Kernel Methods

Higher-order interaction components are important for signal, image, and video modeling, but explicit high-order operators often suffer from rapidly increasing parameter and computational costs. This paper presents kVNN, a learnable kernelized Volterra Neural operator for compact higher-order filtering. The motivation is to use kernelization to improve the efficiency of Volterra-type neural operators while providing a structured interpretation of their higher-order components. The proposed formulation combines the order-wise structure of Volterra filtering with learnable polynomial-kernel atoms, allowing different interaction orders to be represented by separate learnable centers and coefficients. This order-decoupled representation avoids explicit high-order tensor parameterization and can be implemented as a CNN-compatible layer. Experiments on representative vision tasks show that kVNN achieves a favorable accuracy--efficiency trade-off.

Multiple kernel $k$-means integrates complementary nonlinear similarities by learning a combination of base kernels. Its pointwise optimization, however, is sensitive to noisy and boundary samples and repeatedly operates on sample-scale kernel matrices. Granular-ball representations organize local sample groups into mesoscopic units, but granular balls generated once in the input space may be inconsistent with the fused-kernel geometry that evolves during multiple kernel learning. We propose dynamic kernel-space granular-ball multiple kernel $k$-means (DK-GBMKKM). The method generates granular balls in the current fused kernel space and alternates kernel-weight learning with granular-ball membership updates, allowing the representation to adapt to changes in the fused-kernel geometry. A sample-size-weighted granular-ball kernel is further constructed to preserve the contributions of balls of different sizes, and its positive semidefiniteness and related equivalence properties are established. Experiments on 12 public datasets demonstrate the strong overall clustering performance of DK-GBMKKM. The code has been open-sourced for reproducibility: https://github.com/lianxiaoyu724/DK-GBMKKM.

We present a natively multiscale operator learning method for the surrogate modeling of (numerical solvers for) multiscale partial differential equations (PDEs). The primary novelty of our method lies in a novel multiscale kernel frame function approximation technique. Leveraging this new kernel frame technique, we cast the operator learning problem as one of learning frame coefficients of output functions as a function of frame coefficients of input functions. The generalization step then automatically allows for a multiscale decomposition of the output functions. Our method is applicable to both tensor-product grids and point clouds. We present interpolation proofs, error estimates, and numerical convergence rates for our frame approximation. We the demonstrate the applicability of our method for the surrogate modeling of inherently multiscale PDEs. The new multiscale frame kernel method is significantly more accurate than popular neural operators on challenging problems from the literature, while simultaneously admitting an a posteriori multiscale decomposition upon generalization.

Bayesian optimization (BO) is a sample-efficient framework for analog circuit topology search, where evaluating each candidate topology can require costly simulation. However, representation-based BO methods typically treat circuit embeddings as fixed after encoder training. This creates a mismatch between representation learning and optimization: embeddings learned to encode or reconstruct circuit structure are not necessarily organized according to the figure of merit (FoM) being optimized. This paper introduces Test-Time Analog Representation Adaptation for Bayesian Optimization (TTARO), an online deep-kernel BO framework that adapts circuit representations throughout the search process. Starting from pretrained circuit embeddings, TTARO jointly learns a nonlinear feature transformation and a Gaussian-process surrogate using the FoM labels of the circuits evaluated so far. Following each new evaluation, TTARO updates the representation and surrogate before selecting the next candidate. We compare TTARO with conventional Gaussian Process-based BO over fixed embeddings and with Deep Kernel Learning (DKL), which learns the representation only from the initial evaluated designs and keeps it fixed throughout the remainder of the search. By continually incorporating newly observed FoM labels into representation learning, TTARO aligns the search space with the optimization objective as BO progresses. In our experiments, TTARO reduces regret AUC by 15.2% on average relative to BO and by 20.7% relative to DKL across 40 encoder/kernel/acquisition settings, outperforming prior art in most settings with reductions as large as 46.7%.

Learning mappings between infinite-dimensional objects is a central challenge in scientific machine learning. We introduce a general kernel-based encoder-decoder framework for operator learning that separates observation, representation, learning, and reconstruction. We develop this framework for multi-input, multi-output operator learning, where operators map between products of potentially distinct function spaces. Our approximation theory shows that, although the number of inputs and outputs can increase, the convergence rate is governed by the most challenging constituent approximation problem rather than the overall problem dimension. The framework leads to practical kernel methods with closed-form training and inference, combining mathematical tractability with computational efficiency. We further specialize the approach to multiple operator learning by introducing KernelMO, a family of kernel methods with complementary operator-valued and product-space formulations. Across five families of parametric partial differential equations, the proposed methods achieve competitive or state-of-the-art predictive accuracy while reducing training and inference costs relative to neural operator architectures and deep learning based models, offering an efficient and lightweight alternative.

\texttt{TensorSketch} by~\cite{pham2013fast,kar2012random} provides efficient sketching algorithms for high-dimensional polynomial kernels $\vec{x}^{\otimes p} \in \R^{d^p}$. \cite{kar2012random} uses dense Johnson-Lindenstrauss (JL)-type projections with computational cost $O(pDd)$, where $D$ denotes the sketch dimension, whereas~\cite{pham2013fast} extends the sparse \texttt{CountSketch}\citep{count_sketch} algorithm, yielding a faster algorithm for high-dimensional sparse inputs with running time $O\big(p(\nnz{\vec{x}} + D \log D)\big)$. However, the variance of both estimators grows exponentially with the polynomial degree $p$, scaling as $3^{p}/D$. Recent work by\cite{pmlr-v206-wacker23a} showed that using complex-valued distribution reduces this dependence to $2^{p}/D$ for the approach of~\cite{kar2012random}. However, their method relies on dense JL-type projections with computational cost $O(pDd)$ and does not extend to the algorithm of~\cite{pham2013fast}. In this work, we introduce a simple variant of \texttt{TensorSketch}\citep{pham2013fast} that achieves the same variance bound as\cite{pmlr-v206-wacker23a}, while retaining its advantage of the input-sparsity running time. We validate our results with supporting experiments on synthetic and real-world datasets.

Kernel spectral clustering with a single bandwidth can be inadequate for data exhibiting multiple characteristic pairwise-distance scales, a problem particularly prevalent in the high-dimensional regime. We address this issue through a multi-kernel formulation that aggregates kernels with different bandwidths. The bandwidths are selected as prescribed empirical quantiles of the pairwise squared distances, thereby capturing the relevant distance scales without requiring prior population-scale information. We develop a rigorous theoretical analysis of the resulting method under a general high-dimensional, multi-scale mixture model with heterogeneous cluster centers and covariance geometries. We construct a blockwise constant, low-rank informative approximation to the empirical multi-kernel matrix and establish row-wise $\ell_{2,\infty}$ perturbation bounds for its leading spectral components, as well as for the associated normalized Laplacian matrix. These bounds yield observation-level control of the spectral embedding, which is more informative than conventional global eigenspace perturbation estimates. Under suitable eigen-gap and cluster-separation conditions, we show that approximate $K$-means applied to the multi-kernel spectral embedding achieves exact recovery with high probability.

Developing nonlinear models that are both expressive and computationally efficient remains a challenge in machine learning and nonlinear system identification. Tensor network kernel machines (TNKM) address this challenge by combining nonlinear feature representations with compact low-rank tensor-network parameterizations. However, practical and extensible software frameworks for developing TNKM models remain limited. In this work, we introduce "tnkm", an open-source Python library for constructing and training TNKM models using JAX. The library provides a unified interface for combining different feature maps, tensor-network architectures, and optimization strategies, including alternating least squares and gradient-based methods. We demonstrate the capabilities of "tnkm" on nonlinear benchmark problems, showing that the implemented models achieve competitive prediction accuracy while retaining compact parameterizations and efficient training. The proposed framework facilitates reproducible development and application of tensor-network-based learning methods.

We propose a family of random feature maps for scalable kernel machines on low-dimensional subspaces, ie on the Grassmannian manifold. Such representations are useful when data classes or clusters are well described by the span of a few samples. Classical Grassmannian kernels, including the projection and Binet-Cauchy kernels, require full Gram matrices, which leads to prohibitive computational and memory costs for large high-dimensional subspace datasets. We address this limitation using random features based on rank-one projections of subspace projection matrices followed by bounded non-linear transforms, either periodic or binary, to control the resulting distributions. We show that inner products in the random feature space approximate well-defined rotation-invariant Grassmannian kernels that depend only on the principal angles between subspaces. When the number of features is sufficiently large relative to the intrinsic subspace dimension, the approximation holds uniformly over all fixed-dimensional subspaces with high probability. For periodic transforms, the approximated kernel has a closed-form expression with tunable behaviour between inverse Binet-Cauchy and Gaussian-type regimes. Binary transforms yield compact one-bit subspace features, although no closed-form kernel is known. Structured rank-one projections based on randomised fast Fourier transforms further reduce computation without sacrificing practical accuracy. Experiments on synthetic data and ETH-80 classification tasks show that these features accurately preserve Grassmannian geometry while reducing computation, memory, and storage. Rank-one embeddings therefore provide a practical and scalable alternative to classical Grassmannian kernels.

The performance of Support Vector Machines (SVMs) critically depends on the kernel function choice, which enables implicit mapping of data into high-dimensional feature spaces. While classical kernels like Radial Basis Function (RBF) remain popular, orthogonal polynomial kernels offer mathematically interpretable alternatives that can incorporate structured prior knowledge. This work extends the orthogonal polynomial kernel paradigm by introducing a novel family based on discrete $q$-Hermite I polynomials, a class of $q$-orthogonal polynomials that generalize classical Hermite polynomials through a deformation parameter $q$. We formally define the q-Hermite kernel and establish its validity under Mercer's theorem. The kernel's inherent boundedness properties naturally prevent annihilation and explosion effects without requiring explicit scaling mechanisms. Extensive experiments across 20 benchmark datasets demonstrate that the proposed kernel achieves competitive performance compared to both classical kernels and other orthogonal polynomial kernels, while offering advantages in numerical stability and computational simplicity. Our results confirm that $q$-orthogonal polynomials constitute a promising direction for kernel design, bridging mathematical elegance with practical machine learning applications, that provides conceptual and algorithmic resources that may be further extended to emerging quantum computing paradigms. To facilitate full reproducibility, we provide the complete implementation and experimental pipeline in an open-access GitHub repository at https://github.com/Kokechacho/SVMs-QSVMs.

We study expected improvement (EI) for minimizing a deterministic function $f$ in the RKHS $\mathcal H_k$ of a continuous positive-semidefinite kernel $k$ on a nonempty compact set $\mathcal X\subset\mathbb R^d$. Function values are observed exactly, and EI is computed from a fixed zero-mean Gaussian-process model with covariance $σ^2k$, $σ>0$. A weak-EI policy queries a point whose EI is at least a fixed positive fraction of its maximum. We introduce a notion of sequential separation radius relating ranked selected-point innovation norms to Kolmogorov widths, drawing on greedy approximation. Standard power-function estimates from scattered-data approximation and a finite-budget regret argument yield the rates. After $N$ post-initial queries, every weak-EI policy has simple regret $O(N^{-ν/d})$ for isotropic Matérn kernels of smoothness $ν>0$ and $O(\exp[-c_1\min\{N,N^{1/d}\log(eN)\}])$ for the isotropic squared-exponential kernel, with $c_1>0$. For $d=1$, the sharper bound $O(\exp[-c_2N\log(eN)])$ holds for exact EI, with $c_2>0$. These bounds are uniform over each fixed RKHS ball. If $\mathcal X$ has nonempty interior and $B>0$, the exact EI policy is minimax-rate optimal over the RKHS ball of radius $B$ for Matérn kernels, even among randomized strategies whose final recommendation need not be a query point. For the squared-exponential kernel, it is minimax-rate optimal up to constants in the exponent among deterministic methods whose final recommendation may be any point of $\mathcal X$.

Objective evaluation of expressive MIDI piano performances typically relies on attribute statistics such as timing, velocity, and duration of individual notes. However, these methods often disregard dependencies between notes, which poses a potential limitation in assessing the similarity between two sets of performances. In generative applications, the wide variety of expressive attributes makes it difficult to aggregate them into a single scalar metric for model selection. In this work, we reexamine attribute-scoped metrics and explore the perceptual properties of contextual embeddings from self-supervised symbolic music models, Aria and CLaMP3. Results from our listening study indicate that these models can be used as perceptual proxies, showing agreement with per-sample human ratings on par with traditional metrics. To measure conditional distributional similarity, we adapt Kernel Audio Distance to the symbolic music domain. Unlike Pearson correlation and reconstruction error, kernel-based methods on contextual embeddings do not require note alignment and are sensitive to contextual perturbations. To facilitate reproducibility, we release Pereval, an open-source library that integrates performance evaluation utilities, including both attribute-scoped and deep feature metrics.

Physics-informed machine learning incorporates physical principles --often expressed via differential operators-- into data-driven models. While physics-informed neural networks (PINNs) dominate empirical applications, the complexity of neural network architectures and optimization landscapes hinders the development of a corresponding learning theory. In turn, kernel methods offer an appealing alternative with closed-form solutions and analytical tractability, yet existing guarantees primarily cover the well-specified setting where the target belongs to the native Reproducing Kernel Hilbert Space (RKHS). This imposes unrealistic regularity assumptions that physical targets often fail to satisfy. In this paper, we introduce and analyze Physics-Informed Kernel methodS (PIKS). We establish the universal consistency of PIKS for linear differential constraints, proving that for universal kernels (such as Gaussian or Matérn), the estimator asymptotically learns the target while satisfying physical constraints. We further derive finite-sample bounds under suitable source conditions. Our analysis is based on extending classical operator-theoretic analysis of kernel methods to physics-informed machine learning. Numerical experiments demonstrate that PIKS can be competitive with PINNs and traditional finite element methods.

Randomized features provide a scalable approximation to kernel machines, but their performance depends strongly on the choice of feature distribution. We propose a particle-based method that learns this distribution by optimizing kernel-target alignment while regularizing particles with a Riesz/Coulomb repulsive potential. The resulting Hamiltonian yields diverse, task-adaptive random features and admits a mean-field description through a McKean--Vlasov equation. We instantiate the method in linearized Transformer attention by learning positive random-feature maps in a first alignment phase, then freezing the kernel and training the remaining network parameters with cross-entropy. Experiments on synthetic classification and sentence-level benchmarks show that learned kernelized attention can improve accuracy, calibration, and robustness for several feature maps while preserving linear-attention inference complexity.

Visual anomaly detection requires adaptive representations and reliable decision boundaries, particularly when anomalous training samples are scarce and class distributions are highly imbalanced. Classical kernel-based methods yield principled geometric decision regions but typically operate on fixed features, while deep detectors learn task-specific representations but often fail to provide an explicit margin-aware kernel boundary. In this study, we propose DLM-SVDD, a deep large-margin novelty-detection framework that jointly learns convolutional features and an explicit kernel-based decision boundary. By drawing on the large-margin $\ell_p$-Support Vector Data Description ($\ell_p$-SVDD) approach, the proposed method performs explicit margin maximization and nonlinear slack penalization while adapting the representation to the target task. To train the proposed model, we present an optimization scheme that alternates between a Frank--Wolfe--based update of the convex dual boundary and a CNN update step operating on a smooth margin-violation loss induced by the recovered boundary. To improve scalability, we analyze the efficiency--accuracy trade-offs for different kernel approximation strategies, deriving practical propositions for large-scale anomaly detection. Extensive experiments on multiple standard benchmarks show consistent performance improvements over the baseline and strong overall performance compared with state-of-the-art methods while illustrating that the proposed joint representation--boundary learning scheme remains effective under severe imbalanced class distributions.

We show that, up to isotropic scaling, the Gaussian RBF reproducing kernel Hilbert space (RKHS) is asymptotically isometric to Euclidean space in the large bandwidth limit. This strongly suggests that kernel-based constructions reliant on metric properties of the RKHS will yield results for Gaussian RBF kernels that similarly approach those of linear kernels for large bandwidths. The asymptotic behavior of Gaussian CKA can be understood in this light. We further consider kernel PCA, showing that Gaussian RBF eigenvalues, eigenprojections, and principal components all converge to those of classical (linear) PCA as bandwidth $σ\rightarrow \infty$. For a given data representation, both the RKHS feature embeddings and the orthogonal PCA eigenframes of the two kernel types differ asymptotically by a geometric similarity transformation, up to a residual of size $O \left (\fracρσ \right )^2$, where $ρ$ is a measure of geometric eccentricity of the representation, equal to the ratio of maximum to median pairwise distance between data examples. Experiments over a diverse collection of data sets demonstrate that $ρ$ provides a simple and reliable predictor of dataset-specific convergence behavior in the top principal directions.

Random-feature methods reduce high-dimensional elliptic PDE collocation to linear coefficient problems, but full-dimensional trial spaces overlook lower-dimensional structure. We introduce the Hierarchical Analysis-of-Variance Random Feature Method (HA-RFM), which selects coordinate blocks using closed Sobol indices of the PDE residual, identifies oblique low-rank features from fitted-predictor gradients, and couples all retained features in one regularized least-squares solve. Under structural and stability hypotheses, we establish an $L^2$ error bound that links solution and residual truncation to finite-width approximation and regularized finite-sample fitting, and we derive guarantees for width and structure recovery. The resulting width is polynomial in the dimension at fixed interaction order, with dimension-independent higher-order contributions under uniform structural control. Residual screening achieves exact recovery of the prescribed three-pair support, while fitted-predictor gradients recover oblique directions through dimension $50$. In random-ridge tests, less than $1\%$ additional width reduces errors by factors of $14$-$39$ over coordinate blocks and $34$-$100$ over equal-width full-dimensional RFM. Semilinear computations extend HA-RFM through dimension $100$, while dense and distributed interactions delineate the coordinate families required for broader structure.

Kernel methods are powerful tools in machine learning but commonly used full-Gram kernels face three key limitations: (1) quadratic scaling with training set size; (2) the use of fixed, non-trainable kernels; and (3) the absence of an intrinsic formulation for multiclass classification. We present McQuack, a trainable quantum kernel method for multiclass problems that achieves linear scaling in the number of training samples. This is accomplished by replacing the full training-set Gram matrix with a trainable sample-to-(class-centroid) fidelity matrix. We evaluate the model in simulation and on 124 qubits of two IBM devices, across more than 150 datasets. In simulation, McQuack outperforms existing "pure" quantum baselines, while results from hardware inference -- obtained without training -- achieve performance similar to an RBF kernel. Finally, we study the trainability of the model and observe no evidence of barren plateaus in our experiments with up to 13 qubits, and highlight the importance of parameter initialization for successful optimization.

Automated algorithm selection in black-box optimization typically relies on supervised models that map landscape features to algorithm performance labels. Such models are costly to train, benchmark-dependent, and often fail to generalize to unseen problem classes. We study an unsupervised alternative: multi-kernel clustering over heterogeneous landscape representations, in which problem instances are grouped without using performance labels in the clustering stage, and the resulting clusters are mapped post hoc to solver recommendations through a strictly separated three-stage evaluation protocol. Drawing on two decades of advances in multiple kernel learning, we adopt a multi-kernel k-means formulation that jointly learns cluster assignments and kernel weights over four heterogeneous landscape views: ELA, DeepELA, DoE2Vec, and TransOptAS. On affine BBOB-derived selector tasks for Differential Evolution (DE) and Particle Swarm Optimization (PSO) at a fixed evaluation budget, we report mean plus or minus standard deviation selector profiles over 50 independent random seeds for stochastic configurations. Multi-kernel clustering obtains the strongest mean profile on the DE portfolio and remains competitive with, and nominally ahead of, the leading baselines on the more compressed PSO portfolio, where differences among the best methods are small relative to stochastic variation. In representative median-seed runs used for visualization, the learned kernel weights retain ELA and TransOptAS while assigning zero weight to DeepELA and DoE2Vec, providing a task-specific interpretation of which representations are retained by the multi-kernel model for selector-oriented grouping.

Improved Kernel Partial Least Squares (IKPLS) algorithms 1 and 2 are among the fastest PLS calibration algorithms. This article focuses on two shared steps, the computation of the $\mathbf{X}$ rotations, $\mathbf{R}$, and the $\mathbf{Y}$ loadings, $\mathbf{Q}$, and accelerates both. For $\mathbf{R}$, term-by-term accumulation is replaced by a direct evaluation strategy that requires the same number of multiplications but parallelizes better on modern hardware. For $\mathbf{Q}$, I identify - to the best of my knowledge, for the first time - equivalences showing that each $\mathbf{Y}$ loading is obtainable, up to explicitly derived constants, from quantities already computed earlier in the same iteration, and I exploit them in IKPLS to reduce the cost of each loading from $Θ\left(KM\right)$ to $Θ\left(M\right)$ operations whenever $M = 1$ or $2 \leq M < K$, with $K$ predictor variables (number of columns in $\mathbf{X}$) and $M$ response variables (number of columns in $\mathbf{Y}$). Both improvements provably yield exactly the same $\mathbf{W}$, $\mathbf{P}$, $\mathbf{Q}$, $\mathbf{R}$, and $\mathbf{T}$ as the original algorithms. Benchmarks with NumPy (CPU) and JAX (GPU) show speedups of up to two orders of magnitude for the isolated steps and of approximately $2\times$ (CPU) and $6\times$ (GPU) for entire fits. Both improvements are implemented in the free, open-source Python package \texttt{ikpls}.

Stein variational gradient descent (SVGD) transports interacting particles toward a target distribution through deterministic kernelized dynamics. Singular Riesz kernels are attractive because they can provide quantitative population-level convergence, but at the finite-particle level the corresponding Stein energy has infinite self-interaction. We study periodic Riesz SVGD with self-interaction removed and prove a many-particle, long-time sampling theorem. Throughout the range in which the singular Stein energy is locally integrable, under a uniform bound on the initial relative entropy per particle, the time-averaged empirical-measure law converges weakly to the point mass $δ_π$ at the target as the particle number and any diverging averaging horizon tend to infinity. We also show that the empirical-measure laws induced by invariant particle laws of finite relative entropy converge weakly to $δ_π$, without a uniform entropy bound. Below the logarithmic singularity threshold, we obtain an explicit algebraic finite-particle error bound. These results extend the joint-entropy approach for smooth-kernel SVGD to singular interactions.

Time series analysis plays a vital role across a wide range of scientific and engineering domains but poses substantial computational challenges. A major difficulty arises from the time reparameterization invariance of time series data, which complicates the extraction of meaningful temporal features. In this work, we address the problem of time series classification by exploring the application of quantum computation techniques. We propose a hybrid quantum-classical architecture that integrates recent advances in quantum neural networks with the mathematical framework of path signatures, mitigating the impact of time reparametrization invariance. The architecture employs feature layers that compute a signature kernel between pairs of input paths, consisting of a reference path and a target path for classification, using either classical or quantum variational linear solvers (VQLS). These feature layers are followed by a Quantum Convolutional Neural Network (QCNN) to perform downstream learning tasks. We evaluate several realizations of the proposed architecture, differing in QCNN configurations, on a binary classification task involving time series representations of handwritten digits. Our experiments demonstrate the potential advantages of implementing path signature kernel layers within quantum circuits and provide an analysis of the computational limitations associated with the VQLS component.

We study kernel-based operator learning in a two-stage sampling framework, where an offline kernel regression operator learns a discretized representation of the target operator from input-output pairs and an online kernel reconstruction operator recovers the output function from predicted observations. Our main theoretical contribution is an explicit budget allocation condition relating the number $N$ of training pairs, the number $n$ of input observations, and the output resolution $m$. The condition is derived from a coupled error analysis that interprets the surrogate as a reconstruction from approximate data. This yields a decomposition of the total error into reconstruction and learning contributions that can be analyzed independently. As a consequence, we obtain quantitative scaling laws describing how $N$, $n$, and $m$ must be coupled to guarantee convergence and to balance offline learning and online reconstruction errors. The resulting estimates extend previous analyses of kernel-based operator learning. We further introduce a physics-informed extension that incorporates knowledge of the underlying PDE at evaluation time. Rather than encoding constraints directly into the kernel, we augment the online reconstruction step by penalizing PDE residuals at collocation points. The method requires no retraining for new inputs. Numerical experiments illustrate the theoretical findings and demonstrate the effectiveness of the proposed physics-informed reconstruction strategy.

A learning-based physics-constrained neural kernel for sound field estimation is proposed. Sound field estimation aims to estimate the spatial distribution of an acoustic field from a discrete set of microphone measurements, which have a wide range of applications. Among existing sound field estimation methods, kernel-regression-based methods offer a flexible and principled framework for incorporating physical constraints and allow inference through linear operation. It is also possible to adapt the kernel function to the target acoustic environment by representing the directional weighting function as an implicit neural representation (INR) and optimizing hyperparameters using measurements. However, the kernel function is generally optimized for single snapshot measurements of the microphones, which can lead to strong overfitting and poor generalization. We propose a source-position-dependent INR for the directional weighting function, enabling the kernel function to capture common directional patterns and to generalize to unseen source positions in the target acoustic environment. Experimental results indicate that our proposed method outperforms the snapshot-based method by estimating a directional weighting function that matches the directivity of the target sound field.

Classifying heterogeneous omics data remains a fundamental challenge in computational biology, particularly in high-dimensional, small-sample settings where nonlinear interactions dominate and class imbalance further complicates reliable prediction of minority phenotypes. While traditional kernel methods rely on feature abundance, they fail to leverage the known interaction landscapes of biological systems. In this work, we propose a structured Gaussian process classification framework that integrates graph-encoded biological pathways directly into the kernel construction. By propagating information along known interaction networks and combining this with abundance-derived features, the resulting classifier captures both quantitative measurements and topological context. We benchmark our proposed methodology on three publicly available gut and fecal microbiome datasets. To address severe class imbalance, we evaluate complementary strategies, including data-level resampling, threshold calibration, and confusion-matrix-based adjustments, and report minority-class performance alongside accuracy. The hybrid approach yields a performance gain over unstructured baselines and matches the performance of established benchmarks for similar datasets. Furthermore, the probabilistic nature of the framework naturally provides calibrated predictive uncertainty, enabling robust differentiation between confident predictions and ambiguous samples.

Recursive Feature Machines (RFMs) are a class of kernel machines that utilize the Average Gradient Outer Product (AGOP) as a mechanism for feature learning. They have been shown to effectively replicate the learning dynamics and feature representations of Feedforward Neural Networks (FNNs) across various settings. However, despite comparable capacity for feature learning and the similarities in the features they acquire, RFMs exhibit significantly lower performance than neural networks in certain data-corrupted scenarios. In this work, we investigate these limitations in mathematical problems. As a solution, we introduce a remarkably effective transformation applied to the training labels which promotes learning in noisy, complexly represented, and class-imbalanced data. This simple yet powerful adjustment enables RFMs to close the performance gap with FNNs and, in some cases, even surpass them.

In general, an ensemble classifier is more accurate than a single classifier. In this study, we propose an ensemble classifier called the kernel Fisher discriminant analysis forest (KFDA Forest), which is a tree-based ensemble method that applies KFDA. To promote diversity, bootstrap is used, and variable sets are randomly divided into K subsets. KFDA is performed on each subset to increase classification accuracy. KFDA maximizes the distance between classes while minimizing the distance within classes. KFDA can also be applied to classification problems in a nonlinear data structure using the kernel trick because it can transform the input space into a kernel feature space, commonly named a rotation, rather than performing a dimensionality reduction. Because new feature axes and KFDA projections are parallel, decision trees are used as a base classifier. To compare the proposed method with existing ensemble methods, we apply these to real datasets from the UCI and KEEL repositories.

Empirical Bayes (EB) estimators can match the first-order asymptotic risk of maximum likelihood (ML) while behaving very differently at second order: recent excess mean squared error (XMSE) analysis shows that kernel-based EB estimation may be worse than ML when the kernel is poorly aligned with the true parameter. This paper turns that diagnostic into a design principle. We propose an XMSE-aware mixed estimator that interpolates between ML and EB shrinkage. Its fixed-weight XMSE is a scalar quadratic, yielding a closed-form oracle mixing weight that is no worse than both ML and the base EB estimator at the XMSE scale. A plug-in implementation based on finite-sample XMSE approximations is proved consistent, with a second-order oracle regret rate for an interior oracle weight. We further establish a transfer of the regret bound to the fixed-weight risk curve evaluated at the selected weight, a thresholded boundary rule, and extensions to compact kernel families and to finite and growing kernel dictionaries with high-probability oracle bounds. Finite impulse response simulations with SURE-tuned, hard-selection, and trace-corrected baselines, together with the public Silverbox and Cascaded Tanks benchmarks, show that the proposed estimator retains most of the benefit of regularization when it is helpful and retreats toward ML under kernel misspecification, with an identified finite-de analyzed on the benchmarks.

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 $66\times$. 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.

We develop a comprehensive theory for regularized M-estimation in reproducing kernel Hilbert spaces. Under mild conditions on the loss we establish existence and measurability of the estimator, covering a wide range of convex and non-convex losses, including bounded robust losses. We further prove sharp rates of convergence with an explicit bias-variance decomposition governed by a novel complexity measure. We show that the variance is independent of misspecification, while the bias depends on a source condition parameter known in the learning literature. For tensor product Sobolev spaces we obtain new rates that connect to spaces of functions with dominating mixed smoothness, substantially extending existing results and explaining why these estimators circumvent the curse of dimensionality. Our methodology, combining elements from both functional analysis and empirical process theory, allows for an asymptotic linearisation of the objective function that avoids both closed-form solutions and global Lipschitz assumptions, and may be of independent interest. The estimators are implemented in C++ and theory is supported by numerical experiments.