spectra. However, the impact of the approximation of the spectrum on the final generalization error is either unknown, or requires strong assumptions on the data. In this paper, we introduce Sparse-HFS, an efficient edge-sparsification algorithm for SSL. By constructing an edge-sparse and spectrally similar graph, we are able to leverage the approximation guarantees of spectral sparsification methods to bound the generalization error of Sparse-HFS. As a result, we obtain a theoretically-grounded approximation scheme for graph-based SSL that also empirically matches the performance of known large-scale methods.

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.

Post-hoc image explanations usually show where a model looks using spatial heatmaps or indicate which channels matter using global channel scores. These separate views are limiting for multispectral data because channel relevance is often spatially localized and physically meaningful. We introduce Spectral-Spatial Interpretation (SSI), a full-grid attribution method over position-channel players (g,c). For each spatial position, SSI fixes the observed surrounding context, defines a conditional game over the channels at that position, and applies the Shapley value to this local game. The result is a full spectral-spatial attribution matrix rather than a single heatmap or a global channel ranking. SSI has a clear local interpretation. It satisfies Shapley fairness within each position, and aggregating its channel attributions exactly recovers the position-level contextual contrast obtained by replacing that position with the baseline. SSI also differs from context-averaged Owen-style hierarchical accounting, which uses the same position-channel grouping but averages over external spatial coalitions. On HLS Burn Scar, SSI outperforms an MC-Owen estimator across retained attribution metrics while using only about 6% of its evaluation budget. Across CUB-200, EuroSAT, and HLS Burn Scar under both per-channel mean and zero baselines, SSI achieves the best joint deletion and insertion AUC over dense, flat, and rank-1 baselines, yields the strongest spectral hit rates and channel deletion, and leads spatial localization on both annotated datasets. Code is available at https://github.com/AtheavenMa/Spectral-Spatial-Interpretation.

We propose PRISM, an optimizer that enhances first-order spectral descent methods like Muon with partial second-order information. It constructs an efficient, low-rank quasi-second-order preconditioner via innovation-augmented polar decomposition. This mechanism enables PRISM to perform anisotropic spectral shaping, which adaptively suppresses updates in high-variance subspaces while preserving update strength in signal-dominated directions. Crucially, this is achieved with minimal computational overhead and zero additional memory compared to first-order baselines. PRISM demonstrates a practical strategy for integrating curvature-adaptive properties into the spectral optimization paradigm.

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.

Low-Rank Adaptation (LoRA) improves downstream performance by restricting task updates to a low-rank parameter subspace, yet how this limited capacity is allocated within a trained adapter remains unclear. Through a geometric and empirical study across multiple tasks and backbones, we find that trained LoRA updates often exhibit an inefficient spectrum: task effects concentrate in a small subset of singular directions, while many remaining components are neutral or detrimental, motivating post-hoc refinement within the learned subspace. We propose Spectral Surgery, a training-free refinement that decomposes a LoRA update with SVD, estimates per-component sensitivity using gradients on a small calibration set, and reweights singular values under a magnitude constraint while keeping the learned directions fixed. Across Llama-3.1-8B and Qwen3-8B on four benchmarks, Spectral Surgery yields consistent gains (up to +4.4 points on CommonsenseQA and +2.4 pass@1 on HumanEval) by adjusting only approx 1{,}000 scalar coefficients. These results demonstrate that SVD-structured, low-cost parameter editing can serve as a practical route to improving trained LoRA adapters in a purely post-hoc manner.

Molecular structure elucidation from spectra is a foundational problem in chemistry, with profound implications for compound identification, synthesis, and drug development. Traditional methods rely heavily on expert interpretation and lack scalability. Pioneering machine learning methods have introduced retrieval-based strategies, but their reliance on finite libraries limits generalization to novel molecules. Generative models offer a promising alternative, yet most adopt autoregressive SMILES-based architectures that overlook 3D geometry and struggle to integrate diverse spectral modalities. In this work, we present DiffSpectra, a generative framework that directly infers both 2D and 3D molecular structures from multi-modal spectral data using diffusion models. DiffSpectra formulates structure elucidation as a conditional generation process. Its denoising network is parameterized by Diffusion Molecule Transformer, an SE(3)-equivariant architecture that integrates topological and geometric information. Conditioning is provided by SpecFormer, a transformer-based spectral encoder that captures intra- and inter-spectral dependencies from multi-modal spectra. Extensive experiments demonstrate that DiffSpectra achieves high accuracy in structure elucidation, recovering exact structures with 16.01% top-1 accuracy and 96.86% top-20 accuracy through sampling. The model benefits significantly from 3D geometric modeling, SpecFormer pre-training, and multi-modal conditioning. These results highlight the effectiveness of spectrum-conditioned diffusion modeling in addressing the challenge of molecular structure elucidation. To our knowledge, DiffSpectra is the first framework to unify multi-modal spectral reasoning and joint 2D/3D generative modeling for de novo molecular structure elucidation.

Accurate histopathologic interpretation is key for clinical decision-making; however, current deep learning models for digital pathology are often overconfident and poorly calibrated in out-of-distribution (OOD) settings, which limit trust and clinical adoption. Safety-critical medical imaging workflows benefit from intrinsic uncertainty-aware properties that can accurately reject OOD input. We implement the Spectral-normalized Neural Gaussian Process (SNGP), a set of lightweight modifications that apply spectral normalization and replace the final dense layer with a Gaussian process layer to improve single-model uncertainty estimation and OOD detection. We evaluate SNGP vs. deterministic and MonteCarlo dropout on six datasets across three biomedical classification tasks: white blood cells, amyloid plaques, and colorectal histopathology. SNGP has comparable in-distribution performance while significantly improving uncertainty estimation and OOD detection. Thus, SNGP or related models offer a useful framework for uncertainty-aware classification in digital pathology, supporting safe deployment and building trust with pathologists.

Deep models have achieved impressive progress in solving partial differential equations (PDEs). A burgeoning paradigm is learning neural operators to approximate the input-output mappings of PDEs. While previous deep models have explored the multiscale architectures and various operator designs, they are limited to learning the operators as a whole in the coordinate space. In real physical science problems, PDEs are complex coupled equations with numerical solvers relying on discretization into high-dimensional coordinate space, which cannot be precisely approximated by a single operator nor efficiently learned due to the curse of dimensionality. We present Latent Spectral Models (LSM) toward an efficient and precise solver for high-dimensional PDEs. Going beyond the coordinate space, LSM enables an attention-based hierarchical projection network to reduce the high-dimensional data into a compact latent space in linear time. Inspired by classical spectral methods in numerical analysis, we design a neural spectral block to solve PDEs in the latent space that approximates complex input-output mappings via learning multiple basis operators, enjoying nice theoretical guarantees for convergence and approximation. Experimentally, LSM achieves consistent state-of-the-art and yields a relative gain of 11.5% averaged on seven benchmarks covering both solid and fluid physics. Code is available at https://github.com/thuml/Latent-Spectral-Models.

Neural operator surrogates (NO) approximate PDE solutions orders of magnitude faster than numerical solvers, but suffer from spectral bias: high-frequency content is systematically attenuated, limiting reliability where fine-scale structure matters. Sparse sensor measurements of the field are often available too, offering pointwise accuracy without spectral distortion but covering only a small fraction of the domain. We address this by treating NO predictions as auxiliary observations in a diffusion posterior sampling framework. Our method, FreqNO-DPS (https://github.com/niccoloperrone/FreqNO-DPS), combines an unconditional score-based diffusion prior, trained on high-fidelity simulations, with diffusion posterior sampling (DPS) conditioned on sparse observations and guided by a frozen neural operator. Naive integration reintroduces the surrogate's spectral bias; we resolve this with a closed-form, spectrally shaped guidance score that weights the surrogate by its frequency-dependent accuracy and needs no denoiser backpropagation. A distribution-free analysis bounds the approximation error across the frequency-diffusion-time plane and shows the guidance's frequency dependence is preserved regardless of distributional assumptions. On 3D elastic wavefield prediction at 5% and 2% sensor coverage, the method reaches near-zero spectral bias across all bands, where both the surrogate and sensor-only DPS show systematic high-frequency attenuation. Isotropic guidance, the natural baseline, improves pointwise accuracy but carries the bias into the posterior nearly intact, confirming that frequency-dependent calibration is essential, not merely beneficial. The framework needs only paired surrogate/reference data and exploits no problem-specific structure beyond the residual's approximate spectral diagonality, verifiable for new surrogates via the coherence diagnostic we provide.

We derive a new proof to show that the incremental resparsification algorithm proposed by Kelner and Levin (2013) produces a spectral sparsifier in high probability. We rigorously take into account the dependencies across subsequent resparsifications using martingale inequalities, fixing a flaw in the original analysis.

In recent years, the demand for hyperspectral imaging devices has grown significantly, driven by their ability of capturing high-resolution spectral information. Among the several possible optical designs for acquiring hyperspectral images, there is a growing interest in interferometric spectral imaging systems based on division of aperture. These systems have the advantage of capturing snapshot acquisitions while maintaining a compact design. However, they require a careful calibration to operate properly. In this work, we present the interferometer response characterization algorithm (IRCA), a robust three-step procedure designed to characterize the transmittance response of multi-aperture imaging spectrometers based on the interferometry of Fabry-Perot. Additionally, we propose a formulation of the image formation model for such devices suitable to estimate the parameters of interest by considering the model under various regimes of finesse. The proposed algorithm processes the image output obtained from a set of monochromatic light sources and refines the results using nonlinear regression after an ad-hoc initialization. Through experimental analysis conducted on four different prototypes from the Image SPectrometer On Chip (ImSPOC) family, we validate the performance of our approach for characterization. The associated source code for this paper is available at https://github.com/danaroth83/irca.

Remote individual animal identification is important for food safety, sport, and animal conservation. Numerous existing remote individual animal identification studies have focused on RGB images. In this paper, we tackle individual penguin identification using hyperspectral (HS) images. To the best of our knowledge, it is the first work to analyze spectral differences between penguin individuals using an HS camera. We have constructed a novel penguin HS image dataset, including 990 hyperspectral images of 27 penguins. We experimentally demonstrate that the spectral information of HS image pixels can be used for individual penguin identification. The experimental results show the effectiveness of using HS images for individual penguin identification. The dataset and source code are available here: https://033labcodes.github.io/igrass24_penguin/

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.

Spectra are a prevalent yet highly information-dense form of scientific imagery, presenting substantial challenges to multimodal large language models (MLLMs) due to their unstructured and domain-specific characteristics. Here we introduce SpecVQA, a professional scientific-image benchmark for evaluating multimodal models on scientific spectral understanding, covering 7 representative spectrum types with expert-annotated question-answer pairs. The aim comprises two aspects: spectra scientific QA evaluation and corresponding underlying task evaluation. SpecVQA contains 620 figures and 3100 QA pairs curated from peer-reviewed literature, targeting both direct information extraction and domain-specific reasoning. To effectively reduce token length while preserving essential curve characteristics, we propose a spectral data sampling and interpolation reconstruction approach. Ablation studies further confirm that the approach achieves substantial performance improvements on the proposed benchmark. We test the capability of prominent MLLMs in scientific spectral understanding on our benchmark and present a leaderboard. This work represents an essential step toward enhancing spectral understanding in multimodal large models and suggests promising directions for extending visual-language models to broader scientific research and data analysis.

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.

Spectral methods are popular in detecting global structures in the given data that can be represented as a matrix. However when the data matrix is sparse or noisy, classic spectral methods usually fail to work, due to localization of eigenvectors (or singular vectors) induced by the sparsity or noise. In this work, we propose a general method to solve the localization problem by learning a regularization matrix from the localized eigenvectors. Using matrix perturbation analysis, we demonstrate that the learned regularizations suppress down the eigenvalues associated with localized eigenvectors and enable us to recover the informative eigenvectors representing the global structure. We show applications of our method in several inference problems: community detection in networks, clustering from pairwise similarities, rank estimation and matrix completion problems. Using extensive experiments, we illustrate that our method solves the localization problem and works down to the theoretical detectability limits in different kinds of synthetic data. This is in contrast with existing spectral algorithms based on data matrix, non-backtracking matrix, Laplacians and those with rank-one regularizations, which perform poorly in the sparse case with noise.

Matrix functions such as square root, inverse roots, and orthogonalization play a central role in preconditioned gradient methods for neural network training. This has motivated the development of iterative algorithms that avoid explicit eigendecompositions and rely primarily on matrix multiplications, making them well suited for modern GPU accelerators. We present PRISM (Polynomial-fitting and Randomized Iterative Sketching for Matrix functions computation), a general framework for accelerating iterative algorithms for computing matrix functions. PRISM combines adaptive polynomial approximation with randomized sketching: at each iteration, it fits a polynomial surrogate to the current spectrum via a sketched least-squares problem, adapting to the instance at hand with minimal overhead. We apply PRISM to accelerate Newton-Schulz-like iterations for matrix square roots and orthogonalization, which are core primitives in machine learning. Unlike prior methods, PRISM requires no explicit spectral bounds or singular value estimates; and it adapts automatically to the evolving spectrum. Empirically, PRISM accelerates training when integrated into Shampoo and Muon optimizers.

The task of locating first order saddle points on high-dimensional surfaces describing the variation of energy as a function of atomic coordinates is an essential step for identifying the mechanism and estimating the rate of thermally activated events within the harmonic approximation of transition state theory. When combined directly with electronic structure calculations, the number of energy and atomic force evaluations needed for convergence is a primary issue. Here, we describe an efficient implementation of Gaussian process regression (GPR) acceleration of the minimum mode following method where a dimer is used to estimate the lowest eigenmode of the Hessian. A surrogate energy surface is constructed and updated after each electronic structure calculation. The method is applied to a test set of 500 molecular reactions previously generated by Hermez and coworkers [J. Chem. Theory Comput. 18, 6974 (2022)]. An order of magnitude reduction in the number of electronic structure calculations needed to reach the saddle point configurations is obtained by using the GPR compared to the dimer method. Despite the wide range in stiffness of the molecular degrees of freedom, the calculations are carried out using Cartesian coordinates and are found to require similar number of electronic structure calculations as an elaborate internal coordinate method implemented in the Sella software package. The present implementation of the GPR surrogate model in C++ is efficient enough for the wall time of the saddle point searches to be reduced in 3 out of 4 cases even though the calculations are carried out at a low Hartree-Fock level.

We show how imaginary numbers in quantum physics can be eliminated by enlarging the Hilbert Space followed by an imposition of - what effectively amounts to - a superselection rule. We illustrate this procedure with a qubit and apply it to the Mach-Zehnder interferometer. The procedure is somewhat reminiscent of the constrained quantization of the electromagnetic field, where, in order to manifestly comply with relativity, one enlargers the Hilbert Space by quantizing the longitudinal and scalar modes, only to subsequently introduce a constraint to make sure that they are actually not directly observable.

Recently, Spectral Compressive Imaging (SCI) has achieved remarkable success, unlocking significant potential for dynamic spectral vision. However, existing reconstruction methods, primarily image-based, suffer from two limitations: (i) Encoding process masks spatial-spectral features, leading to uncertainty in reconstructing missing information from single compressed measurements, and (ii) The frame-by-frame reconstruction paradigm fails to ensure temporal consistency, which is crucial in the video perception. To address these challenges, this paper seeks to advance spectral reconstruction from the image level to the video level, leveraging the complementary features and temporal continuity across adjacent frames in dynamic scenes. Initially, we construct the first high-quality dynamic hyperspectral image dataset (DynaSpec), comprising 30 sequences obtained through frame-scanning acquisition. Subsequently, we propose the Propagation-Guided Spectral Video Reconstruction Transformer (PG-SVRT), which employs a spatial-then-temporal attention to effectively reconstruct spectral features from abundant video information, while using a bridged token to reduce computational complexity. Finally, we conduct simulation experiments to assess the performance of four SCI systems, and construct a DD-CASSI prototype for real-world data collection and benchmarking. Extensive experiments demonstrate that PG-SVRT achieves superior performance in reconstruction quality, spectral fidelity, and temporal consistency, while maintaining minimal FLOPs. Project page: https://github.com/nju-cite/DynaSpec

We investigate spectral features of bottomonium at high temperature, in particular the thermal mass shift and width of ground state S-wave and P-wave state. We employ and compare a range of methods for determining these features from lattice NRQCD correlators, including direct correlator analyses (multi-exponential fits and moments of spectral functions), linear methods (Backus-Gilbert, Tikhonov and HLT methods), and Bayesian methods for spectral function reconstruction (MEM and BR). We comment on the reliability and limitations of the various methods.

We propose a fully spectral, neuro\-symbolic reasoning architecture that leverages Graph Signal Processing (GSP) as the primary computational backbone for integrating symbolic logic and neural inference. Unlike conventional reasoning models that treat spectral graph methods as peripheral components, our approach formulates the entire reasoning pipeline in the graph spectral domain. Logical entities and relationships are encoded as graph signals, processed via learnable spectral filters that control multi-scale information propagation, and mapped into symbolic predicates for rule-based inference. We present a complete mathematical framework for spectral reasoning, including graph Fourier transforms, band-selective attention, and spectral rule grounding. Experiments on benchmark reasoning datasets (ProofWriter, EntailmentBank, bAbI, CLUTRR, and ARC-Challenge) demonstrate improvements in logical consistency, interpretability, and computational efficiency over state\-of\-the\-art neuro\-symbolic models. Our results suggest that GSP provides a mathematically grounded and computationally efficient substrate for robust and interpretable reasoning systems.

In this paper, we present a Hybrid Spectral Denoising Transformer (HSDT) for hyperspectral image denoising. Challenges in adapting transformer for HSI arise from the capabilities to tackle existing limitations of CNN-based methods in capturing the global and local spatial-spectral correlations while maintaining efficiency and flexibility. To address these issues, we introduce a hybrid approach that combines the advantages of both models with a Spatial-Spectral Separable Convolution (S3Conv), Guided Spectral Self-Attention (GSSA), and Self-Modulated Feed-Forward Network (SM-FFN). Our S3Conv works as a lightweight alternative to 3D convolution, which extracts more spatial-spectral correlated features while keeping the flexibility to tackle HSIs with an arbitrary number of bands. These features are then adaptively processed by GSSA which per-forms 3D self-attention across the spectral bands, guided by a set of learnable queries that encode the spectral signatures. This not only enriches our model with powerful capabilities for identifying global spectral correlations but also maintains linear complexity. Moreover, our SM-FFN proposes the self-modulation that intensifies the activations of more informative regions, which further strengthens the aggregated features. Extensive experiments are conducted on various datasets under both simulated and real-world noise, and it shows that our HSDT significantly outperforms the existing state-of-the-art methods while maintaining low computational overhead. Code is at https: //github.com/Zeqiang-Lai/HSDT.

We consider in this work quantities that can be obtained as limits of powers of parametrized matrices, for instance the inverse matrix or the logarithm of the determinant. Under the assumption of affine dependence in the parameters, we use the Empirical Interpolation Method (EIM) to derive an approximation for powers of these matrices, from which we derive a nonintrusive approximation for the aforementioned limits. We derive upper bounds of the error made by the obtained formula. Finally, numerical comparisons with classical intrusive and nonintrusive approximation techniques are provided: in the considered test-cases, our algorithm performs well compared to the nonintrusive ones.

In this paper, we develop and implement an efficient asymptotic-preserving (AP) scheme to solve the gas mixture of Boltzmann equations under the disparate mass scaling relevant to the so-called "epochal relaxation" phenomenon. The disparity in molecular masses, ranging across several orders of magnitude, leads to significant challenges in both the evaluation of collision operators and the designing of time-stepping schemes to capture the multi-scale nature of the dynamics. A direct implementation of the spectral method faces prohibitive computational costs as the mass ratio increases due to the need to resolve vastly different thermal velocities. Unlike [I. M. Gamba, S. Jin, and L. Liu, Commun. Math. Sci., 17 (2019), pp. 1257-1289], we propose an alternative approach based on proper truncation of asymptotic expansions of the collision operators, which significantly reduces the computational complexity and works well for small varepsilon. By incorporating the separation of three time scales in the model's relaxation process [P. Degond and B. Lucquin-Desreux, Math. Models Methods Appl. Sci., 6 (1996), pp. 405-436], we design an AP scheme that captures the specific dynamics of the disparate mass model while maintaining computational efficiency. Numerical experiments demonstrate the effectiveness of the proposed scheme in handling large mass ratios of heavy and light species, as well as capturing the epochal relaxation phenomenon.

In applications such as social, energy, transportation, sensor, and neuronal networks, high-dimensional data naturally reside on the vertices of weighted graphs. The emerging field of signal processing on graphs merges algebraic and spectral graph theoretic concepts with computational harmonic analysis to process such signals on graphs. In this tutorial overview, we outline the main challenges of the area, discuss different ways to define graph spectral domains, which are the analogues to the classical frequency domain, and highlight the importance of incorporating the irregular structures of graph data domains when processing signals on graphs. We then review methods to generalize fundamental operations such as filtering, translation, modulation, dilation, and downsampling to the graph setting, and survey the localized, multiscale transforms that have been proposed to efficiently extract information from high-dimensional data on graphs. We conclude with a brief discussion of open issues and possible extensions.

The recent surge in contrast-based graph self-supervised learning has prominently featured an intensified exploration of spectral cues. Spectral augmentation, which involves modifying a graph's spectral properties such as eigenvalues or eigenvectors, is widely believed to enhance model performance. However, an intriguing paradox emerges, as methods grounded in seemingly conflicting assumptions regarding the spectral domain demonstrate notable enhancements in learning performance. Through extensive empirical studies, we find that simple edge perturbations - random edge dropping for node-level and random edge adding for graph-level self-supervised learning - consistently yield comparable or superior performance while being significantly more computationally efficient. This suggests that the computational overhead of sophisticated spectral augmentations may not justify their practical benefits. Our theoretical analysis of the InfoNCE loss bounds for shallow GNNs further supports this observation. The proposed insights represent a significant leap forward in the field, potentially refining the understanding and implementation of graph self-supervised learning.

In a previous paper it was shown that a machine learning regression problem can be solved within the framework of random function theory, with the optimal kernel analytically derived from symmetry and indifference principles and coinciding with a polyharmonic spline. However, a direct application of that solution is limited by O(N^3) computational cost and by a breakdown of the original theoretical assumptions when the input space has excessive dimensionality. This paper proposes a cascade architecture built from packages of polyharmonic splines that simultaneously addresses scalability and is theoretically justified for problems with unknown intrinsic low dimensionality. Efficient matrix procedures are presented for forward computation and end-to-end differentiation through the cascade.

Despite their ubiquity throughout science and engineering, only a handful of partial differential equations (PDEs) have analytical, or closed-form solutions. This motivates a vast amount of classical work on numerical simulation of PDEs and more recently, a whirlwind of research into data-driven techniques leveraging machine learning (ML). A recent line of work indicates that a hybrid of classical numerical techniques and machine learning can offer significant improvements over either approach alone. In this work, we show that the choice of the numerical scheme is crucial when incorporating physics-based priors. We build upon Fourier-based spectral methods, which are known to be more efficient than other numerical schemes for simulating PDEs with smooth and periodic solutions. Specifically, we develop ML-augmented spectral solvers for three common PDEs of fluid dynamics. Our models are more accurate (2-4x) than standard spectral solvers at the same resolution but have longer overall runtimes (~2x), due to the additional runtime cost of the neural network component. We also demonstrate a handful of key design principles for combining machine learning and numerical methods for solving PDEs.

Diffusion models have been shown to implicitly generate visual content autoregressively in the frequency domain, where low-frequency components are generated earlier in the denoising process while high-frequency details emerge only in later timesteps. This structure offers a natural opportunity for efficient generation, as high-resolution computation on noise-dominated frequencies is largely redundant. We propose Spectral Progressive Diffusion, a general framework that progressively grows resolution along the denoising trajectory of pretrained diffusion models. To this end, we develop a spectral noise expansion mechanism and derive an optimal resolution schedule from the model's power spectrum. Our framework supports training-free acceleration and a novel fine-tuning recipe that further improves efficiency and quality. We demonstrate significant speedups on state-of-the-art pretrained image and video generation models while preserving visual quality.

Previously, methods for learning marginally stable linear dynamical systems either required the transition matrix to be symmetric or incurred regret bounds that scale polynomially with the system's hidden dimension. In this work, we introduce a novel method that overcomes this trade-off, achieving dimension-free regret despite the presence of asymmetric matrices and marginal stability. Our method combines spectral filtering with linear predictors and employs Chebyshev polynomials in the complex plane to construct a novel spectral filtering basis. This construction guarantees sublinear regret in an online learning framework, without relying on any statistical or generative assumptions. Specifically, we prove that as long as the transition matrix has eigenvalues with complex component bounded by 1/poly log T, then our method achieves regret O(T^{9/10}) when compared to the best linear dynamical predictor in hindsight.

Modern VLSI designs comprise tens of billions of components, making scalable hypergraph partitioning critical for parallel and hierarchical optimization. Although multilevel partitioning remains the dominant paradigm, its coarsening stage can distort structural information, especially in hypergraphs with many high-degree hyperedges, leading to increased refinement overhead and limited scalability. Recent approaches incorporate spectral information to guide coarsening, but only in a heuristic manner, without directly optimizing the partitioning objectives. We introduce HySpecPro, a single-level hypergraph partitioner that performs end-to-end optimization in a spectral embedding space. HySpecPro constructs embeddings from a bipartite Laplacian and performs efficient projection-based search, supported by a fully GPU-accelerated implementation. Experiments show that HySpecPro delivers cut quality comparable to state-of-the-art multilevel methods while scaling linearly with the total hyperedge degree.

The μ-parameterization (μP) provides a principled foundation for large language model (LLM) training by prescribing width-independent learning dynamics, which in turn enables predictable scaling behavior and robust hyperparameter transfer across model sizes. A central requirement of μP is the satisfaction of certain spectral conditions on weight matrices, which ensure consistent feature learning and optimization behavior as model width grows. While these conditions are well understood in theory, guaranteeing their validity in practical training for matrix-based optimizers such as Muon is still under studied. Existing works that study Muon under μP exhibit important limitations: they either do not ensure that the spectral conditions hold throughout the entire training horizon, or require repeated spectral normalization (or Newton-Schulz iterations) applied to both weights and updates, leading to significant computational overhead and reduced practicality. In this work, we show how to reliably guarantee the spectral conditions required by μP for Muon during the entire training process. Our key insight is that for moderately large models, maintaining spectral control at the level of optimizer updates alone is sufficient to preserve μP-compatible scaling, eliminating the need for explicit spectral normalization of the weights. Based on this principle, we develop a variant of Muon, namely Muon++, that satisfies spectral condition throughout the training process. Our results bridge the gap between the theoretical promises of μP and the practical deployment of matrix-based optimizers in long-horizon training. We also take the first step towards an adaptive spectral condition by incorporating data-dependent effects, making it better suited for long-horizon LLM training.

Recent works have established that AI models introduce spectral artifacts into generated images and propose approaches for learning to capture them using labeled data. However, the significant differences in such artifacts among different generative models hinder these approaches from generalizing to generators not seen during training. In this work, we build upon the key idea that the spectral distribution of real images constitutes both an invariant and highly discriminative pattern for AI-generated image detection. To model this under a self-supervised setup, we employ masked spectral learning using the pretext task of frequency reconstruction. Since generated images constitute out-of-distribution samples for this model, we propose spectral reconstruction similarity to capture this divergence. Moreover, we introduce spectral context attention, which enables our approach to efficiently capture subtle spectral inconsistencies in images of any resolution. Our spectral AI-generated image detection approach (SPAI) achieves a 5.5% absolute improvement in AUC over the previous state-of-the-art across 13 recent generative approaches, while exhibiting robustness against common online perturbations. Code is available on https://mever-team.github.io/spai.

Adapting large-scale pre-trained generative models in a parameter-efficient manner is gaining traction. Traditional methods like low rank adaptation achieve parameter efficiency by imposing constraints but may not be optimal for tasks requiring high representation capacity. We propose a novel spectrum-aware adaptation framework for generative models. Our method adjusts both singular values and their basis vectors of pretrained weights. Using the Kronecker product and efficient Stiefel optimizers, we achieve parameter-efficient adaptation of orthogonal matrices. We introduce Spectral Orthogonal Decomposition Adaptation (SODA), which balances computational efficiency and representation capacity. Extensive evaluations on text-to-image diffusion models demonstrate SODA's effectiveness, offering a spectrum-aware alternative to existing fine-tuning methods.

Several recent studies advocate the use of spectral discriminators, which evaluate the Fourier spectra of images for generative modeling. However, the effectiveness of the spectral discriminators is not well interpreted yet. We tackle this issue by examining the spectral discriminators in the context of perceptual image super-resolution (i.e., GAN-based SR), as SR image quality is susceptible to spectral changes. Our analyses reveal that the spectral discriminator indeed performs better than the ordinary (a.k.a. spatial) discriminator in identifying the differences in the high-frequency range; however, the spatial discriminator holds an advantage in the low-frequency range. Thus, we suggest that the spectral and spatial discriminators shall be used simultaneously. Moreover, we improve the spectral discriminators by first calculating the patch-wise Fourier spectrum and then aggregating the spectra by Transformer. We verify the effectiveness of the proposed method twofold. On the one hand, thanks to the additional spectral discriminator, our obtained SR images have their spectra better aligned to those of the real images, which leads to a better PD tradeoff. On the other hand, our ensembled discriminator predicts the perceptual quality more accurately, as evidenced in the no-reference image quality assessment task.

The analysis of the spectral features of a Toeplitz matrix-sequence left{T_{n}(f)right}_{ninmathbb N}, generated by a symbol fin L^1([-π,π]), real-valued almost everywhere (a.e.), has been provided in great detail in the last century, as well as the study of the conditioning, when f is nonnegative a.e. Here we consider a novel type of problem arising in the numerical approximation of distributed-order fractional differential equations (FDEs), where the matrices under consideration take the form \[ T_{n}=c_0T_{n}(f_0)+c_{1} h^h T_{n}(f_{1})+c_{2} h^{2h} T_{n}(f_{2})+\cdots+c_{n-1} h^{(n-1)h}T_{n}(f_{n-1}), \] c_0,c_{1},ldots, c_{n-1} in [c_*,c^*], c^*ge c_*>0, independent of n, h=1{n}, f_jsim g_j, g_j=|θ|^{2-jh}, j=0,ldots,n-1. Since the resulting generating function depends on n, the standard theory cannot be applied and the analysis has to be performed using new ideas. Few selected numerical experiments are presented, also in connection with matrices that come from distributed-order FDE problems, and the adherence with the theoretical analysis is discussed together with open questions and future investigations.

This paper studies sequence modeling for prediction tasks with long range dependencies. We propose a new formulation for state space models (SSMs) based on learning linear dynamical systems with the spectral filtering algorithm (Hazan et al. (2017)). This gives rise to a novel sequence prediction architecture we call a spectral state space model. Spectral state space models have two primary advantages. First, they have provable robustness properties as their performance depends on neither the spectrum of the underlying dynamics nor the dimensionality of the problem. Second, these models are constructed with fixed convolutional filters that do not require learning while still outperforming SSMs in both theory and practice. The resulting models are evaluated on synthetic dynamical systems and long-range prediction tasks of various modalities. These evaluations support the theoretical benefits of spectral filtering for tasks requiring very long range memory.

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.

Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which can be challenging for large, strongly-correlated systems. This issue has motivated the study of physically-inspired dynamical approaches such as thermodynamic cooling. In this work, we introduce a ground-state preparation algorithm based on the simulation of quantum dynamics. Our main insight is to transform the Hamiltonian by a shifted sign function via quantum signal processing, effectively mapping eigenvalues into positive and negative subspaces separated by a large gap. This automatically ensures that all states within each subspace conserve energy with respect to the transformed Hamiltonian. Subsequent time-evolution with a perturbed Hamiltonian induces transitions to lower-energy states while preventing unwanted jumps to higher energy states. The approach does not rely on a priori knowledge of energy gaps and requires no additional qubits to model a bath. Furthermore, it makes mathcal{O}(d^{,3/2}/epsilon) queries to the time-evolution operator of the system and mathcal{O}(d^{,3/2}) queries to a block-encoding of the perturbation, for d cooling steps and an epsilon-accurate energy resolution. Our results provide a framework for combining quantum signal processing and Hamiltonian simulation to design heuristic quantum algorithms for ground-state preparation.

Conditional diffusion inversion provides a powerful framework for unpaired image-to-image translation. However, we demonstrate through an extensive analysis that standard deterministic inversion (e.g. DDIM) fails when the source domain is spectrally sparse compared to the target domain (e.g., super-resolution, sketch-to-image). In these contexts, the recovered latent from the input does not follow the expected isotropic Gaussian distribution. Instead it exhibits a signal with lower frequencies, locking target sampling to oversmoothed and texture-poor generations. We term this phenomenon spectral collapse. We observe that stochastic alternatives attempting to restore the noise variance tend to break the semantic link to the input, leading to structural drift. To resolve this structure-texture trade-off, we propose Orthogonal Variance Guidance (OVG), an inference-time method that corrects the ODE dynamics to enforce the theoretical Gaussian noise magnitude within the null-space of the structural gradient. Extensive experiments on microscopy super-resolution (BBBC021) and sketch-to-image (Edges2Shoes) demonstrate that OVG effectively restores photorealistic textures while preserving structural fidelity.

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.

Teacher-Student Knowledge Transfer (KT) is ubiquitous in modern machine learning, ranging from classical model compression via Knowledge Distillation (KD) to the emergent phenomenon of Weak-to-Strong (W2S) generalization. While existing studies offer isolated insights, a unified theoretical framework explaining the efficacy of KT across these disparate regimes remains lacking. In this work, we establish a unified spectral analysis of SGD dynamics in high-dimensional linear regression, elucidating the efficiency of KT across seemingly disparate regimes. We characterize KT efficiency through two distinct mechanisms: Spectral Horizon Expansion in KD, which enables the capture of statistically inaccessible high-frequency signals, and Spectral Denoising in W2S, where the student acts as a filter for optimization noise. Our framework unifies these phenomena, revealing that the efficacy of transfer is governed by the interplay between implicit regularization and heterogeneous spectral learning speeds over the spectrum.

Foundation models have triggered a paradigm shift in computer vision and are increasingly being adopted in remote sensing, particularly for multispectral imagery. Yet, their potential in hyperspectral imaging (HSI) remains untapped due to the absence of comprehensive and globally representative hyperspectral datasets. To close this gap, we introduce SpectralEarth, a large-scale multi-temporal dataset designed to pretrain hyperspectral foundation models leveraging data from the Environmental Mapping and Analysis Program (EnMAP). SpectralEarth comprises 538,974 image patches covering 415,153 unique locations from more than 11,636 globally distributed EnMAP scenes spanning two years of archive. Additionally, 17.5% of these locations include multiple timestamps, enabling multi-temporal HSI analysis. Utilizing state-of-the-art self-supervised learning (SSL) algorithms, we pretrain a series of foundation models on SpectralEarth. We integrate a spectral adapter into classical vision backbones to accommodate the unique characteristics of HSI. In tandem, we construct four downstream datasets for land-cover and crop-type mapping, providing benchmarks for model evaluation. Experimental results support the versatility of our models, showcasing their generalizability across different tasks and sensors. We also highlight computational efficiency during model fine-tuning. The dataset, models, and source code will be made publicly available.

Hyperspectral image classification remains a challenging task due to the high dimensionality of spectral data, significant inter-band redundancy, and the limited availability of annotated samples. While recent transformer-based models have improved the global modeling of spectral-spatial dependencies, their scalability and adaptability under label-scarce conditions remain limited. In this work, we propose LoLA-SpecViT(Low-rank adaptation Local Attention Spectral Vision Transformer), a lightweight spectral vision transformer that addresses these limitations through a parameter-efficient architecture tailored to the unique characteristics of hyperspectral imagery. Our model combines a 3D convolutional spectral front-end with local window-based self-attention, enhancing both spectral feature extraction and spatial consistency while reducing computational complexity. To further improve adaptability, we integrate low-rank adaptation (LoRA) into attention and projection layers, enabling fine-tuning with over 80\% fewer trainable parameters. A novel cyclical learning rate scheduler modulates LoRA adaptation strength during training, improving convergence and generalisation. Extensive experiments on three benchmark datasets WHU-Hi LongKou, WHU-Hi HongHu, and Salinas demonstrate that LoLA-SpecViT consistently outperforms state-of-the-art baselines, achieving up to 99.91\% accuracy with substantially fewer parameters and enhanced robustness under low-label regimes. The proposed framework provides a scalable and generalizable solution for real-world HSI applications in agriculture, environmental monitoring, and remote sensing analytics. Our code is available in the following https://github.com/FadiZidiDz/LoLA-SpecViT{GitHub Repository}.

Whenever we use devices to take measurements, calibration is indispensable. While the purpose of calibration is to reduce bias and uncertainty in the measurements, it can be quite difficult, expensive, and sometimes even impossible to implement. We study a challenging problem called self-calibration, i.e., the task of designing an algorithm for devices so that the algorithm is able to perform calibration automatically. More precisely, we consider the setup y = A(d) x + epsilon where only partial information about the sensing matrix A(d) is known and where A(d) linearly depends on d. The goal is to estimate the calibration parameter d (resolve the uncertainty in the sensing process) and the signal/object of interests x simultaneously. For three different models of practical relevance, we show how such a bilinear inverse problem, including blind deconvolution as an important example, can be solved via a simple linear least squares approach. As a consequence, the proposed algorithms are numerically extremely efficient, thus potentially allowing for real-time deployment. We also present a variation of the least squares approach, which leads to a~spectral method, where the solution to the bilinear inverse problem can be found by computing the singular vector associated with the smallest singular value of a certain matrix derived from the bilinear system. Explicit theoretical guarantees and stability theory are derived for both techniques; and the number of sampling complexity is nearly optimal (up to a poly-log factor). Applications in imaging sciences and signal processing are discussed and numerical simulations are presented to demonstrate the effectiveness and efficiency of our approach.

We study the electron-positron to muon--anti-muon cross-section in the asymptotically safe Standard Model. In particular, we include the graviton contributions to the scattering amplitude, which is computed from momentum-dependent time-like one-particle-irreducible correlation functions. Specifically, we employ reconstruction techniques for the graviton spectral functions. We find that the full asymptotically safe quantum cross section decreases in the ultraviolet with the centre-of-mass energy, and is compatible with unitarity bounds. Importantly, our findings provide non-trivial evidence for the unitarity of the asymptotically safe Standard Model.

Artificial intelligence has made great strides in the last decade but still falls short of the human brain, the best-known example of intelligence. Not much is known of the neural processes that allow the brain to make the leap to achieve so much from so little beyond its ability to create knowledge structures that can be flexibly and dynamically combined, recombined, and applied in new and novel ways. This paper proposes a mathematical approach using graph theory and spectral graph theory, to hypothesize how to constrain these neural clusters of information based on eigen-relationships. This same hypothesis is hierarchically applied to scale up from the smallest to the largest clusters of knowledge that eventually lead to model building and reasoning.

Hyperspectral image (HSI) restoration aims at recovering clean images from degraded observations and plays a vital role in downstream tasks. Existing model-based methods have limitations in accurately modeling the complex image characteristics with handcraft priors, and deep learning-based methods suffer from poor generalization ability. To alleviate these issues, this paper proposes an unsupervised HSI restoration framework with pre-trained diffusion model (HIR-Diff), which restores the clean HSIs from the product of two low-rank components, i.e., the reduced image and the coefficient matrix. Specifically, the reduced image, which has a low spectral dimension, lies in the image field and can be inferred from our improved diffusion model where a new guidance function with total variation (TV) prior is designed to ensure that the reduced image can be well sampled. The coefficient matrix can be effectively pre-estimated based on singular value decomposition (SVD) and rank-revealing QR (RRQR) factorization. Furthermore, a novel exponential noise schedule is proposed to accelerate the restoration process (about 5times acceleration for denoising) with little performance decrease. Extensive experimental results validate the superiority of our method in both performance and speed on a variety of HSI restoration tasks, including HSI denoising, noisy HSI super-resolution, and noisy HSI inpainting. The code is available at https://github.com/LiPang/HIRDiff.

Hyperspectral pansharpening consists of fusing a high-resolution panchromatic band and a low-resolution hyperspectral image to obtain a new image with high resolution in both the spatial and spectral domains. These remote sensing products are valuable for a wide range of applications, driving ever growing research efforts. Nonetheless, results still do not meet application demands. In part, this comes from the technical complexity of the task: compared to multispectral pansharpening, many more bands are involved, in a spectral range only partially covered by the panchromatic component and with overwhelming noise. However, another major limiting factor is the absence of a comprehensive framework for the rapid development and accurate evaluation of new methods. This paper attempts to address this issue. We started by designing a dataset large and diverse enough to allow reliable training (for data-driven methods) and testing of new methods. Then, we selected a set of state-of-the-art methods, following different approaches, characterized by promising performance, and reimplemented them in a single PyTorch framework. Finally, we carried out a critical comparative analysis of all methods, using the most accredited quality indicators. The analysis highlights the main limitations of current solutions in terms of spectral/spatial quality and computational efficiency, and suggests promising research directions. To ensure full reproducibility of the results and support future research, the framework (including codes, evaluation procedures and links to the dataset) is shared on https://github.com/matciotola/hyperspectral_pansharpening_toolbox, as a single Python-based reference benchmark toolbox.

While spectral-based optimizers like Muon operate directly on the spectrum of updates, standard adaptive methods such as AdamW do not account for the global spectral structure of weights and gradients, leaving them vulnerable to two empirical issues in large language model (LLM) training: (i) the optimizer updates can have large spectral norms, potentially destabilizing training and degrading generalization; (ii) stochastic gradient noise can exhibit sparse spectral spikes, with a few dominant singular values much larger than the rest. We propose SPECTRA, a general framework addressing these by (i) post-spectral clipping of updates to enforce spectral-norm constraints; (ii) optional pre-spectral clipping of gradients to suppress spectral noise spikes. We prove that post-clipping constitutes a Composite Frank-Wolfe method with spectral-norm constraints and weight regularization, recovering Frobenius and ell_{infty}-norm regularization with SGD-based and sign-based methods. We further analyze how pre-clipping mitigates sparse spectral spikes. We propose efficient soft spectral clipping via Newton-Schulz iterations, avoiding expensive SVD. Experiments on LLM pretraining show SPECTRA uniformly improves validation loss for various optimizers, including AdamW, Signum, and AdEMAMix, with the best-performing variants achieving state-of-the-art results. Models trained with SPECTRA exhibit smaller weight norms, confirming the link between spectral clipping and regularization.

The {K_{1,1}, K_{1,2},C_m: mgeq3}-factor of a graph is a spanning subgraph whose each component is an element of {K_{1,1}, K_{1,2},C_m: mgeq3}. In this paper, through the graph spectral methods, we establish the lower bound of the signless Laplacian spectral radius and the upper bound of the distance spectral radius to determine whether a graph admits a {K_2}-factor. We get a lower bound on the size (resp. the spectral radius) of G to guarantee that G contains a {K_{1,1}, K_{1,2},C_m: mgeq3}-factor. Then we determine an upper bound on the distance spectral radius of G to ensure that G has a {K_{1,1}, K_{1,2},C_m: mgeq3}-factor. Furthermore, by constructing extremal graphs, we show that the above all bounds are best possible.

The growing computational demands posed by increasingly number of neural network's parameters necessitate low-memory-consumption training approaches. Previous memory reduction techniques, such as Low-Rank Adaptation (LoRA) and ReLoRA, suffer from the limitation of low rank and saddle point issues, particularly during intensive tasks like pre-training. In this paper, we propose Sparse Spectral Training (SST), an advanced training methodology that updates all singular values and selectively updates singular vectors of network weights, thereby optimizing resource usage while closely approximating full-rank training. SST refines the training process by employing a targeted updating strategy for singular vectors, which is determined by a multinomial sampling method weighted by the significance of the singular values, ensuring both high performance and memory reduction. Through comprehensive testing on both Euclidean and hyperbolic neural networks across various tasks, including natural language generation, machine translation, node classification and link prediction, SST demonstrates its capability to outperform existing memory reduction training methods and is comparable with full-rank training in some cases. On OPT-125M, with rank equating to 8.3% of embedding dimension, SST reduces the perplexity gap to full-rank training by 67.6%, demonstrating a significant reduction of the performance loss with prevalent low-rank methods. This approach offers a strong alternative to traditional training techniques, paving the way for more efficient and scalable neural network training solutions.

We report an optical method of generating arbitrary polarization states by manipulating the thicknesses of a pair of uniaxial birefringent plates, the optical axes of which are set at a crossing angle of {\pi}/4. The method has the remarkable feature of being able to generate a distribution of arbitrary polarization states in a group of highly discrete spectra without spatially separating the individual spectral components. The target polarization-state distribution is obtained as an optimal solution through an exploration. Within a realistic exploration range, a sufficient number of near-optimal solutions are found. This property is also reproduced well by a concise model based on a distribution of exploration points on a Poincar\'e sphere, showing that the number of near-optimal solutions behaves according to a power law with respect to the number of spectral components of concern. As a typical example of an application, by applying this method to a set of phase-locked highly discrete spectra, we numerically demonstrate the continuous generation of a vector-like optical electric field waveform, the helicity of which is alternated within a single optical cycle in the time domain.

Hyperspectral pansharpening has received much attention in recent years due to technological and methodological advances that open the door to new application scenarios. However, research on this topic is only now gaining momentum. The most popular methods are still borrowed from the more mature field of multispectral pansharpening and often overlook the unique challenges posed by hyperspectral data fusion, such as i) the very large number of bands, ii) the overwhelming noise in selected spectral ranges, iii) the significant spectral mismatch between panchromatic and hyperspectral components, iv) a typically high resolution ratio. Imprecise data modeling especially affects spectral fidelity. Even state-of-the-art methods perform well in certain spectral ranges and much worse in others, failing to ensure consistent quality across all bands, with the risk of generating unreliable results. Here, we propose a hyperspectral pansharpening method that explicitly addresses this problem and ensures uniform spectral quality. To this end, a single lightweight neural network is used, with weights that adapt on the fly to each band. During fine-tuning, the spatial loss is turned on and off to ensure a fast convergence of the spectral loss to the desired level, according to a hysteresis-like dynamic. Furthermore, the spatial loss itself is appropriately redefined to account for nonlinear dependencies between panchromatic and spectral bands. Overall, the proposed method is fully unsupervised, with no prior training on external data, flexible, and low-complexity. Experiments on a recently published benchmarking toolbox show that it ensures excellent sharpening quality, competitive with the state-of-the-art, consistently across all bands. The software code and the full set of results are shared online on https://github.com/giu-guarino/rho-PNN.

Spectral imaging offers promising applications across diverse domains, including medicine and urban scene understanding, and is already established as a critical modality in remote sensing. However, variability in channel dimensionality and captured wavelengths among spectral cameras impede the development of AI-driven methodologies, leading to camera-specific models with limited generalizability and inadequate cross-camera applicability. To address this bottleneck, we introduce CARL, a model for Camera-Agnostic Representation Learning across RGB, multispectral, and hyperspectral imaging modalities. To enable the conversion of a spectral image with any channel dimensionality to a camera-agnostic representation, we introduce a novel spectral encoder, featuring a self-attention-cross-attention mechanism, to distill salient spectral information into learned spectral representations. Spatio-spectral pre-training is achieved with a novel feature-based self-supervision strategy tailored to CARL. Large-scale experiments across the domains of medical imaging, autonomous driving, and satellite imaging demonstrate our model's unique robustness to spectral heterogeneity, outperforming on datasets with simulated and real-world cross-camera spectral variations. The scalability and versatility of the proposed approach position our model as a backbone for future spectral foundation models. Code and model weights are publicly available at https://github.com/IMSY-DKFZ/CARL.

The foundation model has recently garnered significant attention due to its potential to revolutionize the field of visual representation learning in a self-supervised manner. While most foundation models are tailored to effectively process RGB images for various visual tasks, there is a noticeable gap in research focused on spectral data, which offers valuable information for scene understanding, especially in remote sensing (RS) applications. To fill this gap, we created for the first time a universal RS foundation model, named SpectralGPT, which is purpose-built to handle spectral RS images using a novel 3D generative pretrained transformer (GPT). Compared to existing foundation models, SpectralGPT 1) accommodates input images with varying sizes, resolutions, time series, and regions in a progressive training fashion, enabling full utilization of extensive RS big data; 2) leverages 3D token generation for spatial-spectral coupling; 3) captures spectrally sequential patterns via multi-target reconstruction; 4) trains on one million spectral RS images, yielding models with over 600 million parameters. Our evaluation highlights significant performance improvements with pretrained SpectralGPT models, signifying substantial potential in advancing spectral RS big data applications within the field of geoscience across four downstream tasks: single/multi-label scene classification, semantic segmentation, and change detection.

Identifying a small molecule from its mass spectrum is the primary open problem in computational metabolomics. This is typically cast as information retrieval: an unknown spectrum is matched against spectra predicted computationally from a large database of chemical structures. However, current approaches to spectrum prediction model the output space in ways that force a tradeoff between capturing high resolution mass information and tractable learning. We resolve this tradeoff by casting spectrum prediction as a mapping from an input molecular graph to a probability distribution over molecular formulas. We discover that a large corpus of mass spectra can be closely approximated using a fixed vocabulary constituting only 2% of all observed formulas. This enables efficient spectrum prediction using an architecture similar to graph classification - GrAFF-MS - achieving significantly lower prediction error and orders-of-magnitude faster runtime than state-of-the-art methods.

We consider the problem of linear estimation, and establish an extension of the Gauss-Markov theorem, in which the bias operator is allowed to be non-zero but bounded with respect to a matrix norm of Schatten type. We derive simple and explicit formulas for the optimal estimator in the cases of Nuclear and Spectral norms (with the Frobenius case recovering ridge regression). Additionally, we analytically derive the generalization error in multiple random matrix ensembles, and compare with Ridge regression. Finally, we conduct an extensive simulation study, in which we show that the cross-validated Nuclear and Spectral regressors can outperform Ridge in several circumstances.

Inference-time scaling offers a versatile paradigm for aligning visual generative models with downstream objectives without parameter updates. However, existing approaches that optimize the high-dimensional initial noise suffer from severe inefficiency, as many search directions exert negligible influence on the final generation. We show that this inefficiency is closely related to a spectral bias in generative dynamics: model sensitivity to initial perturbations diminishes rapidly as frequency increases. Building on this insight, we propose Spectral Evolution Search (SES), a plug-and-play framework for initial noise optimization that executes gradient-free evolutionary search within a low-frequency subspace. Theoretically, we derive the Spectral Scaling Prediction from perturbation propagation dynamics, which explains the systematic differences in the impact of perturbations across frequencies. Extensive experiments demonstrate that SES significantly advances the Pareto frontier of generation quality versus computational cost, consistently outperforming strong baselines under equivalent budgets.

Hyperspectral unmixing (HU) is a very useful and increasingly popular preprocessing step for a wide range of hyperspectral applications. However, the HU research has been constrained a lot by three factors: (a) the number of hyperspectral images (especially the ones with ground truths) are very limited; (b) the ground truths of most hyperspectral images are not shared on the web, which may cause lots of unnecessary troubles for researchers to evaluate their algorithms; (c) the codes of most state-of-the-art methods are not shared, which may also delay the testing of new methods. Accordingly, this paper deals with the above issues from the following three perspectives: (1) as a profound contribution, we provide a general labeling method for the HU. With it, we labeled up to 15 hyperspectral images, providing 18 versions of ground truths. To the best of our knowledge, this is the first paper to summarize and share up to 15 hyperspectral images and their 18 versions of ground truths for the HU. Observing that the hyperspectral classification (HyC) has much more standard datasets (whose ground truths are generally publicly shared) than the HU, we propose an interesting method to transform the HyC datasets for the HU research. (2) To further facilitate the evaluation of HU methods under different conditions, we reviewed and implemented the algorithm to generate a complex synthetic hyperspectral image. By tuning the hyper-parameters in the code, we may verify the HU methods from four perspectives. The code would also be shared on the web. (3) To provide a standard comparison, we reviewed up to 10 state-of-the-art HU algorithms, then selected the 5 most benchmark HU algorithms, and compared them on the 15 real hyperspectral datasets. The experiment results are surely reproducible; the implemented codes would be shared on the web.

Parameterized quantum circuits are widely investigated in quantum machine learning, yet how their architecture can provide task-aligned inductive biases remains poorly understood. We study data reuploading quantum circuits with two distinct inputs: a signal that varies between samples and a fixed, task-defined spectral query that specifies how the signal should be probed. We show that encoding the query can change the circuit's hypothesis class over the signal by modulating how its existing signal frequencies are combined, without introducing new sample-dependent information. This mechanism matches tasks built on nonuniform Fourier transforms, whose evaluation frequencies specify the query and whose sampling positions guide its encoding. We examine this connection in a classification task inspired by synthetic aperture radar, where acquisition geometry determines a query for classifying unfocused spectral patches before image formation. Across small-scale spectral and radar-like tasks, aligned queries improve learning from limited data over parameter-matched circuits with mismatched or absent queries. These results provide a route from known spectral task structure to the design and validation of inductive biases in parameterized quantum circuits.

Learning PDE dynamics with neural solvers can significantly improve wall-clock efficiency and accuracy compared with classical numerical solvers. In recent years, foundation models for PDEs have largely adopted multi-scale windowed self-attention, with the scOT backbone in Poseidon serving as a representative example. However, because of their locality, truly globally consistent spectral coupling can only be propagated gradually through deep stacking and window shifting. This weakens global coupling and leads to error accumulation and drift during closed-loop rollouts. To address this, we propose DRIFT-Net. It employs a dual-branch design comprising a spectral branch and an image branch. The spectral branch is responsible for capturing global, large-scale low-frequency information, whereas the image branch focuses on local details and nonstationary structures. Specifically, we first perform controlled, lightweight mixing within the low-frequency range. Then we fuse the spectral and image paths at each layer via bandwise weighting, which avoids the width inflation and training instability caused by naive concatenation. The fused result is transformed back into the spatial domain and added to the image branch, thereby preserving both global structure and high-frequency details across scales. Compared with strong attention-based baselines, DRIFT-Net achieves lower error and higher throughput with fewer parameters under identical training settings and budget. On Navier--Stokes benchmarks, the relative L_{1} error is reduced by 7\%--54\%, the parameter count decreases by about 15\%, and the throughput remains higher than scOT. Ablation studies and theoretical analyses further demonstrate the stability and effectiveness of this design. The code is available at https://github.com/cruiseresearchgroup/DRIFT-Net.

Hyperspectral images (HSIs) often suffer from diverse and unknown degradations during imaging, leading to severe spectral and spatial distortions. Existing HSI restoration methods typically rely on specific degradation assumptions, limiting their effectiveness in complex scenarios. In this paper, we propose MP-HSIR, a novel multi-prompt framework that effectively integrates spectral, textual, and visual prompts to achieve universal HSI restoration across diverse degradation types and intensities. Specifically, we develop a prompt-guided spatial-spectral transformer, which incorporates spatial self-attention and a prompt-guided dual-branch spectral self-attention. Since degradations affect spectral features differently, we introduce spectral prompts in the local spectral branch to provide universal low-rank spectral patterns as prior knowledge for enhancing spectral reconstruction. Furthermore, the text-visual synergistic prompt fuses high-level semantic representations with fine-grained visual features to encode degradation information, thereby guiding the restoration process. Extensive experiments on 9 HSI restoration tasks, including all-in-one scenarios, generalization tests, and real-world cases, demonstrate that MP-HSIR not only consistently outperforms existing all-in-one methods but also surpasses state-of-the-art task-specific approaches across multiple tasks. The code and models will be released at https://github.com/ZhehuiWu/MP-HSIR.

Inverse inequalities are essential for controlling derivative growth and ensuring stable sampling in kernel approximation. Existing whole-space and single-scale estimates provide an established analytical basis, but their extension to multiscale analytic spaces on finite intervals requires uniform control of boundary effects and cross-scale cancellation. This paper establishes unweighted interval \(L^2\) inverse inequalities for spaces generated by primitives of kernels with positive exponential spectra. By retaining exterior diagonal energy and controlling off-diagonal interactions through one-sided estimates with endpoint-distance weights, we derive uniform coefficient bounds for normalized high derivatives. A synthesis-operator perturbation argument extends these bounds to positive spectral mixtures, while adjacent-derivative comparison and interval interpolation yield an inverse bound of order \(h_*^{-1}\), where \(h_*\) is the smallest scale. Under geometric scale separation and within-scale centre separation, the constant is independent of the number of scales and centres and their distances from the endpoints, allowing endpoint centres and coincident centres across scales. The coefficient lower bound approaches the optimal limit \(1/2\). Two-centre constructions establish the sharpness of the scale exponent for every fixed kernel in the class and, for a single exponential spectrum, a sharp deficit of order \(q^{-1/2}\) from \(1/2\) for the best uniform coefficient lower bound, where \(q\) is the derivative order. Numerical illustrations for Cauchy and logistic kernels demonstrate coefficient stability in several multiscale configurations. These results extend interval inverse estimates to multiscale analytic kernel spaces with endpoint centres and provide quantitative conditions for deterministic sampling stability.

Graph coarsening is a technique for solving large-scale graph problems by working on a smaller version of the original graph, and possibly interpolating the results back to the original graph. It has a long history in scientific computing and has recently gained popularity in machine learning, particularly in methods that preserve the graph spectrum. This work studies graph coarsening from a different perspective, developing a theory for preserving graph distances and proposing a method to achieve this. The geometric approach is useful when working with a collection of graphs, such as in graph classification and regression. In this study, we consider a graph as an element on a metric space equipped with the Gromov--Wasserstein (GW) distance, and bound the difference between the distance of two graphs and their coarsened versions. Minimizing this difference can be done using the popular weighted kernel K-means method, which improves existing spectrum-preserving methods with the proper choice of the kernel. The study includes a set of experiments to support the theory and method, including approximating the GW distance, preserving the graph spectrum, classifying graphs using spectral information, and performing regression using graph convolutional networks. Code is available at https://github.com/ychen-stat-ml/GW-Graph-Coarsening .

Exemplar methods separate a mixture by picking one learned spectrum per source and deforming it until it explains the observation, making one deformation class both reconstructor and selector. We show that the second role is empty as soon as the class can interpolate: the rule then ranks candidates on its regulariser, a choice made before the data, and the estimates sum back to the mixture whichever candidate wins. The condition is a parameter count, so the diagnosis runs before any experiment. On free per-bin deformation of complex spectra it explains the observed pathologies at once: a criterion that ranks candidates by their loudness, and half an output that is a mask on the mixture rather than an exemplar. The same theorem prescribes the repair, a selection class poorer than the reconstruction class: one complex gain and one pure delay rank the candidates, and a local combination of the best-aligned atoms, fitted jointly in closed form, rebuilds them. On MUSDB18 against the exact ceiling of the masking class, the distance between the criterion and an oracle inside its own candidate pool falls under the rigid selector from 6.2-7.7 to 0.5-2.8 dB, though only 0.9-1.2 dB of that reaches the output, and the per-frame latency of the deployed rule by a factor of 47 to 806. One lock remains, quantified: atoms are scored against the mixture, so the score carries a term for the other source that absorbs the capacity the reconstruction class gains, leaving the output 10.0 dB under the ceiling. Ranking hypotheses by the residual of a fit free enough to interpolate ranks them on the regulariser alone.

Compound identification and structure annotation from mass spectra is a well-established task widely applied in drug detection, criminal forensics, small molecule biomarker discovery and chemical engineering. We propose SpecTUS: Spectral Translator for Unknown Structures, a deep neural model that addresses the task of structural annotation of small molecules from low-resolution gas chromatography electron ionization mass spectra (GC-EI-MS). Our model analyzes the spectra in de novo manner -- a direct translation from the spectra into 2D-structural representation. Our approach is particularly useful for analyzing compounds unavailable in spectral libraries. In a rigorous evaluation of our model on the novel structure annotation task across different libraries, we outperformed standard database search techniques by a wide margin. On a held-out testing set, including 28267 spectra from the NIST database, we show that our model's single suggestion perfectly reconstructs 43\% of the subset's compounds. This single suggestion is strictly better than the candidate of the database hybrid search (common method among practitioners) in 76\% of cases. In a~still affordable scenario of~10 suggestions, perfect reconstruction is achieved in 65\%, and 84\% are better than the hybrid search.

We consider multi-dimensional quasiperiodic Schrödinger operators with monotone sawtooth-type potentials in the perturbative localization regime. We prove that a given gap is closed iff a corresponding (via a natural gap labeling) eigenfunction vanishes at the origin. Using this, we show that for a generic choice of the sampling function f, the spectrum of such an operator is a Cantor set, with all possible gaps being open. We also provide a class of functions f for which some gaps are closed. Finally, we observe that certain gaps are more difficult to close than the others.

We introduce an open-source package called QTraj that solves the Lindblad equation for heavy-quarkonium dynamics using the quantum trajectories algorithm. The package allows users to simulate the suppression of heavy-quarkonium states using externally-supplied input from 3+1D hydrodynamics simulations. The code uses a split-step pseudo-spectral method for updating the wave-function between jumps, which is implemented using the open-source multi-threaded FFTW3 package. This allows one to have manifestly unitary evolution when using real-valued potentials. In this paper, we provide detailed documentation of QTraj 1.0, installation instructions, and present various tests and benchmarks of the code.

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.

In recent years, multiple notions of algorithmic fairness have arisen. One such notion is individual fairness (IF), which requires that individuals who are similar receive similar treatment. In parallel, matrix estimation (ME) has emerged as a natural paradigm for handling noisy data with missing values. In this work, we connect the two concepts. We show that pre-processing data using ME can improve an algorithm's IF without sacrificing performance. Specifically, we show that using a popular ME method known as singular value thresholding (SVT) to pre-process the data provides a strong IF guarantee under appropriate conditions. We then show that, under analogous conditions, SVT pre-processing also yields estimates that are consistent and approximately minimax optimal. As such, the ME pre-processing step does not, under the stated conditions, increase the prediction error of the base algorithm, i.e., does not impose a fairness-performance trade-off. We verify these results on synthetic and real data.

Hyperspectral Image (HSI) reconstruction has made gratifying progress with the deep unfolding framework by formulating the problem into a data module and a prior module. Nevertheless, existing methods still face the problem of insufficient matching with HSI data. The issues lie in three aspects: 1) fixed gradient descent step in the data module while the degradation of HSI is agnostic in the pixel-level. 2) inadequate prior module for 3D HSI cube. 3) stage interaction ignoring the differences in features at different stages. To address these issues, in this work, we propose a Pixel Adaptive Deep Unfolding Transformer (PADUT) for HSI reconstruction. In the data module, a pixel adaptive descent step is employed to focus on pixel-level agnostic degradation. In the prior module, we introduce the Non-local Spectral Transformer (NST) to emphasize the 3D characteristics of HSI for recovering. Moreover, inspired by the diverse expression of features in different stages and depths, the stage interaction is improved by the Fast Fourier Transform (FFT). Experimental results on both simulated and real scenes exhibit the superior performance of our method compared to state-of-the-art HSI reconstruction methods. The code is released at: https://github.com/MyuLi/PADUT.

Previous research has shown that the principal singular vectors of a pre-trained model's weight matrices capture critical knowledge. In contrast, those associated with small singular values may contain noise or less reliable information. As a result, the LoRA-based parameter-efficient fine-tuning (PEFT) approach, which does not constrain the use of the spectral space, may not be effective for tasks that demand high representation capacity. In this study, we enhance existing PEFT techniques by incorporating the spectral information of pre-trained weight matrices into the fine-tuning process. We investigate spectral adaptation strategies with a particular focus on the additive adjustment of top singular vectors. This is accomplished by applying singular value decomposition (SVD) to the pre-trained weight matrices and restricting the fine-tuning within the top spectral space. Extensive speaker verification experiments on VoxCeleb1 and CN-Celeb1 demonstrate enhanced tuning performance with the proposed approach. Code is released at https://github.com/lizhepolyu/SpectralFT.

We present an open-source Python library for simulating two-dimensional incompressible Kelvin-Helmholtz instabilities in stratified shear flows. The solver employs a fractional-step projection method with spectral Poisson solution via Fast Sine Transform, achieving second-order spatial accuracy. Implementation leverages NumPy, SciPy, and Numba JIT compilation for efficient computation. Four canonical test cases explore Reynolds numbers 1000--5000 and Richardson numbers 0.1--0.3: classical shear layer, double shear configuration, rotating flow, and forced turbulence. Statistical analysis using Shannon entropy and complexity indices reveals that double shear layers achieve 2.8times higher mixing rates than forced turbulence despite lower Reynolds numbers. The solver runs efficiently on standard desktop hardware, with 384times192 grid simulations completing in approximately 31 minutes. Results demonstrate that mixing efficiency depends on instability generation pathways rather than intensity measures alone, challenging Richardson number-based parameterizations and suggesting refinements for subgrid-scale representation in climate models.

We reanalyze the spectral lag data for GRB 160625B using frequentist inference in order to constrain the energy scale (E_{QG}) of Lorentz Invariance Violation (LIV). For this purpose, we use profile likelihood to deal with the astrophysical nuisance parameters. This is in contrast to Bayesian inference implemented in previous works, where marginalization was carried out over the nuisance parameters. We show that with profile likelihood, we do not find a global minimum for chi^2 as a function of E_{QG} below the Planck scale for both linear and quadratic models of LIV, whereas bounded credible intervals were previously obtained using Bayesian inference. Therefore, we can set one-sided lower limits in a straightforward manner. We find that E_{QG} geq 2.55 times 10^{16} GeV and E_{QG} geq 1.85 times 10^7 GeV at 95\% c.l., for linear and quadratic LIV, respectively. Therefore, this is the first proof-of-principles application of profile likelihood method to the analysis of GRB spectral lag data to constrain LIV.

We study the complexity of sampling from a distribution over all index subsets of the set {1,...,n} with the probability of a subset S proportional to the determinant of the submatrix L_S of some ntimes n p.s.d. matrix L, where L_S corresponds to the entries of L indexed by S. Known as a determinantal point process, this distribution is used in machine learning to induce diversity in subset selection. In practice, we often wish to sample multiple subsets S with small expected size k = E[|S|] ll n from a very large matrix L, so it is important to minimize the preprocessing cost of the procedure (performed once) as well as the sampling cost (performed repeatedly). For this purpose, we propose a new algorithm which, given access to L, samples exactly from a determinantal point process while satisfying the following two properties: (1) its preprocessing cost is n cdot poly(k), i.e., sublinear in the size of L, and (2) its sampling cost is poly(k), i.e., independent of the size of L. Prior to our results, state-of-the-art exact samplers required O(n^3) preprocessing time and sampling time linear in n or dependent on the spectral properties of L. We also give a reduction which allows using our algorithm for exact sampling from cardinality constrained determinantal point processes with ncdotpoly(k) time preprocessing.

Low-rank adaptation~(LoRA) has recently gained much interest in fine-tuning foundation models. It effectively reduces the number of trainable parameters by incorporating low-rank matrices A and B to represent the weight change, i.e., Delta W=BA. Despite LoRA's progress, it faces storage challenges when handling extensive customization adaptations or larger base models. In this work, we aim to further compress trainable parameters by enjoying the powerful expressiveness of the Fourier transform. Specifically, we introduce FourierFT, which treats Delta W as a matrix in the spatial domain and learns only a small fraction of its spectral coefficients. With the trained spectral coefficients, we implement the inverse discrete Fourier transform to recover Delta W. Empirically, our FourierFT method shows comparable or better performance with fewer parameters than LoRA on various tasks, including natural language understanding, natural language generation, instruction tuning, and image classification. For example, when performing instruction tuning on the LLaMA2-7B model, FourierFT surpasses LoRA with only 0.064M trainable parameters, compared to LoRA's 33.5M. Our code is released at https://github.com/Chaos96/fourierft.

In recent years, spectral clustering has become one of the most popular modern clustering algorithms. It is simple to implement, can be solved efficiently by standard linear algebra software, and very often outperforms traditional clustering algorithms such as the k-means algorithm. On the first glance spectral clustering appears slightly mysterious, and it is not obvious to see why it works at all and what it really does. The goal of this tutorial is to give some intuition on those questions. We describe different graph Laplacians and their basic properties, present the most common spectral clustering algorithms, and derive those algorithms from scratch by several different approaches. Advantages and disadvantages of the different spectral clustering algorithms are discussed.

We provide an efficient method for computing the maximum likelihood mixed quantum state (with density matrix ρ) given a set of measurement outcome in a complete orthonormal operator basis subject to Gaussian noise. Our method works by first changing basis yielding a candidate density matrix μ which may have nonphysical (negative) eigenvalues, and then finding the nearest physical state under the 2-norm. Our algorithm takes at worst O(d^4) for the basis change plus O(d^3) for finding ρ where d is the dimension of the quantum state. In the special case where the measurement basis is strings of Pauli operators, the basis change takes only O(d^3) as well. The workhorse of the algorithm is a new linear-time method for finding the closest probability distribution (in Euclidean distance) to a set of real numbers summing to one.

Despite the recent visually-pleasing results achieved, the massive computational cost has been a long-standing flaw for diffusion probabilistic models (DPMs), which, in turn, greatly limits their applications on resource-limited platforms. Prior methods towards efficient DPM, however, have largely focused on accelerating the testing yet overlooked their huge complexity and sizes. In this paper, we make a dedicated attempt to lighten DPM while striving to preserve its favourable performance. We start by training a small-sized latent diffusion model (LDM) from scratch, but observe a significant fidelity drop in the synthetic images. Through a thorough assessment, we find that DPM is intrinsically biased against high-frequency generation, and learns to recover different frequency components at different time-steps. These properties make compact networks unable to represent frequency dynamics with accurate high-frequency estimation. Towards this end, we introduce a customized design for slim DPM, which we term as Spectral Diffusion (SD), for light-weight image synthesis. SD incorporates wavelet gating in its architecture to enable frequency dynamic feature extraction at every reverse steps, and conducts spectrum-aware distillation to promote high-frequency recovery by inverse weighting the objective based on spectrum magni tudes. Experimental results demonstrate that, SD achieves 8-18x computational complexity reduction as compared to the latent diffusion models on a series of conditional and unconditional image generation tasks while retaining competitive image fidelity.

Partial differential equations (PDEs) are important tools to model physical systems, and including them into machine learning models is an important way of incorporating physical knowledge. Given any system of linear PDEs with constant coefficients, we propose a family of Gaussian process (GP) priors, which we call EPGP, such that all realizations are exact solutions of this system. We apply the Ehrenpreis-Palamodov fundamental principle, which works like a non-linear Fourier transform, to construct GP kernels mirroring standard spectral methods for GPs. Our approach can infer probable solutions of linear PDE systems from any data such as noisy measurements, or pointwise defined initial and boundary conditions. Constructing EPGP-priors is algorithmic, generally applicable, and comes with a sparse version (S-EPGP) that learns the relevant spectral frequencies and works better for big data sets. We demonstrate our approach on three families of systems of PDE, the heat equation, wave equation, and Maxwell's equations, where we improve upon the state of the art in computation time and precision, in some experiments by several orders of magnitude.

We introduce Recursive Operator Localization (ROL), a framework for constructing hierarchies of local energy problems linked by linear maps between Hilbert spaces. To address spectral-gap problems, including those arising in quantum systems, we study a realization of ROL by nested subspaces indexed by a weighted simplicial complex. Using spectral gaps of auxiliary classical random walks on links, we propagate geometric estimates upward and use them to turn local spectral gaps at the bottom of the hierarchy into a spectral-gap bound for the global operator. For weighted scalar-valued functions on facets, the ROL decomposition becomes the law of total variance, recovering classical spectral-gap bounds from local link expansion (Alev and Lau, STOC 2020). Moreover, for positive binary spin distributions, conditional influence describes the overlap of the corresponding subspaces, yielding known heat-bath gap bounds from spectral independence (Anari, Liu, and Oveis Gharan, FOCS 2020). The framework also offers a route toward quantum Gibbs sampling, with applications requiring model-specific geometric estimates and energy comparisons.

Modeling long-range dependencies in time series generation poses a fundamental trade-off between representational capacity and computational efficiency. Traditional temporal diffusion models suffer from local entanglement and the O(L^2) cost of attention mechanisms. We address these limitations by introducing PaCoDi (Parallel Complex Diffusion), a spectral-native architecture that decouples generative modeling in the frequency domain. PaCoDi fundamentally alters the problem topology: the Fourier Transform acts as a diagonalizing operator, converting locally coupled temporal signals into globally decorrelated spectral components. Theoretically, we prove the Quadrature Forward Diffusion and Conditional Reverse Factorization theorem, demonstrating that the complex diffusion process can be split into independent real and imaginary branches. We bridge the gap between this decoupled theory and data reality using a Mean Field Theory (MFT) approximation reinforced by an interactive correction mechanism. Furthermore, we generalize this discrete DDPM to continuous-time Frequency SDEs, rigorously deriving the Spectral Wiener Process describe the differential spectral Brownian motion limit. Crucially, PaCoDi exploits the Hermitian Symmetry of real-valued signals to compress the sequence length by half, achieving a 50% reduction in attention FLOPs without information loss. We further derive a rigorous Heteroscedastic Loss to handle the non-isotropic noise distribution on the compressed manifold. Extensive experiments show that PaCoDi outperforms existing baselines in both generation quality and inference speed, offering a theoretically grounded and computationally efficient solution for time series modeling.

We demonstrate a compact, cost-effective snapshot spectral imaging system named Aperture Diffraction Imaging Spectrometer (ADIS), which consists only of an imaging lens with an ultra-thin orthogonal aperture mask and a mosaic filter sensor, requiring no additional physical footprint compared to common RGB cameras. Then we introduce a new optical design that each point in the object space is multiplexed to discrete encoding locations on the mosaic filter sensor by diffraction-based spatial-spectral projection engineering generated from the orthogonal mask. The orthogonal projection is uniformly accepted to obtain a weakly calibration-dependent data form to enhance modulation robustness. Meanwhile, the Cascade Shift-Shuffle Spectral Transformer (CSST) with strong perception of the diffraction degeneration is designed to solve a sparsity-constrained inverse problem, realizing the volume reconstruction from 2D measurements with Large amount of aliasing. Our system is evaluated by elaborating the imaging optical theory and reconstruction algorithm with demonstrating the experimental imaging under a single exposure. Ultimately, we achieve the sub-super-pixel spatial resolution and high spectral resolution imaging. The code will be available at: https://github.com/Krito-ex/CSST.

In this paper, we study solution operators of physical field equations on geometric meshes from a function-space perspective. We reveal that Hodge orthogonality fundamentally resolves spectral interference by isolating unlearnable topological degrees of freedom from learnable geometric dynamics, enabling an additive approximation confined to structure-preserving subspaces. Building on Hodge theory and operator splitting, we derive a principled operator-level decomposition. The result is a Hybrid Eulerian-Lagrangian architecture with an algebraic-level inductive bias we call Hodge Spectral Duality (HSD). In our framework, we use discrete differential forms to capture topology-dominated components and an orthogonal auxiliary ambient space to represent complex local dynamics. Our method achieves superior accuracy and efficiency on geometric graphs with enhanced fidelity to physical invariants. Our code is available at https://github.com/ContinuumCoder/Hodge-Spectral-Duality

A multiplicative dual-encoder network computes a real-valued output for a pair of inputs as the inner product of their separate encodings. This architecture has been developed independently in operator learning, bipartite matching, contrastive vision-language models, retrieval, and other areas, yet no unified theory guides the basic design decisions: how many interaction modes to represent, how to normalize the encoders, and when the architecture should be avoided. We provide such a foundation by introducing the class of functions of low interaction rank, a class whose intrinsic complexity is measured by its interaction spectrum. Within this framework, approximation error decomposes into a spectral truncation term and an encoder-realization term; sample complexity is governed by the sum of the two encoder complexities rather than their product; and a usability criterion based on spectral decay determines when the architecture can succeed. The same framework exposes a central identifiability problem: the encoders are defined only up to a linear gauge symmetry that leaves the learned coordinates arbitrary. We show that normalization is gauge fixing and that whitening pins the interaction modes up to permutation and sign, thereby explaining the uninterpretability of contrastive dimensions and providing a constructive remedy. Experiments on synthetic kernels, operator learning, and CLIP models validate the theoretical predictions: spectral decay rates match the predicted scaling, whitening recovers the true modes, and independently trained CLIP models are related by a single rotation which, after removal by whitening, exposes interpretable concept axes. The code of this paper is provided at https://github.com/RS2002/Mul-Net .