Principal Component Analysis

The quadratic $N\times N$ attention score matrix remains a central obstacle to extending Transformers to longer input lengths. Existing efficient attention methods usually reduce this bottleneck by either imposing sparsity, so that each query attends to only a small subset of keys, or by using low-rank/kernel sketches, so that global interactions are compressed into a lower-dimensional representation. We propose \emph{ELSAA}, an efficient low-rank and sparse approximation of attention. Importantly, ELSAA does \emph{not} decompose the learned projection or output matrices of the Transformer into sparse and low-rank factors. Instead, after dense projections produce $Q,K,V$, ELSAA approximates the induced attention score operator itself: a sparse branch captures selected high-similarity interactions, while a low-rank branch summarizes diffuse global interactions. Since the two branches can be normalized over supports with very different denominator mass, ELSAA introduces a denominator-aware fusion term that scales the sparse branch according to its estimated attention mass relative to the low-rank branch. This gives a practical framework for constructing low-rank and sparse attention outputs without materializing the full quadratic score matrix, aiming to enable longer-context training while preserving both sharp token-level interactions and broad contextual mixing.

Non--negative matrix factorization (NMF) has become an established dimensionality reduction technique for extracting latent structures from non--negative data and has found widespread applications in fields such as bioinformatics, text mining, image analysis, and recommender systems. As the popularity of NMF has increased, numerous \textit{R} packages implementing different optimization strategies and computational frameworks have been developed. Despite their widespread availability, comprehensive evaluations of these implementations under real--world data conditions remain limited. Consequently, researchers often lack objective guidance when selecting an appropriate package for practical applications. This study introduces a new \textit{R} package for NMF and offers asystematic performance comparison with two widely available \textit{R} packages for NMF analysis. Rather than relying on simulated datasets, the evaluation is conducted using real--world data to better reflect the complexity, heterogeneity, and noise characteristics encountered in practical analytical settings. The packages are assessed using a consistent experimental framework, with emphasis on computational efficiency, convergence behavior, reconstruction accuracy, memory utilization, and the stability of the resulting matrix factorization.

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.

Gaussian process (GP) modeling is widely used in computational science and engineering. However, fitting a GP to high-dimensional inputs remains challenging due to the curse of dimensionality. While various methods have been proposed to reduce input dimensionality, they typically follow a two-stage approach, performing dimension reduction and GP fitting separately. We introduce a Bayesian framework that seamlessly integrates dimensionality reduction with GP modeling and inference. Our approach, built on a hierarchical Bayesian model with priors on the Stiefel manifold, enforces orthonormality on the projection matrix and enables posterior inference via Hamiltonian Monte Carlo with geodesic flow. Additionally, we extend this framework by incorporating Deep Gaussian Processes (DGP) with built-in dimension reduction, providing a more flexible and powerful tool for complex datasets. Through extensive numerical studies, we demonstrate that while the proposed Bayesian method incurs higher computational costs, it improves predictive performance and uncertainty quantification, providing a principled and robust alternative to existing methods.

Fine-tuned foundation-model detectors dominate face-forgery benchmarks, yet they stay blind to generator families absent from training. We present GLID, a detector that repairs this blind spot with geometry instead of data. GLID treats the patch tokens of a single image as a sample from a manifold and estimates their local intrinsic dimension (LID) at several depths of a frozen vision transformer. This 12-dimensional, training-free signal enters a fine-tuned detector through a confidence gate whose strength is calibrated purely in-distribution. On a 16-axis cross-generator benchmark, GLID reaches 0.805 mean AUC, first among retrained state-of-the-art baselines and never significantly behind the strongest of them on any axis. It lifts the generation axes by +0.084 AUC while moving reenactment by only -0.005. Two empirical laws explain the design. First, forged faces bend the token manifold at family-specific depths: GAN artifacts peak at the last layer, diffusion artifacts peak mid-network, and the pattern survives four backbones, three dimension estimators, and non-face imagery. Second, fine-tuning absorbs auxiliary gains exactly where training data covers: injecting 1% target-family images erases a +0.100 gain, so geometric signals matter precisely where data is unavailable. The deterministic signal also cuts the cross-seed spread of accuracy 5.5x. Code, preregistered analysis gates, and per-image scores accompany the paper.

Methods for discovering rare failures in autonomous systems have so far been demonstrated almost exclusively in simulations with simple, academic driving stacks, leaving open whether they generalize to the more robust planners used in commercial systems. We address this gap by applying two rare-event discovery algorithms to a commercial autonomous trucking stack. Adaptive stress testing (AST) uses reinforcement learning to search for the most likely noise trajectories leading to a simulated collision, while diffusion-based failure sampling (DiFS) trains a denoising diffusion model to sample a diverse set of failures. We show that both algorithms find simulated collisions during merge and cut-in maneuvers where traditional Monte Carlo simulation does not. To make these failures actionable, we introduce a statistical analysis based on principal component analysis (PCA) that classifies failures into common modes and identifies the timesteps that most influence the outcome. We cluster the principal components and invert the PCA transform to recover generalized noise trajectories, and show that these trajectories reproduce failures in identical and similar scenarios. This provides a path from failure discovery to systematic diagnosis of perception-level flaws.

Principal component regression (PCR) regularizes high-dimensional prediction by choosing a spectral cutoff, but rank selection cannot correct systematic inflation of the retained empirical eigenvalues. We study clean Gaussian random designs in which the aggregate covariance tail creates a nearly scalar sample-space floor comparable to the predictive head scale. De-floored principal component regression (dPCR) retains the cutoff and subtracts an estimated floor from the retained denominators. We prove an ordinary-PCR prediction-risk lower bound uniform over all ranks and a high-probability dPCR upper bound. When the floor is sharp and inexpensive to remove in population prediction risk, the conditional risk of dPCR is asymptotically negligible relative to that of the best ordinary PCR rank. An exact risk decomposition explains the separation: denominator inflation is governed by first spectral mass, whereas the clean prediction cost of correction is governed by squared spectral mass. A same-sample trimmed-mean floor estimate attains the oracle dPCR upper-bound rate at a prespecified rank, and the separation persists under approximate predictive alignment when the tail prediction-energy fraction vanishes. Separate pointwise fixed-aspect formulas show that the risk-optimal positive scalar correction improves rank-$1$ PCR, whereas mean-floor subtraction is generally not optimal for a broad Marchenko--Pastur bulk.

Non-rigid point cloud registration is central to soft-tissue shape analysis, but large deformations, noise, and outliers make correspondence estimation challenging. Most learning-based methods rely on local objectives such as Chamfer distance, which encourage point-wise proximity but do not constrain the global plausibility of the predicted deformation field. We address this limitation with DINE, a maximum a posteriori framework that augments distance-based registration with a learned statistical prior over displacement vector fields. DINE is applied to two registration backbones, Robust-DefReg and DefTransNet, using a two-stage strategy: a first-stage model is trained with Chamfer distance, its predicted deformation fields are used to estimate a prior, and the model is then refined with a combined distance and negative log-prior objective. We compare a full-field PCA Gaussian prior with a per-vector normalizing-flow prior. Experiments on DeformedTissue and SynBench show lower mean Chamfer distance under deformation and corruption. On DeformedTissue, DINE-PCA reduces Chamfer distance by approximately 27--69% relative to the corresponding Stage-1 backbone across deformation levels, and improves robustness by up to 66% for outliers and 83% for Gaussian noise. On SynBench, improvements are modest at the smallest deformation levels and reach approximately 59--79% from moderate to severe deformation. These results suggest that global deformation plausibility is an important constraint for reliable soft-tissue point cloud registration. (The code will be published soon.)

Equilibrium analysis of urban mobility systems is formulated in a high-dimensional indicator space, whilst data availability varies sharply across cities and disruption contexts. This paper gives a formal treatment of that mismatch. It presents a dynamic multi-layer equilibrium attractor for disrupted urban mobility, in which a fast performance layer relaxes towards an indicator-dependent target, a slow strategic layer supplies a joint traffic, modal and learning fixed point, and antifragility is classified through a statistical decision rule on the post-to-baseline performance ratio. It then characterises when a lower-dimensional indicator projection is faithful to this equilibrium structure, establishing four results: conditions for exact and approximate projectability of the attractor with an explicit error bound; preservation of the coupled two-layer fixed point up to a contraction boundary; the retained Fisher information and decision power of any indicator support under a measurement model on observable urban indicators; and a one-sided restoration-time bias, whereby reduced monitoring can only understate recovery duration. A simulation study on three stylised pilot-city configurations verifies each result, and shows that two observable channels suffice for the candidate classification target where the indicator catalogue permits. The framework gives city authorities a principled basis for deciding which indicators must be maintained.

We study sparse random geometric graphs generated by connecting pairs of high-dimensional vectors whose inner product exceeds a threshold. The latent vectors are sampled either uniformly from the sphere or from a standard Gaussian distribution. Although every edge appears with probability $p$, the edges are dependent through their shared latent vectors. For the spherical model, at the connectivity scale $np=Ω(\log n)$, we prove $\|A-\mathbb E A\|=O\left(\sqrt{np\log n}+npτ\right)$, with high probability, where $τ$ is the cap threshold. This sharpens the spectral norm bound of Liu, Mohanty, Schramm, and Yang (2023) under weaker assumptions. An analogous result holds for the Gaussian model after removing the fluctuations of the vector norms, yielding improved global synchronization guarantees for the homogeneous Kuramoto model. We then recover the latent geometry from the leading eigenspace. When $np\gg\log n$, both the latent vector and relative Gram matrix errors vanish provided $d\ll np\log(1/p)/\log n$. The required lower dimension is only $d\gg\log(1/p)$ for the spherical model and $d\gg\log^2(1/p)\log n$ for the Gaussian model, improving the recovery guarantees of Li and Schramm (2023). Finally, we prove the first exact recovery result for the Gaussian mixture block model of Li and Schramm (2023). At the optimal connectivity scale $np=Ω(\log n)$, a polynomial-time semidefinite program exactly recovers all labels in a moderate-separation regime, whereas larger separation makes exact recovery impossible because isolated vertices appear with high probability. Our proofs combine orthogonal polynomial expansions, decoupling, and matrix concentration, avoiding the trace-moment arguments used in previous work.

Active surveillance (AS) is the preferred strategy for favorable-risk prostate cancer, yet current protocols rely on scheduled repeat biopsies, most of which reveal no progression and are unnecessary. Existing risk-stratification tools operate on single time-point imaging or depend on explicit lesion segmentation, limiting their ability to capture longitudinal change and excluding patients without an MRI-visible lesion. In this study, we propose an end-to-end temporal and multimodal model for predicting pathological progression during AS without lesion segmentation. We encode each serial scan with a pretrained 3D MRI foundation model and introduce a temporal attention gate that recalibrates the multi-visit features to amplify focal imaging changes associated with progression. The gated imaging representation is then fused with clinical variables in a multimodal framework to estimate the probability of progression. Validated on a longitudinal AS cohort, our approach consistently outperforms competing baselines and performs comparably to the radiologist assessment representing current clinical practice. It maintains high negative predictive value while achieving higher positive predictive value, demonstrating its potential to safely reduce unnecessary biopsies during surveillance.

When a real-world scene is captured by a smartphone camera and viewed on its screen, the displayed image often differs noticeably from the original scene in color, brightness, and contrast. This gap persists despite substantial advances in both modern cameras and displays. A key reason is that most pipelines factor the high-dimensional capture-to-display process into two separately calibrated camera and display stages, and then connect them through low-dimensional color transforms, leading to information bottlenecks and inevitable error accumulation. To address this systemic challenge, we propose Color Pass-Through, an end-to-end learned framework that operates directly on captured images. Our key insight is to treat the camera and display as a coupled system rather than calibrating them in isolation. Coupling the camera and display yields two practical advantages: (1) it brings the entire real-world scenes to the display via end-to-end optimization, and (2) it allows efficient one-step calibration for each distinct observer via complete capture-to-display path. We validate Color Pass-Through using both digital and human observers. Compared with representative baselines, our method achieves an average gain of +2.0 points on a 5-point user study and more than 2x improvement on quantitative metrics, demonstrating improved reproduction of the perceived color of the original scene.

Ground segmentation is a fundamental prerequisite for autonomous navigation, environmental perception, and object detection in ground mobile platforms. To address the under-segmentation of ground points caused by sparse long-range point clouds, ground undulations, and interference from non-ground structures in complex road scenarios, this paper proposes a two-stage ground segmentation method based on the Adaptive Concentric Zone Model. First, an Adaptive Concentric Zone Model is constructed to dynamically determine the number of sectors in each ring, thereby forming local zones with more balanced point distributions. Based on this model, a two-stage ground segmentation method is developed. In the coarse segmentation stage, a lowest-height seed constraint and height-decay weighting are introduced to establish a weighted principal component analysis plane fitting model, from which ground candidate points are extracted. In the fine segmentation stage, a reflectance intensity consistency constraint is employed to distinguish high-confidence ground points from uncertain points, and the uncertain points are further refined based on the local height stability of high-confidence neighborhoods. Experimental results show that the proposed method achieves Precision, Recall, and F1-score values of 99.12%, 96.24%, and 97.66% on the SemanticKITTI dataset, and 98.72%, 100.00%, and 99.36%, respectively, on a self-collected point cloud acquired using a RUBY-PLUS. The results demonstrate that the proposed method can effectively adapt to the range-dependent distribution characteristics of LiDAR point clouds, which are dense at near ranges and sparse at far ranges. It reduces the misclassification of non-ground points while maintaining ground point recall, thereby effectively improving the stability of ground segmentation.

Grokking is a phenomenon in which neural networks initially memorize training data and only later exhibit strong generalization after prolonged optimization. Despite extensive recent study, the factors influencing the emergence and timing of grokking remain incompletely understood. We investigate the relationship between representation geometry and delayed generalization. We find that dimensionality collapse consistently precedes the onset of grokking in all evaluated settings. Motivated by these observations, we introduce Geometric Dimensionality Regularization (GeomDR), a simple spectral regularizer that modifies the effective dimensionality of hidden representations during training. Across modular addition, modular division, and permutation composition tasks, GeomDR consistently alters grokking dynamics and can substantially accelerate the onset of generalization depending on the intervention schedule and target dimensionality. In several settings, grokking is accelerated by up to 52 times relative to standard AdamW training. Similar qualitative effects are observed in both multilayer perceptrons and transformers. Together, these results suggest that representation geometry can serve as an effective control signal for grokking and provide evidence that geometric interventions offer a practical approach for studying and influencing delayed generalization in neural networks.

We study the bandit-feedback version of online principal component analysis (Bandit PCA): in each round $t = 1,\dots,T$, the adversary selects a $d \times d$ symmetric gain matrix $G_t$ with spectrum in $[0,1]$ and rank at most $r$; the learner simultaneously selects a unit vector $w_t \in S^{d-1}$ and receives the reward $w_t^\top G_t w_t$. The learner receives no other feedback, and aims to minimize the regret against the best unit vector in hindsight. This problem was introduced by Kotlowski and Neu (2019), who gave an algorithm with regret $O(d\sqrt{rT \log T})$ and showed the lower bound of $Ω(r\sqrt{T/\log T})$. We improve upon both of these bounds and essentially bridge the gap between them, establishing the minimax regret of order $r\sqrt{dT}$ up to polylogarithmic factors in $d$ and $T$. The upper bound is attained by a novel algorithm, which combines online mirror descent on the spectrahedron of (real) density matrices with a multiscale exploration scheme in which the eigenspaces with different spectral magnitudes are updated at different rates. For the lower bound, we construct an adaptive adversary that refines a hidden large-reward subspace based on the learner's actions, in such a way that low regret is impossible without estimating the subspace; as a result, lower-bounding the regret reduces to studying the arising subspace estimation problem. Finally, we discuss connections of Bandit PCA with adaptive-measurement quantum tomography.

This book is about the mathematical foundations of data science. 1. Introduction 2. Curses, Blessings, and Surprises in High Dimensions 3. Singular Value Decomposition and Principal Component Analysis 4. Linear Regression and Regularization 5. Graphs, Networks, and Clustering 6. Nonlinear Dimension Reduction and Diffusion Maps 7. Linear Dimension Reduction via Random Projections 8. Optimization for Data Science 9. Classification 10. A Mathematical Introduction to Deep Learning 11. Large Sample Limit of Graph Laplacians 12. Community 13. Concentration of Measure and Gaussian Analysis 14. Matrix Concentration Inequalities 15. Compressive Sensing and Sparsity 16. Low-Rank Matrix Recovery

Terminal embeddings have emerged as a powerful tool for dimension reduction. Given a set of points $P\subset \mathbb{R}^d$, a terminal embedding is a mapping $f:\mathbb{R}^d\rightarrow \mathbb{R}^t$ that preserves the pairwise distance between any pair of points $p\in P$ and $q\in \mathbb{R}^d$ up to small distortion under this mapping. Terminal embeddings have been particularly fruitful for constructing $k$-means and $k$-median coresets, where the objective is to find a typically weighted subset $Ω$ of $P$ such that for any candidate solution, the cost of the clustering objective on $Ω$ approximates the cost of the clustering objective on $P$ up to small distortion. Unfortunately, these techniques have not been extended to more complicated structures such as clustering time-series data under common straight-line interpolation between measurements. The main issue is that terminal embeddings, arguably the central technique in this line of research, cannot be linear and are thus not immediately suitable to preserve linear structures. In this work, we develop a generalization of terminal embeddings to affine line-segments that overcomes this issue. We showcase their applicability by using our lines-preserving terminal embeddings to obtain the first dimension-free coresets for clustering time-series under the Fréchet distance. The underlying dimension reduction uses Johnson-Lindenstrauss (JL) embeddings, and our experiments indicate that terminal embeddings perform similarly to JL and favorably against PCA for synthetic and real-world time-series, while only terminal embeddings extend pairwise distance preservation to the full ambient space.

The impact of a given training point on a statistical model is classically measured through its leave-one-out influence, which quantifies the effect of its removal from the training set on the model accuracy. While the statistics of leave-one-out influences are well understood in the low-dimensional, large sample limit $n\to \infty, d=O(1)$, they become more intricate in high dimensions, as the influence of a given sample develops non-trivial dependencies on all other training samples. For convex M-estimation under Gaussian design, in the high-dimensional limit $n\asymp d$, we show that the distribution of the influences across the training set converges to a limiting measure which we sharply characterize. Building on these results, we provide evidence that influential samples tend to lie close to the decision boundary, thereby making contact with a standard data selection heuristic in active learning.

Spectral embedding methods are widely used for dimensionality reduction and clustering of high-dimensional datasets with intrinsic low-dimensional structures. Although many datasets of practical interest exhibit invariance under symmetries such as rotations, standard spectral embedding methods do not account for this, treating symmetry-related data points as unrelated. Our approach to this problem is to incorporate the symmetries directly into the affinity kernels used for spectral embedding. We analyze the case of a Riemannian data manifold $M$ with symmetries given by a compact Lie group~$G$ and prove that, under suitable conditions, graph Laplacians constructed from three types of invariant kernels converge pointwise to explicit second-order differential operators on the quotient space $M/G$. Our analysis implies improved convergence rates, as the effective dimension drops according to the dimension of the group. We validate our approach on datasets with $\mathrm{SO}(2)$ or $\mathrm{SO}(3)$ symmetry, and show that $G$-invariant spectral embedding recovers the intrinsic geometry of the data, in contrast to standard spectral embedding, which fails to do so even in the limit of infinite data.

While UMAP is widely used for exploring high-dimensional data, typical workflows focus on its lower-dimensional embedding, largely overlooking the rich k-nearest-neighbor (kNN) graph that UMAP constructs internally. This graph encodes the data manifold in its original high-dimensional space, before the distortion that UMAP's 2D projection introduces. We demonstrate the untapped potential of this internal representation, showing how standard graph algorithms applied to this graph enhance data sensemaking: (1) PageRank identifies representative data points, (2) k-core decomposition reveals dense core regions versus sparse periphery, and (3) clustering coefficient detects tight-knit neighborhoods with highly-similar data points. Through quantitative and qualitative evaluation on MNIST and Fashion MNIST, we show that these graph-based analyses are not only practical but also competitive with or complementary to purpose-built methods (e.g., k-medoids for exemplar selection, HDBSCAN for density-based clustering).

Suppose we observe two sets of $n$ Gaussian vectors in $\mathbb{R}^d$, with the promise that, after applying a permutation of $[n]$ and a rotation of $\mathbb{R}^d$, the two sets are $ρ$-correlated. The Procrustes matching problem asks us to recover the unknown permutation of $[n]$ that aligns the two sets. The problem is well-studied in the low-dimensional regime $d=O(\log n)$, but the high-dimensional regime $d\gg \log n$ has remained largely uncharted: prior matching guarantees require nearly perfect correlation $ρ=1-o(1)$, even for information-theoretic recovery. Our main result is a polynomial-time algorithm for exact recovery at constant correlation. The algorithm works by computing and comparing weighted counts of a specially chosen family of ``wide'' trees. So long as $d\ge \mathrm{polylog}(n)$, the algorithm succeeds with high probability for any $ρ^2>\sqrtα$, where $α\approx 0.338$ is Otter's tree-counting constant. We complement this algorithmic result with an improved information-theoretic guarantee, showing that exact recovery is possible when $ρ^2 \gtrsim \max\{\log n/d,\sqrt{\log n/n}\}$. We also carry out a low-degree advantage calculation, which suggests that the condition $ρ^2 > \sqrtα$ is necessary for any tree-counting algorithm.

The inverse design of physical systems governed by partial differential equations is computationally demanding due to the high dimensionality and non-convexity of design spaces. Generative models for inverse design often lack robustness and transferability, whereas evolutionary strategies are robust but struggle in high-dimensional spaces. This paper introduces a Neural Operator-enabled Topology-informed Evolutionary Strategy (NOTES) that integrates dimensionality reduction, representation learning, and evolutionary optimization for efficient and transferable inverse design. NOTES couples a DeepONet-based neural operator with the Covariance Matrix Adaptation Evolution Strategy (CMA-ES) to perform global optimization in a compact latent space that encodes topology-aware priors while discovering high-performance designs for unseen operating conditions. Applied to nanophotonic beam-deflector inverse design governed by Maxwell's equations, NOTES reduces the design dimensionality from 256 to 25 and consistently achieves over 95 percent efficiency, outperforming CMA-ES, topology optimization, and other baselines. Applied to structural optimization, NOTES discovers designs that achieve compliance down to 246. By decoupling topology learning of a DeepONet from the governing physics in a PDE solver, NOTES provides a flexible and transferable framework for the inverse design of physical systems.

We introduce Intrinsic Green's Learning (IGL), a framework that models a target function on a manifold as the solution to a linear PDE whose source term is learned from data. Rather than approximating the target directly, IGL learns a source and integrates it against a Green's kernel. An encoder discovers a low-dimensional coordinate chart on the manifold where both the source and the kernel decompose as low-rank tensors, collapsing a high-dimensional integral into independent one-dimensional integrals with cost linear in the intrinsic dimension. A two-stage algorithm separates coordinate discovery from source fitting, a near-convex linear solve, preventing the dimensional collapse of joint training. Learnable gates on each coordinate automatically discover the intrinsic dimension of the manifold. We validate IGL on synthetic manifolds and on MNIST, where it simultaneously achieves near-optimal classification and automatic recovery of the intrinsic dimension.

Recent years have witnessed the emergence of multivariate modeling using time series foundation models (TSFMs), which achieve advanced zero-shot generalization. Modern multivariate TSFMs are predominantly pretrained on multivariate synthetic data, which is easier to scale but may fail to capture the complex temporal dynamics and cross-variable relationships present in real-world time series. This raises a key question: Whether and to what extent the leading TSFMs trained with the real-world corpus perform better than those trained with synthetic data? To answer this, we establish the RMISC corpus, a considerably large-scale, high-quality, openly accessible, real-world, and multivariate time series archive that contains around 200 datasets and 142 billion time points across diverse domains. Furthermore, we pretrain four advanced TSFMs on univariate, synthetic multivariate, and real-world multivariate data and evaluate their zero-shot generalization capabilities on standard in-distribution and out-of-distribution benchmarks. Experimental results show that incorporating real-world multivariate data predominantly improves the generalization performance for both univariate and multivariate TSFMs. These results provide a deeper understanding of how real-world multivariate data contributes to the development of stronger TSFMs.

We introduce a physics-informed framework for learning finite-dimensional embeddings of solution families of partial differential equations. The method uses a multihead Physics-Informed Neural Network in which a shared body learns a latent manifold representing the solution space, while linear heads reconstruct individual solutions associated with different initial conditions. A head-orthogonalization penalty removes degeneracies in the latent representation and stabilizes the principal-component spectrum across training realizations. Because the initial condition is built into the network output by construction, these principal components measure the additional variability the network learns on top of the initial profile, not the full solution itself. We apply the method to the one-dimensional viscous Burgers equation, with the heat and wave equations as robustness checks. For a latent dimension $n_b=20$, the learned manifolds exhibit pronounced effective dimensional reduction: for Burgers dynamics, only $2$-$4$ principal components capture about $95\%$ of the latent-space variance, while $4$-$7$ capture about $99\%$, depending on the initial-condition family; the same qualitative compression holds for the heat and wave equations. We also split the wavenumber axis into bands (``Fourier shells'') and measure how much each band contributes to every principal component. The resulting frequency profile is invariant under the change-of-basis freedom that the orthogonalization penalty leaves in the latent space, and is therefore reproducible across independent training runs. More broadly, this establishes the learned spectral profiles and principal components as robust observables of solution-manifold geometry.

This study harnesses topological analysis in an attempt to reveal structure in the dynamics of a crowd. Topology and in particular persistent homology characterizes relational structures in data through the number of connected components and holes, that is, a loop of pairwise connection with no connections across it. We apply this universal data analysis method to a simulated time series of individual pedestrian positions of a crowd moving through a wide corridor -- either uni- or bidirectional. We consider two pedestrians to be connected, when they are sufficiently close. This approach leads to two matrices containing the persistence signatures for the whole time series, so-called CROCKERs. Despite the high level of data abstraction, the CROCKERs' first two principal components on time-delayed positional data show a clear separation of the different parameter configurations. This holds up to symmetry. Our results support our claim that persistent homology is a useful tool to characterize crowd dynamics without introducing any prior assumptions about the detectable spatio-temporal patterns.

We aim to identify scattering network architectures that maximize the separation capacity on data with low intrinsic dimension. The networks we consider employ a fixed monomial nonlinearity and no pooling, so that the only design variable is the frame generated by the network filters. For data modeled as rectifiable sets, we first characterize and bound the separation capacity of general feature extractors in terms of the geometry of the dataset. We then particularize to scattering networks and obtain two design criteria: (i) the filters should meet the data on sufficiently many frequencies, and (ii) the matrices coupling the frame to the geometry of the data should be well-conditioned.

Principal Component Analysis or PCA-like properties (orthogonality, variance ranking) are seldom realized in deep autoencoder architectures. In this work, we present ODIN (Orthogonal Dendritic Intrinsic Network), a novel autoencoder architecture that recovers PCA-like latent structure in a fully non-linear regime. By incorporating a set of geometric constraints directly into the training objective, ODIN encourages latent dimensions to be mutually orthogonal and ordered by explained variance, mirroring the interpretable decomposition of PCA while retaining the expressive power of deep networks. We provide theoretical grounding for these constraints and demonstrate their compatibility with standard encoder-decoder frameworks. We also establish empirical results for both synthetic and real world datasets, establishing a principled path toward interpretable, structured feature learning and dimensionality reduction.

A core task in quantum anomaly detection is to compute an anomaly score that quantifies how strongly a test quantum state deviates from a given quantum dataset assumed to be normal. Classically, principal component analysis (PCA) for centered data computes the anomaly score by evaluating the test sample relative to the subspace spanned by the selected leading eigenvectors. However, for quantum data that lack a standard centering, explicitly recovering principal eigenvectors, constructing full Gram matrices, or loading quantum-random-access-memory-style data can be more costly than estimating the anomaly score itself. To avoid these costs, we propose Quantum Spectral Anomaly Detection (QSPADE), which computes PCA-like anomaly scores directly from the spectrum of the average state of the normal dataset. By replacing hard PCA rank selection with a smooth, temperature-controlled spectral threshold, QSPADE makes near-threshold spectral components contribute partially to the anomaly score. This makes the score vary continuously rather than jump when a borderline component is included or excluded, and makes it less sensitive to noise or arbitrary hard cutoffs near the threshold. In the zero-temperature limit, QSPADE recovers the hard-projector PCA score. The proposed measurement-based quantum detector can be calibrated with a sample complexity independent of the data dimension. Numerical simulations show that QSPADE behaves like kernel-PCA on encoded classical data and detects changes across a transverse-field Ising transition without predefined order parameters. Consequently, QSPADE gives an efficient framework for both quantum-kernel anomaly detection on encoded classical data and the monitoring of quantum-native systems where diagnostic observables are unknown.

We present msPCA: an open-source R package for sparse principal component analysis with multiple components. It implements an alternating maximization algorithm to generate a set of sparse loading vectors that collectively explain a large fraction of the variance in a dataset, while remaining non-redundant. The algorithm supports two definitions of non-redundancy: either orthogonality of the loading vectors or zero pairwise correlation between principal components (PCs). In the reported benchmarks, msPCA solves sparse PCA problems with thousands of features, achieving competitive runtimes while producing sparse components with controlled feasibility violations and a high fraction of variance explained.

Understanding the physics of many-body complex dynamical systems may be a non-trivial task. High-dimensional analysis approaches are often deemed necessary to prevent losing important information. Typically, these use order parameters or descriptors capturing information related to, e.g., relative positions, symmetries, etc., of the units in the studied system. However, in many cases, gaining information related to the relative positions of the constitutive units (or their velocities) alone may be insufficient, and to reach a more complete physical knowledge, one should ideally learn and correlate with each other both structure and dynamics. Here we demonstrate how to achieve such a goal efficiently by building and navigating high-dimensional Time-Derivatives (TiDe) spaces. A TiDe space can be generated for virtually any type of system/phenomenon from the time-series data collected along its observation over time. Each TiDe's dimension corresponds to a growing-order time-derivative of the extracted data, thus containing information related to different physical phenomena/events, which can be easily extracted via unsupervised approaches. We demonstrate how, by definition, TiDes can be directly analyzed without a need for prior dimensionality reduction, providing results that are intrinsically intuitive to interpret. We show the potential of the method by analyzing two prototypical example datasets extracted from molecular dynamics simulations or experimental tracking of different types of complex dynamical systems. Our results demonstrate how efficiently one can navigate and learn in information-rich TiDe spaces, which provide a robust general framework for data analysis and for studying complex dynamical systems from the data collected along their observation over time.

We revisit random projections for reducing the dimension of high-dimensional polygonal curves. Drawing from the toolbox of randomized linear algebra, we give a considerably simplified proof of the known $O(\varepsilon^{-2}\log(nm))$ bound on the target dimension of a random projection that preserves the continuous Fréchet distance of polygonal curves up to a factor $(1\pm\varepsilon)$. Our proof is based on the concept of sparse oblivious subspace embeddings. While previous techniques were limited to the case of the Fréchet distance, our techniques are fairly general and extend to all possible distance measures that involve the maximum, a sum or an integral over Euclidean distances between pairs of points on both input curves. We define a generalized dissimilarity measure for curves that includes several popular measures such as Fréchet, $q$-DTW, Hausdorff, etc. as special cases and show that the same dimension reduction technique works for this generalized dissimilarity measure. Finally, we apply the same framework for dimension reduction to piecewise linear surfaces, after extending the distance measure suitably to such surfaces.

In high-dimensional Ising model estimation, target sample sizes are often limited, and effectively using auxiliary binary datasets of unknown relevance remains challenging. To address this, we propose Trans-Ising, a transfer learning method that combines a loss-based source screening rule with a two-stage estimation procedure. The method first identifies informative auxiliary sources using held-out target pseudolikelihood to prevent negative transfer. It then computes an initial estimator via pooled nodewise $\ell_1$-regularized logistic regression, followed by a target-only correction step using a folded-concave penalty. Theoretically, we establish fixed-node $\ell_2$ and $\ell_1$ error bounds, exact graph selection consistency, and the conditional consistency of the screening rule. Through extensive simulations and real-data analyses, we demonstrate that Trans-Ising achieves lower estimation errors than both target-only estimation and naive data pooling.

The success of deep learning models in classification and regression is widely attributed to the low-dimensional structure that real-world data tend to exhibit, despite their high-dimensional representation. This work attempts to provide a mathematical framework for binary classification on low-dimensional data, building on Cover's (1965) function-counting theory. With our framework, we aim to address the question of how the low-dimensional structure of the data affects the classification capabilities of learning models. Cover's theory relies on a general position assumption that blinds it to the underlying data structure. We refine this assumption to account for the low-dimensionality of the data and derive dichotomy counts that reflect the data structure. We further extend Cover's separation capacity and problem of generalization to the low-dimensional setting, enabling the impact of the underlying data structure on both to be analyzed.

Feature rankings are widely used in supervised feature selection because they are simple, scalable and easy to interpret. Variables are first ranked by a relevance score, and a subset is then obtained by retaining the top-ranked variables. Although the first stage has been extensively studied, the second is often governed by an arbitrary cardinality, an empirical threshold or cross-validation, without a direct interpretation. This raises a basic question: given a feature ranking, when is there enough accumulated class-separation evidence to stop selecting features? This paper develops a distributional framework for transforming supervised feature rankings into class-independent subsets through an explicit risk-calibrated stopping rule. For each variable and each pair of classes, marginal separation is measured by the Bhattacharyya coefficient between the corresponding class-conditional distributions. The proposed method selects a single global subset shared by all classes by retaining the shortest prefix of a ranking whose residual product overlap falls below a prescribed threshold for every relevant class contrast. We derive binary and multiclass Bayes-risk bounds for the labelled product marginal problem, and obtain prior-dependent and prior-free calibrations of the residual-overlap threshold from a target all-pairs risk level. An empirical comparison on high-dimensional genomic datasets illustrates that the rule can reduce tens of thousands of variables to a few dozen while maintaining predictive performance statistically comparable to the all-features baseline. As the stopping rule only requires one-dimensional marginal overlap estimates and scans a precomputed ranking, it is well suited to very high-dimensional settings where exhaustive subset search is infeasible and interpretable truncation of feature rankings is essential.

Artificial neural networks (NNs) and machine learning (ML) algorithms are poorly understood from a theoretical perspective, which makes it difficult to fully realize their potential and overcome their weaknesses. For instance, ML algorithms train NN weights by moving them along a low-dimensional subspace of their allowed values, but this implicitly low-dimensional learning structure is not properly exploited to improve training because its nature is not well understood. Moreover, trained NNs are easily confused by pervasive adversarial attacks whose theoretical underpinnings are still unclear. This thesis aims to improve our theoretical understanding of NNs and ML, with a particular focus on adversarial attacks and implicitly low-dimensional learning. For this purpose, we use mathematical tools from statistical mechanics to study different types of NNs and ways in which they can fit the data. In particular, we study two classes of models that fit the data with various degrees of learning and memorization: dense associative memory (DAM) and restricted Boltzmann machines (RBM). In the process, we investigate connections between different versions of these models that are useful to make analytical investigations more efficient.

In the verification of in-vehicle cameras, simulation technology using virtual spaces has advanced, enabling pre-evaluation of false detections and missed detections in various scenarios. However, discrepancies in the scale of the object being verified between the virtual and real environments can lead to a decrease in camera recognition performance. For traffic signs installed at high altitudes, distance measurement using LiDAR or stereo cameras is difficult, requiring size estimation from monocular images. This paper proposes a method for estimating the scale of an object by decomposing it into multiple structural elements and integrating external knowledge regarding design rules, geometric relationships, and conventional dimensions. Specifically, this method detects each component from a monocular image and estimates the size of each component by considering its structural relationships and dimensional consistency with surrounding elements. Furthermore, it generates a 3D asset of the object by reconstructing the estimated components. This method makes it possible to place 3D assets with a scale approximating the real environment within a digital twin space and is expected to contribute to improving the verification accuracy of in-vehicle cameras for autonomous driving in virtual environments.

Normalizing flows are powerful generative models that learn an invertible mapping between complex data distributions and simple latent distributions, typically a standard normal density. However, this choice of latent density can impose unnecessary complexity on the learned flow transformation due to the topological mismatch between the latent and data densities, leading to slower training and suboptimal performance. In this work, we propose using mixtures of probabilistic principal component analyzers (MPPCA) as the latent density for normalizing flows. We simplify the learned flow transformation by learning a latent distribution that more closely aligns with the data distribution in terms of KL divergence, thus enabling faster convergence and improved generative performance. Critically, MPPCA models can be fit quickly and cheaply using the expectation-maximization algorithm, making them a practical choice for initializing latent distributions even in high-dimensional generative tasks. We validate our method on both tabular and image datasets, demonstrating consistent gains in training efficiency and generation quality compared to baselines.

We study the problem of forecasting for an arbitrary number of downstream agents with unknown objectives, each of whom best responds to the forecaster's predictions. We seek a single forecaster that guarantees sublinear swap regret for all downstream agents simultaneously. For two-dimensional outcome spaces, we give a polynomial time algorithm that guarantees $\tilde{O}(\sqrt{kT})$ swap regret for any downstream agent with $k$ actions. This improves over the previously known bound of $\tilde{O}(kT^{5/8})$ and avoids the exponential in $T$ runtime of prior algorithms in this setting. Our algorithm extends nicely to other low dimensional environments, retaining $\tilde{O}(\sqrt{T})$ downstream swap regret while the exponent of $k$ in the regret bound and the exponent of $T$ in the running time both grow with dimension. For arbitrary dimension $d$, we give a forecasting algorithm that guarantees $\tilde{O}(d\sqrt{kT})$ swap regret, assuming the forecaster knows an upper bound $k$ on the number of actions available to any downstream agent, albeit with a much longer runtime. This improves upon previous high dimensional guarantees that had $\tilde{O}(T^{2/3})$ dependence and required additional behavioral assumptions.

Repeatedly solving parametric PDEs is essential for uncertainty quantification, design optimization and inverse problems, but conventional neural operators require expensive non-convex training. We introduce PCA--RaNN, a randomized latent neural operator that combines PCA-based dimensionality reduction with fixed random features and a closed-form least-squares readout. It recasts latent operator learning as fixed-feature linear regression, reducing training time by one to three orders of magnitude across benchmarks while maintaining competitive accuracy. We introduce an energy-matched scaling rule and a lightweight two-parameter BFGS refinement to correct suboptimal feature scales. Ensemble averaging reduces predictive variance. On Burgers, Darcy, Navier--Stokes and backward heat equation benchmarks, PCA--RaNN provides a favorable speed--accuracy trade-off against operator-learning baselines. The ensemble supports split-conformal prediction intervals, and the linear readout enables rapid online adaptation via recursive least squares without retraining hidden features. This provides an efficient, uncertainty-aware surrogate for many-query scientific workflows.

The common factor analytic model is related to Helmholtz and Boltzmann machines, can be conceived as a linear autoencoder, or can be thought of as a single-hidden-layer generative neural network. We thus consider it a basal generative representation learner that can be used as a minimal model for studying the foundational characteristics of (deep) generative model architectures. We focus on the fundamental problem of indeterminacy in latent factor projections. This indeterminacy implies that, even when the intrinsic dimension of the latent vector is known, regularity conditions are met, and rotational indeterminacy is resolved, an inherent indefiniteness in the retrieval of causative latent sources remains: they will be uncertain, distributionally deviant, and non-unique. This can have major implications for data representation but remains an elusive issue, even to practitioners and theorists well-versed in the factor model. Moreover, this classic psychometric problem is intricately related to the modern issue of latent variable collapse in the variational autoencoder framework for deep generative modeling. Here, we assess this indeterminacy from various perspectives and show how these are mathematically and conceptually related and we discuss subsequent implications for the Psychometrics, Statistics, and Artificial Intelligence communities. We show that one has latent factor determinacy across all its facets when the feature-dimension grows to infinity. This feeds into an essentially distribution-free estimation approach in the sample case when the number of features grows very large. We conclude, as these are emergent properties at scale, that the factor model is suited for representation learning of very-high-dimensional data.

Contextual bandits with graph-structured arms arise in recommendation, citation retrieval, and social advertising, where arms connected on a graph tend to share reward signal. Standard dimensionality reduction ignores this structure, inflating exploration cost by a factor of $d/k$. We propose GraphDR-LinUCB, which projects arm features onto the graph's low-frequency spectral subspace and runs linear UCB in the resulting $k$-dimensional space. We prove the first $\wtO(k\sqrt{T})$ regret bound for spectral-projection-based contextual bandits, reducing dimension dependence from $d$ to $k$; a perturbation argument extends this to noisy graphs, with an explicit penalty for reward-smoothness mismatch and graph-estimation error. Our central theoretical finding is that the high-frequency reward component need not incur a worst-case linear-in-$T$ penalty: its actual cost depends on its realized impact along the played path, not on its total energy. A simple spectral comparison between subspaces ($Γ_k$) predicts which reducer wins on a given dataset, correctly calling five of six real-dataset outcomes without any fitted threshold. Across a synthetic benchmark and six real datasets (MovieLens, Amazon, LastFM, ogbn-arxiv, MIND), GraphDR-LinUCB reduces cumulative regret by $15\times$ over full-dimensional LinUCB and outperforms competing graph-aware methods on five of six; the single failure is precisely where the graph's spectral subspace is misaligned with the reward.

We study a solvable high-dimensional model of generative adversarial network (GAN) training in which a linear generator learns a low-dimensional subspace from data with structured latent covariance. Prior solvable GAN analyses assume unconditional signals with diagonal latent covariance; we extend the multi-feature discriminator setting to class-dependent, correlated, and non-zero-mean latent structure. For the quadratic energy discriminator, all such heterogeneity enters the dynamics through a probability-weighted effective second moment. We prove that the stochastic microscopic training process converges, in the high-dimensional limit, to deterministic ordinary differential equations governed by this effective covariance. In the matched-covariance specialization, the stability analysis yields a mode-wise solvable interval determined by the learning rates and noise level: learning begins when the leading effective eigenvalue crosses the lower threshold, while full recovery requires all relevant effective modes to remain within the interval. This reveals a signal-boosting mechanism: low-rank correlations can lift weak directions above the learnability threshold, whereas overly strong correlations destabilize recovery. Numerical simulations validate the ODE, phase boundary, and boosting mechanism. Experiments on MNIST, FashionMNIST, and CIFAR-10 further show that informed generator covariance improves alignment with the data-driven reference subspace.

Several theoretical works have tried to explain the adversarial vulnerability of deep neural networks through properties of high-dimensional geometry. However, the assumptions underlying these works are rarely examined empirically, and systematic evidence remains limited. In this work, we present a systematic study of the role of input dimensionality in both the emergence and the targeted control of adversarial examples. We first analyse the scope and limitations of existing theoretical frameworks based on concentration of measure, showing that real image classes exhibit strong empirical localization, beyond what such theories typically assume. We then conduct an extensive empirical evaluation across hierarchical image datasets spanning a wide range of input dimensionalities and diverse neural architectures. Our results consistently show that adversarial examples become easier to construct as dimensionality increases. We also investigate how input dimensionality affects the additional difficulty of crafting targeted adversarial examples. In particular, we provide theoretical arguments showing that high-dimensional geometry implies that enforcing a specific target label entails only a limited additional distortion compared to untargeted attacks. We corroborate this insight through extensive experiments, demonstrating that the gap between targeted and untargeted perturbations remains small and further narrows as input dimensionality increases. While, taken together, our findings establish high input dimensionality as a fundamental factor underlying the emergence and targeted control of adversarial examples, whether this phenomenon primarily arises from the interplay between high-dimensional geometry and data distributions or from the architectural properties of deep neural networks remains an open question.

Diffusion models are known to exploit unknown low-dimensional structure to accelerate sampling. However, existing convergence theory under low-dimensional data structure has largely focused on update rules with narrowly prescribed coefficient choices. This raises a fundamental question: is adaptation to low-dimensional structure sensitive to the precise choice of update coefficients? In this paper, we show that such adaptation is a robust property of diffusion models. For a broad class of update coefficients, we prove that $\widetilde{O}(k/\varepsilon)$ iterations suffice to generate an $\varepsilon$-accurate sample in total variation (TV) distance, independently of the ambient dimension. Our framework substantially broadens the class of diffusion samplers known to enjoy low dimensional adaptation and applies to several commonly used methods in practice. These results provide a theoretical justification for the empirical effectiveness of diffusion samplers across different coefficient choices when applied to structured, high-dimensional data.

We study high-dimensional differentially private (DP) covariance estimation in the operator norm, and principal component analysis (PCA), under $k$-row-column sparsity ($k$-RCS) of the covariance matrix. In the non-private setting, it is known that $\mathsf{poly}(k, \log d)$ samples suffice to solve both of these problems. However, the only comparable result known under DP (Wang et al. 2021) requires $Ω(d)$ samples under standard parameterizations of the problem. We investigate when this curse of dimensionality is inherent for sparse covariance estimation tasks under DP. On the upper bound front, we show that a $\mathsf{poly}(k, \log d)$ sample complexity for PCA is possible under DP, if we also posit sparsity of the leading eigenvector. We complement this result with $\mathsf{poly}(d)$ lower bounds under DP for both sparse covariance estimation and PCA, establishing an exponential gap between the private and non-private variants of these problems when $k = \mathsf{polylog}(d)$. To our knowledge, no such separation has previously been demonstrated for any sparse estimation problems in private high-dimensional statistics. Our techniques are flexible enough that they imply stronger lower bounds even for the well-studied problem of standard DP PCA, without sparsity assumptions.

Generating large images via deep learning requires patching input data to accommodate hardware memory limitations, then assembling output patches, a process that can introduce stitching artifacts when neighboring patches do not align at borders. While these artifacts are known to affect segmentation tasks, their impact on generative models for style-transfer remains poorly understood. We investigated three stitching approaches and two patch dimensionalities (2D vs 3D) using cycleGAN models trained on cryo-electron microscopy datasets. We evaluated both perceptual quality and performance on downstream mitochondria segmentation. Our key findings reveal that: (1) FID scores fail to detect subtle stitching artifacts that significantly impact downstream segmentation performance, (2) 3D models with artifact-free stitching marginally outperform 2D models on downstream tasks, though the improvement barely justifies the computational cost, and (3) 2D models train more stably due to larger batch sizes. Additionally, we demonstrate that ensembling predictions from three orthogonal directions can improve low-quality volumes but provides no benefit for high-quality outputs. These results demonstrate that maximizing generative model performance on large scientific datasets requires careful consideration and mitigation of stitching artifacts, and that perceptual metrics alone are insufficient for evaluating domain adaptation quality in biomedical imaging.

The remarkable success of score-based diffusion models has spurred significant efforts to establish their theoretical foundations. However, existing complexity bounds for score approximation rely heavily on restrictive assumptions like Lipschitz continuous densities or smooth manifold supports, which are routinely violated by the singularities, sharp boundaries, and disjoint clusters inherent to real-world perceptual data. This work establishes a universal score approximation theorem that works for any distribution supported on any compact set of upper Minkowski dimension $d$. Using a novel discrete-mixture formulation, we prove that the score function can be approximated with a ReLU network whose complexity grows exponentially only with $d$, thus breaking the exponential curse of ambient dimensionality. Combined with existing theories on accurately solving the backward diffusion SDE for arbitrary compact distributions, our work shows that diffusion models readily adapt to irregular, non-smooth data structures, explaining their competence in real-world generative tasks.

The Quantum Approximate Optimization Algorithm (QAOA) is a leading variational algorithm for combinatorial optimization on near term quantum devices. As circuit depth increases, the number of optimization parameters grows, making the search landscape increasingly nonlinear and difficult to optimize. Previous studies have shown that optimal QAOA parameters often lie on a low dimensional manifold that can be approximated using Principal Component Analysis (PCA) at shallow circuit depths. However, the effectiveness of PCA decreases at higher depths because the underlying parameter manifold becomes increasingly nonlinear. In this work, we investigate Kernel Principal Component Analysis (KPCA) with a radial basis function kernel as a nonlinear dimensionality reduction technique for QAOA parameter optimization. The model is trained using 200 graphs from each of 3 graph families, namely Erdos-Renyi, Barabasi-Albert, and Watts-Strogatz, with graph sizes ranging from 7 to 10 nodes. Performance is evaluated on 30 test graphs containing 12 nodes at circuit depths 1, 2, 4, and 8. Experimental results demonstrate that KPCA consistently outperforms PCA at deeper circuit depths across all graph families. At depth 8, KPCA achieves approximation ratios above 0.86, while PCA declines to approximately 0.81 to 0.83. Both methods reduce the number of quantum circuit evaluations by more than 93 percent relative to unrestricted QAOA optimization. These findings suggest that nonlinear kernel methods more effectively capture the structure of the QAOA parameter manifold and provide a practical approach for scaling variational quantum optimization to deeper circuits.

Compositional learning systems must balance plasticity, the ability to acquire new knowledge, with stability, the preservation of previously learned components, especially when tasks share structure and risk interference. We study how modular architecture, task similarity, and representational dimensionality jointly shape compositional continual learning in a sequential A-B-A paradigm, comparing a task-partitioned recurrent network to a single-network baseline while inducing high- and low-dimensional regimes via weight-scale manipulations. In a high-dimensional "lazy" regime, both architectures achieve similar performance and internal geometry, suggesting that explicit modular structure has little impact when representations are weakly constrained. In a lower-dimensional "rich" regime, modularity becomes decisive: the modular network develops graded task-specific subspaces that overlap for similar tasks, partially align for moderately dissimilar tasks, and separate for dissimilar tasks, yielding a more compositional and interpretable organization than the single network. These findings identify the representational regime induced by initialization scale, which co-varies with representational dimensionality, as a key factor governing when compositional, modular structure is functionally beneficial in continual learning, and support viewing safety and robustness as problems of adaptive allocation of representational subspaces rather than fixed separation versus sharing.

This paper is concerned with learning principal variations of random probability measures on $\mathbb{R}^m$ under the Wasserstein geometry. We introduce a new dynamical formulation to interpret the log-PCA, a linearized principal geodesic analysis, as a variational approach. Our differentiable version, termed as the Wasserstein Tangential PCA (WT-PCA), captures the local principal modes of geodesic variations of a (weighted) probability measure on the Wasserstein space via its covariance operator at barycenter. Based on the dynamical perspective and leveraging parallel transport structure of the optimal transport problems, we derive a general statistical convergence rate of the empirical WT-PCA when estimated from data in terms of the 2-Wasserstein distance between the population and empirical barycenter reference measures.

In this work, we tackle the following question: Can neural networks trained with gradient-based methods achieve the optimal computational-statistical tradeoff in learning Gaussian single-index models? Prior research has shown that any polynomial-time algorithm under the statistical query (SQ) framework requires $Ω(d^{s^\star/2}\lor d)$ samples, where $s^\star$ is the generative exponent representing the intrinsic difficulty of learning the underlying model. However, it remains unknown whether neural networks can achieve this sample complexity. Inspired by prior techniques such as label transformation and landscape smoothing for learning single-index models, we propose a unified gradient-based algorithm for training a two-layer neural network in polynomial time. Our method is adaptable to a variety of loss and activation functions, covering a broad class of existing approaches. We show that our algorithm learns a feature representation that strongly aligns with the unknown signal $θ^\star$, with sample complexity $\widetilde{O} (d^{s^\star/2} \lor d)$, matching the SQ lower bound up to a polylogarithmic factor for all generative exponents $s^\star\geq 1$. Furthermore, we extend our approach to the setting where $θ^\star$ is $k$-sparse for $k = o(\sqrt{d})$ by introducing a novel weight perturbation technique that leverages the sparsity structure. We derive a corresponding SQ lower bound of order $\widetildeΩ(k^{s^\star})$, matched by our method up to a polylogarithmic factor. Our framework, especially the weight perturbation technique, is of independent interest, and suggests potential gradient-based solutions to other problems such as sparse tensor PCA.

Few-shot label acquisition lacks a label-free signal for when additional labels cease to improve accuracy: existing stopping criteria either require a held-out validation set (violating the few-shot premise) or rely on theoretically ungrounded heuristics, so we introduce the spectral saturation index $S(K)=\mathrm{erank}(\hatΣ_W^{(K)})/K$, the exponential spectral entropy of the pooled within-class covariance normalized by per-class support size $K$, which measures the exploration rate per label and falls below a fixed threshold $τ=0.02$ once the explored spectral subspace saturates and marginal accuracy gains vanish; across 49 real tasks (binary, 5-way, 10-way) and three frozen backbones (PCA-50, CLIP ViT-B/32, DINOv2 ViT-S/14), $S(K)$ correlates strongly with the marginal gain on doubling the support set ($ρ_{\text{pool}}=0.6366$, $p=2.9\times10^{-57}$, cluster-bootstrap 95% CI $[0.551,0.720]$), a fixed $τ=0.02$ classifies stop/continue decisions with cluster-bootstrap $\mathrm{AUC}=0.787$ (95% CI $[0.713,0.860]$) with high recall on meaningful gains ($ΔA>1\%$), and a partial correlation controlling for $\log K$ yields $ρ_{\text{partial}}=0.324$ ($p=1.65\times10^{-13}$), confirming $S(K)$ carries spectral information beyond shared $K$-dependence; theory predicts this from first principles, since the population effective rank sets the saturation scale $K_{\text{sat}}\approx\mathrm{erank}(Σ_W)/τ$, $τ=0.02$ sits at the boundary between the first and second descent (Nakkiran et al., 2021), and $O(1/K)$ bias in the sample effective rank explains the small-$K$ hump in $S(K)$; for unregularized linear probes ($C=\infty$), practitioners should halt when $S(K)<0.02$ (PCA-50, hard stop) or monitor $S(K)$ dropping from $\sim0.3\to0.05$ (foundation models, diminishing-returns signal), with computation costing $\sim1$ ms at $d=50$.

Principal Component Analysis (PCA) preserves variance, not the information needed to detect rare catastrophic events. This paper proves the existence of a {\it Risk Shadow}: PCA can retain over 99.9999 percent of total variance while completely erasing all signal about rare, high-impact failures. When this happens, even the best possible classifier operating on the PCA representation reduces to a constant predictor. The root cause is a fundamental mismatch between variance maximization and tail risk awareness. To break the shadow, we introduce Expectile PCA (ExPCA) and Tail-Preserving PCA (TP-PCA), two methods that reweight the data covariance toward high-impact events. We prove theoretically that ExPCA strictly outperforms PCA in retaining rare-event information, and we validate our claims on synthetic data and a real-world credit card fraud detection benchmark. Our results call for a fundamental rethinking of variance-based dimensionality reduction in high-stakes decisions.

High-dimensional datasets often concentrate near low-dimensional structures, but estimating their geometry from samples typically relies on graphs and kernels that scale poorly with dataset size and dimension. We propose Riemannian metric matching: a denoising probabilistic framework for learning the Riemannian geometry of data using neural networks. Specifically, we learn the carré du champ operator, which, using diffusion geometry, gives us access to the Riemannian geometry toolkit for downstream machine learning and statistical tasks. Our key observation is that the carré du champ operator can be formulated as a conditional expectation over random perturbations of the data, which can be exploited for sample-wise training and constant cost, amortized inference without explicit kernel construction. Empirically, metric matching rivals or improves the accuracy of $k$-NN-based diffusion geometry estimators, while enabling amortized inference that is up to $400\times$ faster, and supports graph-free geometric analysis on high-dimensional images where nearest neighbors break down.

This paper evaluates a signal-processing and supervised-learning pipeline for classifying SDSS DR17 astronomical spectra into stars, galaxies, and quasars. Each spectrum is represented by its measured flux and inverse-variance information, combining spectral shape with a wavelength-dependent reliability profile. After resampling onto a common logarithmic wavelength grid, the flux and inverse-variance vectors are standardized and separately compressed using principal component analysis. The resulting components are concatenated and used to train several classifiers. The best performance was obtained with the LightGBM gradient-boosting classifier, reaching $94.6\%$ accuracy and $92.1\%$ balanced accuracy on the test set.

Saliency-guided training is a paradigm in visual recognition that encourages models to focus on the most relevant image regions during learning. While its application in biometric presentation attack detection (PAD) has shown strong benefits in robustness and generalization, adoption is often limited by the high cost, domain specificity, and limited scalability of existing saliency acquisition methods, such as human annotations over a limited dataset. We present a novel, cost-efficient, and highly-scalable approach to saliency acquisition using maps inspired by classical dimensionality reduction techniques: PCA and LDA. Our proposed methods generate saliency maps directly from raw training data, requiring no human annotation nor domain knowledge. We contextualize the effectiveness of these saliency sources in three saliency-explored domains (iris PAD, synthetic face detection, fingerprint PAD) and demonstrate its scalability in two saliency-novel domains (fingerprint vein PAD and ID card PAD). Across all domains tested, models trained using dimensionality reduction-sourced saliency maps exceed baseline and sometimes SOTA saliency methods without any resource investment or domain-specific tooling. Our findings overcome an important yet unaddressed barrier to saliency-guided training for biometric attack detection and beyond.

Sparse autoencoders (SAEs) are widely used to interpret neural network representations, but their utility depends on whether the learned features are reproducible across training runs. We study this question through \emph{feature stability}: for each SAE feature, we estimate the probability that a similar feature reappears in an independently trained SAE. This yields a scalable per-feature signal that separates stable from unstable features. In a large-scale study across seeds, models, layers, dictionary sizes, and SAE variants, we find a pronounced functional asymmetry: stable features carry most of the reconstruction- and prediction-relevant signal, while unstable features have weak marginal impact and are dominated by low-frequency surface-form triggers in both activation statistics and automatic explanations. Geometrically, unstable features are individually non-reproducible but concentrate in reproducible lower-rank subspaces, suggesting that seed dependence often reflects basis ambiguity within a shared region of activation space rather than pure noise. A controlled synthetic model makes this mechanism explicit, showing that low-rank ground-truth features can be recovered at the subspace level while remaining non-identifiable as individual SAE latents across seeds. Finally, by pooling unique cross-seed features, we construct more stable SAEs while preserving explained variance in this setting. Together, these results show that unstable features are not merely failed or noisy latents: they have weak individual functional impact, but reflect reproducible low-dimensional structure that standard SAEs resolve differently across seeds.

Anomaly detection plays a critical role in identifying unusual patterns across domains such as fraud detection, network intrusion, and system fault diagnosis. Recently, Christoffel function-based methods, rooted in polynomial optimization, have emerged as promising alternatives to deep learning due to their strong mathematical foundations and computational frugality. However, their practical applicability is hindered by the need to invert a matrix whose size grows exponentially with the data dimension, rendering the method intractable even for moderate-dimensional datasets. This paper addresses the dimensionality limitations of Christoffel function-based anomaly detection while preserving its key theoretical properties, i.e., the on-off support dichotomy behavior and the accurate support shape capture. We introduce UCF, a univariate Christoffel function which is based on the squared distance between the query point and the support points. Extensive experiments on the ADBench benchmark demonstrate that UCF consistently outperforms 14 state-of-the-art baselines in terms of Average Precision. By resolving the scalability bottleneck of the Christoffel Function, this work expands the toolkit of anomaly detection methods with a robust, theoretically grounded, and universally applicable approach.

Embodied world models have emerged as a pivotal paradigm for visual robotic decision-making and interactive environment simulation. However, conventional embodied frameworks rely on low-dimensional structured action vectors (e.g., joint angles and end-effector poses), which suffer from limited expressive capacity, poor generalization across diverse embodiments, and unnatural dynamic modeling for complex physical interactions. To address these limitations, this paper proposesiMac (Image as Action Control), a novel unified control paradigm that treats raw visual images as native action representations for embodied world models. Departing from traditional explicit kinematic action encoding, iMac formulates continuous visual manipulation as image-based action tokens, which inherently encapsulate spatial motion intentions, interactive geometric constraints and subtle physical dynamics. We construct a dual-branch embodied architecture consisting of an image-action encoder and a dynamic world predictor: the encoder compresses target-driven visual images into compact action embeddings, while the predictor learns environment transition rules conditioned on image actions to achieve high-fidelity future state prediction and closed-loop embodied control. Extensive experiments are conducted on public embodied manipulation benchmarks and real-world robotic scenarios. The results demonstrate that iMac outperforms vector-based action control baselines in prediction accuracy, task success rate and cross-scene generalization ability. Moreover, our image-action design eliminates the reliance on manually defined action spaces, realizing flexible and universal control for heterogeneous embodied agents. This work provides an innovative visual-action perspective for embodied world models, offering a simple yet effective paradigm for scalable robotic perception and manipulation.