arXiv subjects

John Paisley

Publications and source records attributed to John Paisley.

At least 37 records · Page 2Linked to original sources

arXiv2026

Higher-Order Token Interactions via Quantum Attention

Standard dot-product self-attention computes, in a single layer, only pairwise (order-2) interactions between tokens; representing a generic order-$k$ interaction is known to require either super-quadratic resources in one layer or composition across depth. We introduce \textbf{Quantum Higher-Order Attention (QHA)}, a shallow, hardware-realizable quantum attention head that, via data re-uploading and an all-to-all non-Clifford entangler, synthesizes order-$k$ token interactions inside the circuit and exposes them through a local single-qubit read-out. We prove (i) an expressivity separation: any single standard self-attention layer with embedding dimension $m$, $H$ heads and $p$-bit precision satisfying $mHp=o(N/\log\log N)$ cannot represent the order-$k$ correlation family that one QHA head represents with circuit depth $O(\log k)$ ($O(k)$ two-qubit gates); and (ii) a trainability guarantee for its local-design instantiation: with a local read-out and $O(\log n)$ depth the gradient variance is $Ω(1/\mathrm{poly}(n))$ (no barren plateau), which we confirm empirically -- while being explicit that the more expressive all-to-all instantiation we benchmark is trained empirically and shows exponentially decaying gradients. Empirically, at a $6.5\times$ smaller parameter budget, QHA generalizes hidden-subset parity of every order $k\le6$ from disjoint inputs, whereas the larger classical attention head collapses past order~2; consistent with theory, the size of the advantage tracks the target's Fourier degree - largest for parity and shrinking when low-order structure is present. As an application, QHA serves as a compact high-order interaction detector across three domains - genetic epistasis, learning-parity-with-noise, and graph triangle detection - reaching the noise ceiling at the smallest parameter budget where field-standard linear methods fail.

quant-ph↗

arXiv2026

Effective Dimension Governs Generalization in Quantum Kernel Vision Models

Recent quantum vision models-quantum vision transformers and quantum convolutional networks-report two striking but unexplained empirical phenomena: (i) ansatze with more, or more uniformly distributed, entanglement generalize better, and (ii) injecting quantum noise can improve test accuracy rather than degrade it. These observations are currently treated as curiosities, discovered by grid search and explained, if at all, by hand. We show that both are manifestations of a single, measurable quantity: the \emph{effective dimension} $d_{\rm eff}$ of the (noise-shaped) quantum feature kernel. Working primarily with quantum-kernel vision models-a quantum feature map read out by a kernel classifier-we give a spectral account in which entanglement structure and quantum noise are two knobs that move $d_{\rm eff}$; in an overfitting regime, contracting $d_{\rm eff}$ acts as ridge-like regularization. We analyze the mechanism: an \emph{exact} decomposition of the depolarized kernel $K_p=(1-p)^2K+\tfrac{p(2-p)}{D}\mathbf{1}\mathbf{1}^\top$ with $d_{\rm eff}(K_p)\to1$, a contraction result (and its boundary) for amplitude damping, a kernel-machine capacity bound, and a capacity/alignment risk decomposition; the monotone contraction operative in our entangled experiments is verified empirically, not proven in general. Along the one-parameter depolarizing family the collapse is instead exact by construction; we use it only to confirm the kernel decomposition to machine precision and at up to $12$ qubits, not as evidence for $d_{\rm eff}$. Amplitude damping contracts $d_{\rm eff}$ and lifts test accuracy by up to $+13\%$ along an inverted-U sweet spot; the effect's sign flips between the over- and under-fitting regimes; noise injection matches an explicit spectral-filtering frontier. Our results organize two reported anecdotes into a single measurable principle for designing quantum-vision models.

cs.LG↗

arXiv2026

Implicit Variational Rejection Sampling

Variational Inference (VI) is a fundamental inference technique in Bayesian machine learning for approximating complex posterior distributions. Traditional VI often relies on the mean-field factorization, which can inadequately capture true posterior complexity. Recent advancements have leveraged neural networks to model implicit distributions, offering increased flexibility. However, the practical constraints of neural network architectures still produces inaccuracies. In this paper, we propose a method called Implicit Variational Rejection Sampling (IVRS), which integrates implicit distributions with rejection sampling to improve the posterior approximation. Our method uses neural networks to construct implicit proposal distributions, and rejection sampling with a discriminator network that estimates the density ratio between the implicit proposal and the true posterior for refining the approximation. Towards this end, we introduce the Implicit Resampling Evidence Lower Bound (IR-ELBO) as a metric to characterize the resampled distribution's quality and derive a tighter variational lower bound. Experimental results demonstrate that our method outperforms traditional variational inference techniques.

cs.LG↗

arXiv2026

The Right Measure for Physics-Constrained Generation: A Co-Area Correction for Posterior-Consistent PDE Inverse Problems

Generative models -- diffusion and flow matching -- are increasingly used to solve partial differential equation (PDE) inverse problems, enforcing the governing physics as a \emph{hard constraint} (via projection or guidance) and reporting the resulting samples as a Bayesian posterior with calibrated uncertainty. We show that this widely adopted recipe samples the wrong distribution. Conditioning a generative prior on a hard PDE constraint is conditioning on a measure-zero manifold -- an operation that is intrinsically ambiguous (the Borel--Kolmogorov paradox) and whose physically correct resolution, the small-residual-noise limit, carries a co-area (Fixman) Jacobian factor $[det(JJ^{\top})]^{-1/2}$ that projection- and guidance-based methods silently omit. We make the bias precise, show that it grows with the heterogeneity of the constraint sensitivity, and validate it on controlled problems against an \emph{i.i.d.} ground-truth arbiter. The omitted factor is not a second-order detail: removing it inflates the posterior error to $20\times$ the sampling-noise floor; minimal-displacement projection (as in PCFM) is biased at $9\times$ the floor; and a naive scalar reweighting does not fix it. We introduce \textbf{CoCoS}, a measure-aware constrained sampler that targets the correct co-area posterior, and show that it matches the gold-standard posterior to within sampling noise. Our results imply that ``satisfying the physics'' is not the same as ``sampling the posterior,'' and give a principled correction for uncertainty-aware scientific inference.

cs.LG↗

arXiv2026

Spectral Anatomy of Quantum Gaussian Process Kernels

Two recent results have reshaped quantum Gaussian processes (QGPs). On the one hand, \citet{lowe2025assessing} rule out the exponential speedups claimed by HHL-based QGP regression in the typical, well-conditioned regime; on the other, an independent line of work shows that highly expressive quantum kernels suffer posterior pathologies that break Bayesian optimization. We show that these seemingly unrelated phenomena are governed by the same quantity: the normalized spectral entropy $S(K)/\log n$ of the kernel Gram matrix. We prove a Cauchy--Schwarz tail bound on Nyström approximation error, a finite-sample variance-contraction identity in terms of Bach's degrees of freedom $d_σ(K)$, and a characterization of the \emph{target-dependent} optimal entropy via the intrinsic dimension of the target in the kernel eigenbasis. Empirically, the diagnostic is kernel-agnostic: hardware-efficient, matchgate, IQP \emph{and} RBF/Matérn/RFF/deep-kernel families all collapse onto identical $S/\log n$ curves on dequantization, ECE, and variance-contraction panels. The NLL sweet spot lives at high entropy for smooth targets and at low entropy for band-limited quantum-data targets. The diagnostic transfers from simulator to IBM Heron hardware with median absolute error $3.2\%$ and mean $5.2\%$ in $S/\log n$ across $24$ configurations at $n_q = 4$, with matchgate and IQP within $5\%$ mean and a single HE configuration returning a $30\%$ outlier that drops to $0.5\%$ on rerun (attributed to calibration drift); the same diagnostic transfers to a second Heron backend (mean error $2.7\%$) and to a $n_q = 6$ scale-up on the original backend (mean error $1.7\%$). No error mitigation is applied throughout.

cs.LG↗

arXiv2026

A Minimum Variance Path Principle for Accurate and Stable Score-Based Density Ratio Estimation

Score-based methods are powerful across machine learning, but they face a paradox: theoretically path-independent, yet practically path-dependent. We resolve this by proving that practical training objectives differ from the ideal, ground-truth objective by a crucial, overlooked term: the path variance of the score function. We propose the MVP (**M**imum **V**ariance **P**ath) Principle to minimize this path variance. Our key contribution is deriving a closed-form expression for the variance, making optimization tractable. By parameterizing the path with a flexible Kumaraswamy Mixture Model, our method learns data-adaptive, low-variance paths without heuristic manual selection. This principled optimization of the complete objective yields more accurate and stable estimators, establishing new state-of-the-art results on challenging benchmarks and providing a general framework for optimizing score-based interpolation. Our code can be found in https://github.com/Hoemr/OpenDRE.git.

cs.LG↗

arXiv2026

One-Step Score-Based Density Ratio Estimation

Density ratio estimation (DRE) is a useful tool for quantifying discrepancies between probability distributions, but existing approaches often involve a trade-off between estimation quality and computational efficiency. Classical direct DRE methods are usually efficient at inference time, yet their performance can seriously deteriorate when the discrepancy between distributions is large. In contrast, score-based DRE methods often yield more accurate estimates in such settings, but they typically require considerable repeated function evaluations and numerical integration. We propose One-step Score-based Density Ratio Estimation (OS-DRE), a partly analytic and solver-free framework designed to combine these complementary advantages. OS-DRE decomposes the time score into spatial and temporal components, representing the latter with an analytic radial basis function (RBF) frame. This formulation converts the otherwise intractable temporal integral into a closed-form weighted sum, thereby removing the need for numerical solvers and enabling DRE with only one function evaluation. We further analyze approximation conditions for the analytic frame, and establish approximation error bounds for both finitely and infinitely smooth temporal kernels, grounding the framework in existing approximation theory. Experiments across density estimation, continual Kullback-Leibler and mutual information estimation, and near out-of-distribution detection demonstrate that OS-DRE offers a favorable balance between estimation quality and inference efficiency.

stat.ML↗

arXiv2026

Sparse Variational Student-t Processes for Heavy-tailed Modeling

The Gaussian process (GP) is a powerful tool for nonparametric modeling, but its sensitivity to outliers limits its applicability to data distributions with heavy-tails. Studentt processes offer a robust alternative for heavy tail modeling, but they lack the scalable developments of the GP to large datasets necessary for practical applications. We present Sparse Variational Student-t Processes (SVTP), the first principled framework that extends the sparse inducing point method to the Student-t process. We develop two novel inference algorithms, SVTP-UB and SVTP-MC, with theoretical guarantees, and derive a natural gradient optimization that exploits a previously unused connection between the Fisher information matrix of the multivariate Student-t distribution and the beta function (the 'beta link'). Experiments on UCI and Kaggle datasets demonstrate that SVTP significantly outperforms sparse GPs on when the data is contains outliers and heavy tails, achieving up to 3 times faster convergence and 40% lower prediction error while maintaining computational efficiency for datasets with over 200,000 samples.

cs.LG↗

arXiv2026

Variational Learning of Gaussian Process Latent Variable Models through Stochastic Gradient Annealed Importance Sampling

Gaussian Process Latent Variable Models (GPLVMs) have become increasingly popular for unsupervised tasks such as dimensionality reduction and missing data recovery due to their flexibility and non-linear nature. An importance-weighted version of the Bayesian GPLVMs has been proposed to obtain a tighter variational bound. However, this version of the approach is primarily limited to analyzing simple data structures, as the generation of an effective proposal distribution can become quite challenging in high-dimensional spaces or with complex data sets. In this work, we propose an Annealed Importance Sampling (AIS) approach to address these issues. By transforming the posterior into a sequence of intermediate distributions using annealing, we combine the strengths of Sequential Monte Carlo samplers and VI to explore a wider range of posterior distributions and gradually approach the target distribution. We further propose an efficient algorithm by reparameterizing all variables in the evidence lower bound (ELBO). Experimental results on both toy and image datasets demonstrate that our method outperforms state-of-the-art methods in terms of tighter variational bounds, higher log-likelihoods, and more robust convergence.

cs.LG↗

arXiv2026

Diffusion Bridge Variational Inference for Deep Gaussian Processes

Deep Gaussian processes (DGPs) enable expressive hierarchical Bayesian modeling but pose substantial challenges for posterior inference, especially over inducing variables. Denoising diffusion variational inference (DDVI) addresses this by modeling the posterior as a time-reversed diffusion from a simple Gaussian prior. However, DDVI's fixed unconditional starting distribution remains far from the complex true posterior, resulting in inefficient inference trajectories and slow convergence. In this work, we propose Diffusion Bridge Variational Inference (DBVI), a principled extension of DDVI that initiates the reverse diffusion from a learnable, data-dependent initial distribution. This initialization is parameterized via an amortized neural network and progressively adapted using gradients from the ELBO objective, reducing the posterior gap and improving sample efficiency. To enable scalable amortization, we design the network to operate on the inducing inputs, which serve as structured, low-dimensional summaries of the dataset and naturally align with the inducing variables' shape. DBVI retains the mathematical elegance of DDVI, including Girsanov-based ELBOs and reverse-time SDEs,while reinterpreting the prior via a Doob-bridged diffusion process. We derive a tractable training objective under this formulation and implement DBVI for scalable inference in large-scale DGPs. Across regression, classification, and image reconstruction tasks, DBVI consistently outperforms DDVI and other variational baselines in predictive accuracy, convergence speed, and posterior quality.

cs.LG↗

arXiv2025

Fully Bayesian Differential Gaussian Processes through Stochastic Differential Equations

Deep Gaussian process models typically employ discrete hierarchies, but recent advancements in differential Gaussian processes (DiffGPs) have extended these models to infinite depths. However, existing DiffGP approaches often overlook the uncertainty in kernel hyperparameters by treating them as fixed and time-invariant, which degrades the model's predictive performance and neglects the posterior distribution. In this work, we introduce a fully Bayesian framework that models kernel hyperparameters as random variables and utilizes coupled stochastic differential equations (SDEs) to jointly learn their posterior distributions alongside those of inducing points. By incorporating the estimation uncertainty of hyperparameters, our method significantly enhances model flexibility and adaptability to complex dynamic systems. Furthermore, we employ a black-box adaptive SDE solver with a neural network to achieve realistic, time varying posterior approximations, thereby improving the expressiveness of the variational posterior. Comprehensive experimental evaluations demonstrate that our approach outperforms traditional methods in terms of flexibility, accuracy, and other key performance metrics. This work not only provides a robust Bayesian extension to DiffGP models but also validates its effectiveness in handling intricate dynamic behaviors, thereby advancing the applicability of Gaussian process models in diverse real-world scenarios.

cs.LG↗

arXiv2025

Diffusion Secant Alignment for Score-Based Density Ratio Estimation

Estimating density ratios has become increasingly important with the recent rise of score-based and diffusion-inspired methods. However, current tangent-based approaches rely on a high-variance learning objective, which leads to unstable training and costly numerical integration during inference. We propose \textit{Interval-annealed Secant Alignment Density Ratio Estimation (ISA-DRE)}, a score-based framework along diffusion interpolants that replaces the instantaneous tangent with its interval integral, the secant, as the learning target. We show theoretically that the secant is a provably lower variance and smoother target for neural approximation, and also a strictly more general representation that contains the tangent as the infinitesimal limit. To make secant learning feasible, we introduce the \textit{Secant Alignment Identity (SAI)} to enforce self consistency between secant and tangent representations, and \textit{Contraction Interval Annealing (CIA)} to ensure stable convergence. Empirically, this stability-first formulation produces high efficiency and accuracy. ISA-DRE achieves comparable or superior results with fewer function evaluations, demonstrating robustness under large distribution discrepancies and effectively mitigating the density-chasm problem.

stat.ML↗

arXiv2025

Entropy-Informed Weighting Channel Normalizing Flow for Deep Generative Models

Normalizing Flows (NFs) are widely used in deep generative models for their exact likelihood estimation and efficient sampling. However, they require substantial memory since the latent space matches the input dimension. Multi-scale architectures address this by progressively reducing latent dimensions while preserving reversibility. Existing multi-scale architectures use simple, static channel-wise splitting, limiting expressiveness. To improve this, we introduce a regularized, feature-dependent $\mathtt{Shuffle}$ operation and integrate it into vanilla multi-scale architecture. This operation adaptively generates channel-wise weights and shuffles latent variables before splitting them. We observe that such operation guides the variables to evolve in the direction of entropy increase, hence we refer to NFs with the $\mathtt{Shuffle}$ operation as \emph{Entropy-Informed Weighting Channel Normalizing Flow} (EIW-Flow). Extensive experiments on CIFAR-10, CelebA, ImageNet, and LSUN demonstrate that EIW-Flow achieves state-of-the-art density estimation and competitive sample quality for deep generative modeling, with minimal computational overhead.

cs.LG↗

arXiv2025

Gaussian Process Tilted Nonparametric Density Estimation using Fisher Divergence Score Matching

We propose a nonparametric density estimator based on the Gaussian process (GP) and derive three novel closed form learning algorithms based on Fisher divergence (FD) score matching. The density estimator is formed by multiplying a base multivariate normal distribution with an exponentiated GP refinement, and so we refer to it as a GP-tilted nonparametric density. By representing the GP part of the score as a linear function using the random Fourier feature (RFF) approximation, we show that optimization can be solved in closed form for the three FD-based objectives considered. This includes the basic and noise conditional versions of the Fisher divergence, as well as an alternative to noise conditional FD models based on variational inference (VI) that we propose in this paper. For this novel learning approach, we propose an ELBO-like optimization to approximate the posterior distribution, with which we then derive a Fisher variational predictive distribution. The RFF representation of the GP, which is functionally equivalent to a single layer neural network score model with cosine activation, provides a useful linear representation of the GP for which all expectations can be solved. The Gaussian base distribution also helps with tractability of the VI approximation and ensures that our proposed density is well-defined. We demonstrate our three learning algorithms, as well as a MAP baseline algorithm, on several low dimensional density estimation problems. The closed form nature of the learning problem removes the reliance on iterative learning algorithms, making this technique particularly well-suited to big data sets, since only sufficient statistics collected from a single pass through the data is needed.

cs.LG↗

arXiv2025

Stochastic Variational Inference with Tuneable Stochastic Annealing

We exploit the observation that stochastic variational inference (SVI) is a form of annealing and present a modified SVI approach -- applicable to both large and small datasets -- that allows the amount of annealing done by SVI to be tuned. We are motivated by the fact that, in SVI, the larger the batch size the more approximately Gaussian is the noise of the gradient, but the smaller its variance, which reduces the amount of annealing done to escape bad local optimal solutions. We propose a simple method for achieving both goals of having larger variance noise to escape bad local optimal solutions and more data information to obtain more accurate gradient directions. The idea is to set an actual batch size, which may be the size of the data set, and an effective batch size that matches the increased variance of a smaller batch size. The result is an approximation to the maximum entropy stochastic gradient at a desired variance level. We theoretically motivate our ``SVI+'' approach for conjugate exponential family model framework and illustrate its empirical performance for learning the probabilistic matrix factorization collaborative filter (PMF), the Latent Dirichlet Allocation topic model (LDA), and the Gaussian mixture model (GMM).

cs.LG↗

arXiv2025

Dequantified Diffusion-Schr{ö}dinger Bridge for Density Ratio Estimation

Density ratio estimation is fundamental to tasks involving $f$-divergences, yet existing methods often fail under significantly different distributions or inadequately overlapping supports -- the density-chasm and the support-chasm problems. Additionally, prior approaches yield divergent time scores near boundaries, leading to instability. We design $\textbf{D}^3\textbf{RE}$, a unified framework for \textbf{robust}, \textbf{stable} and \textbf{efficient} density ratio estimation. We propose the dequantified diffusion bridge interpolant (DDBI), which expands support coverage and stabilizes time scores via diffusion bridges and Gaussian dequantization. Building on DDBI, the proposed dequantified Schr{ö}dinger bridge interpolant (DSBI) incorporates optimal transport to solve the Schr{ö}dinger bridge problem, enhancing accuracy and efficiency. Our method offers uniform approximation and bounded time scores in theory, and outperforms baselines empirically in mutual information and density estimation tasks.

cs.LG↗

arXiv2025

Tabular Diffusion Counterfactual Explanations

Counterfactual explanations methods provide an important tool in the field of {interpretable machine learning}. Recent advances in this direction have focused on diffusion models to explain a deep classifier. However, these techniques have predominantly focused on problems in computer vision. In this paper, we focus on tabular data typical in finance and the social sciences and propose a novel guided reverse process for categorical features based on an approximation to the Gumbel-softmax distribution. Furthermore, we study the effect of the temperature $τ$ and derive a theoretical bound between the Gumbel-softmax distribution and our proposed approximated distribution. We perform experiments on several large-scale credit lending and other tabular datasets, assessing their performance in terms of the quantitative measures of interpretability, diversity, instability, and validity. These results indicate that our approach outperforms popular baseline methods, producing robust and realistic counterfactual explanations.

cs.LG↗

arXiv2025

An Explainable Gaussian Process Auto-encoder for Tabular Data

Explainable machine learning has attracted much interest in the community where the stakes are high. Counterfactual explanations methods have become an important tool in explaining a black-box model. The recent advances have leveraged the power of generative models such as an autoencoder. In this paper, we propose a novel method using a Gaussian process to construct the auto-encoder architecture for generating counterfactual samples. The resulting model requires fewer learnable parameters and thus is less prone to overfitting. We also introduce a novel density estimator that allows for searching for in-distribution samples. Furthermore, we introduce an algorithm for selecting the optimal regularization rate on density estimator while searching for counterfactuals. We experiment with our method in several large-scale tabular datasets and compare with other auto-encoder-based methods. The results show that our method is capable of generating diversified and in-distribution counterfactual samples.

cs.LG↗