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 Performance Analysis


Large Dimensional Kernel Ridge Regression: Extending to Product Kernels

arXiv.org Machine Learning

Recent studies have reported $\textit{saturation effects}$ and $\textit{multiple descent behavior}$ in large dimensional kernel ridge regression (KRR). However, these findings are predominantly derived under restrictive settings, such as inner product kernels on sphere or strong eigenfunction assumptions like hypercontractivity. Whether such behaviors hold for other kernels remains an open question. In this paper, we establish a broad, new family of large dimensional kernels and derive the corresponding convergence rates of the generalization error. As a result, we recover key phenomena previously associated with inner product kernels on sphere, including: $i)$ the $\textit{minimax optimality}$ when the source condition $s\le 1$; $ii)$ the $\textit{saturation effect}$ when $s>1$; $iii)$ a $\textit{periodic plateau phenomenon}$ in the convergence rate and a $\textit {multiple-descent behavior}$ with respect to the sample size $n$.


Average Gradient Outer Product in kernel regression provably recovers the central subspace for multi-index models

arXiv.org Machine Learning

We study a prototypical situation when a learned predictor can discover useful low-dimensional structure in data, while using fewer samples than are needed for accurate prediction. Specifically, we consider the problem of recovering a multi-index polynomial $f^*(x)=h(Ux)$, with $U\in\mathbb{R}^{r\times d}$ and $r\ll d$, from finitely many data/label pairs. Importantly, the target function depends on input $x$ only through the projection onto an unknown $r$-dimensional central subspace. The algorithm we analyze is appealingly simple: fit kernel ridge regression (KRR) to the data and compute the Average Gradient Outer Product (AGOP) from the fitted predictor. Our main results show that under reasonable assumptions the top $r$-dimensional eigenspace of AGOP provably recovers the central subspace, even in regimes when the prediction error remains large. Specifically, if the target function $f^*$ has degree $p^*$, it is known that $n\asymp d^{p^*}$ samples are necessary for KRR to achieve accurate prediction. In contrast, we show that if a low degree $p$ component of $f^*$ already carries all relevant directions for prediction, subspace recovery occurs in the much lower sample regime $n\asymp d^{p+δ}$ for any $δ\in(0,1)$. Our results thus demonstrate a separation between prediction and representation, and provide an explanation for why iterative kernel methods such as Recursive Feature Machines (RFM) can be sample-efficient in practice.


What is Learnable in Valiant's Theory of the Learnable?

arXiv.org Machine Learning

Valiant's 1984 paper is widely credited with introducing the PAC learning model, but it, in fact, introduced a different model: unlike PAC learning, the learner receives only positives, may issue membership queries, and must output a hypothesis with no false positives. Prior work characterized variants, including the case without queries. We revisit Valiant's original model and ask: *Which classes are learnable in it?* For every finite domain, including Valiant's Boolean-hypercube setting, we show that a class is learnable if and only if every realizable positive sample can be certified by a poly-size adaptive query-compression scheme. This is a new variant of sample compression where the learner certifies samples via a short interaction with the membership oracle. Our characterization shows that learnability in Valiant's model is strictly sandwiched between learnability in the PAC model and the variant of Valiant's model without membership queries. This is one of the rare cases where introducing membership queries changes the set of learnable classes, and not just the sample or computational complexity. Next, we study the natural extension of the model to arbitrary domains. While we do not obtain an exact characterization, our techniques readily generalize and show that the same strict sandwiching persists. Finally, we show that $d$-dimensional halfspaces, which are not learnable without queries, are learnable with queries: we give a $\mathrm{poly}(d) \tilde{O}(1/ε)$ sample and $\mathrm{poly}(d) \mathrm{polylog}(1/ε)$ query algorithm, and prove that at least $Ω(d)$ samples or queries are necessary. To our knowledge, this is the first algorithm for halfspaces in Valiant's model. Together, these results uncover a surprisingly rich theory behind Valiant's original notion of learnability and introduce ideas that may be of independent interest in learning theory.


Testing General Relativity Through Gravitational Wave Classification: A Convolutional Neural Network Framework

arXiv.org Machine Learning

We present a machine learning framework for testing general relativity (GR) with gravitational wave signals from binary black hole mergers. Using the source parameters of 173 BBH events from the GWTC catalog as a realistic astrophysical population, we generate simulated GR waveforms and construct beyond GR (BGR) waveforms by applying controlled phase deformations. We introduce a response function formalism that provides a systematic framework for quantifying how any observable responds to modifications of GR. We train convolutional neural networks (CNNs) on two input representations: whitened waveforms and a response function type observable derived from the waveform mismatch, which isolates the effect of phase deviations from the bulk signal. Using response functions as the CNN input improves the classification sensitivity by a factor of approximately 33 compared to whitened waveforms, demonstrating that the choice of observable representation is as important as the classifier architecture. We study the fundamental limits of this classification through Bayes optimal error analysis, averaging methods that reveal coherent patterns hidden in noise, and a comparison between CNN accuracy and a single feature classifier as a proxy for human performance. At all deformation scales, the CNN outperforms the best single feature approach. We extend the framework to physically motivated theories using the parameterized post Einsteinian (ppE) formalism and apply it to massive gravity, where the classifier detects deviations for graviton masses of order $m_g \sim 10^{-23}\;\mathrm{eV}/c^2$ with aLIGO design sensitivity.


Measuring and Decomposing Mode Separation via the Canonical Diffusion

arXiv.org Machine Learning

Mode separation, namely how sharply a distribution fragments into barrier-separated clusters, is a fundamental geometric property of densities, difficult to quantify in high dimensions. It is structurally distinct from dispersion, yet existing tools fall short: differential entropy rises with spread regardless of fragmentation, PCA orders directions by variance regardless of barriers, and mutual information requires a mixture decomposition one usually does not have. We measure mode separation through a single stochastic process intrinsic to the density: a unique reversible diffusion with $f$ as its stationary distribution and constant scalar diffusion coefficient. We extract two readouts from its autocovariance matrix: SSA (Sum of Squared Autocorrelations), a scalar barrier-sensitive measure; and DA (Dominant Autocorrelation directions), linear projections ordered by metastability rather than variance. Under an isotropic-Gaussian null, we derive a closed-form spectrum for the empirical autocovariance that generalizes Marchenko--Pastur, with an analytic upper edge that selects the lag at which DA is read off. Both readouts use only samples and a score function, scaling to high dimensions through pretrained score-based generative models via Tweedie's identity. We apply our framework to three settings: (i) synthetic Gaussian mixtures, where SSA tracks mutual information; (ii) SDXL text-to-image generations, where SSA and DA capture structure that entropy and PCA miss; and (iii) molecular dynamics of alanine dipeptide, where DA recovers the known slow backbone dihedrals from static samples alone.


Survey-aware Machine Learning: A Guideline for Valid Population Health Inference based on Scoping Review

arXiv.org Machine Learning

Machine Learning (ML) models trained on complex health surveys such as the National Health and Nutrition Examination Survey (NHANES) often ignore primary sampling units, stratification variables, and sampling weights. This practice violates the independence assumptions of standard evaluation methods. As a result, estimates become biased, uncertainty is underestimated, and fairness assessments fail to reflect population-level disparities. We propose Survey-aware Machine Learning (SaML), a nine-step guideline that incorporates survey design metadata across the ML lifecycle. Through a scoping review of 16 methodological papers, we summarize existing work on weighted model training, design-based cross-validation, and survey-adjusted performance evaluation. We also identify gaps in hyperparameter tuning and deployment. We provide task-specific guidance that clarifies which steps are required for different analytical objectives. SaML provides a checklist for valid population inference from survey data.


Scalable Gaussian process inference via neural feature maps

arXiv.org Machine Learning

We present a theoretically grounded Gaussian process framework that leverages neural feature maps to construct expressive kernels. We show that the learned feature map can be interpreted as an optimal low-rank approximation to a Gram matrix derived from an implied RKHS, from which we establish consistency of the GP posterior. We further analyse the spectral properties of the induced kernels and introduce product feature-map kernels to address oversmoothing. This simple yet powerful approach enables fast, scalable, and accurate exact GP inference with minimal upfront work. The flexibility of kernel design supports seamless application to both regression and classification tasks across diverse data modalities, including tabular inputs and structured domains such as images.


Simultaneous Long-tailed Recognition and Multi-modal Fusion for Highly Imbalanced Multi-modal Data

arXiv.org Machine Learning

As datasets continue to expand in size and complexity, these models have become increasingly sophisticated, with deeper architectures and greater expressive power. Despite these advances, DNNs trained on imbalanced class distributions often exhibit a tendency to favor majority classes, leading to degraded performance on underrepresented classes [18, 39, 27, 17]. Because many real-world datasets follow long-tailed distributions in which minority classes can contain critical and informative patterns, developing methods that enable DNNs to learn effectively from imbalanced data is essential to prevent the loss of valuable information from these rare classes [26, 34, 16]. Moreover, data encountered in real-world applications are frequently multi-modal, meaning that observations originate from heterogeneous sources [6, 29, 7, 35]. To make effective use of such heterogeneous inputs, a wide range of multi-modal learning approaches have been proposed that exploit complementary information across modalities to enhance predictive performance [10, 5]. Common strategies integrate multiple modalities into a unified representation, using techniques that span from straightforward feature-level concatenation [19, 11, 12] to more sophisticated neural architectures that learn joint representations in an end-to-end manner [20, 32]. Although prior research has extensively studied class imbalance and multi-modal data separately, relatively little attentionhas beengiven to settings where bothchallenges arise si2 multaneously. Developing methods that can effectively handle long-tailed class distributions in conjunction with multi-modal inputs is therefore essential in many real-world applications. In the medical domain, for instance, datasets often contain far more samples from healthy individuals than from patients with specific conditions, while also encompassing diverse datatypes such asimagingdata(e.g., X-rays)alongsideauxiliary informationincluding demographics and clinical histories.


Bias and Uncertainty in LLM-as-a-Judge Estimation

arXiv.org Machine Learning

LLM-as-a-Judge evaluation has become a standard tool for assessing base model performance. However, characterizing performance via the naive estimator, i.e., raw judge outputs, is systematically biased. Recent work has proposed estimators to correct this bias, but their reliability depends critically on judge quality and, for model comparisons, on calibration stability. Sharing calibration across compared models is practically attractive but can introduce severe bias, including cases where the comparison estimate points in the wrong direction with high apparent confidence. We study these failure modes through analytical results, simulations over judge quality ($J$) and cross-model calibration instability ($ΔJ$), and a real-data MMLU-Pro case study with sign reversal. We propose $J$ and $ΔJ$ as diagnostics for when corrected estimates, especially shared-calibration comparisons, are likely unreliable, and provide reporting guidance for LaaJ evaluation.


Reliable Chain-of-Thought via Prefix Consistency

arXiv.org Machine Learning

Large Language Models often improve accuracy on reasoning tasks by sampling multiple Chain-of-Thought (CoT) traces and aggregating them with majority voting (MV), a test-time technique called self-consistency. When we truncate a CoT partway through and regenerate the remainder, we observe that traces with correct answers reproduce their original answer more often than traces with wrong answers. We use this difference as a reliability signal, prefix consistency, that weights each candidate answer by how often it reappears under regeneration. It requires no access to token log-probabilities or self-rating prompts. Across five reasoning models and four math and science benchmarks, prefix consistency is the best correctness predictor in most settings, and reweighting votes by it reaches Standard MV plateau accuracy at up to 21x fewer tokens (median 4.6x). Our code is available at https://github.com/naoto-iwase/prefix-consistency.