Machine Learning (Statistics)
Latent Score-Based Bayesian Cramér-Rao Bound Estimation for High-Dimensional Imaging Systems
Evan Scope Crafts, Thomas Wynn, Seonyeong Park et al. (+2 more)
We propose a data-driven framework for estimating the
Bayesian Cramér-Rao bound (CRB) in high-dimensional imaging systems with complex, analytically intractable priors. Direct CRB computation is challenging in this setting due to the need to model the prior score and to form and invert the
Bayesian Fisher information
matrix in very high dimensions. To address these issues, we first reformulate the inverse problem in the latent space of a pre-trained variational autoencoder, thereby dramatically reducing the dimensionality of the bound estimation problem while preserving the spatial structure of the images. The
Bayesian CRB is formed in this latent space and mapped back to the native parameter space using a change-of-variables formula. Second, to learn the latent prior score, we introduce a new sliced score matching objective defined in a Bochner space endowed with an $H^1(\Omega)$ Sobolev norm in space. This "Bochner-space sliced score matching" objective is consistent with standard sliced score matching, but penalizes errors in the spatial gradients of the score, suppressing high-frequency artifacts that otherwise contaminate the resulting CRB estimates. We validate the approach on a stylized quantitative photoacoustic computed
tomography (qPACT) breast imaging problem with over one million unknown parameters, using a foundation-model autoencoder derived from Stable
Diffusion. The proposed method yields stable, artifact-free
Bayesian CRB estimates that reflect the highly non-Gaussian structure of the learned prior and reveal the substantial impact of the prior on the relative performance of competing qPACT design schemes.
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All authors Evan Scope Crafts, Thomas Wynn, Seonyeong Park, Mark Anastasio, Umberto Villa
Machine Learning (Statistics) · Cross-listed from cs.LG
Evolving LLM-Generated Features for Interpretable Classification
Jack Butler, Zainab Afolabi and Nikita Kozodoi
Large
language models (LLMs) are increasingly used as classifiers, yet they operate as opaque systems whose decisions are difficult to interpret, which complicates their use in regulated domains such as credit scoring or medical diagnosis. We propose an evolutionary framework that iteratively discovers natural
language feature definitions (rubrics) for interpretable classification. An LLM generates candidate binary features, evaluates each sample against them, and the resulting vectors can be used to train a transparent classifier such as logistic regression. The feature set evolves over multiple iterations guided by classification errors, per-class activation rates, and feature ablation scores. We evaluate across three
benchmarks, including a credit risk
dataset representative of regulated domains, comparing single-shot LLM rubrics, evolved rubrics, and direct zero-shot LLM classification. Evolved features improve over single-shot rubrics by +2.9 pp on average and outperform zero-shot LLM classification on two of three tasks, while providing fully auditable decision logic. On the credit risk task, the zero-shot LLM performs at chance (50.7%) with a strong bias toward a single class, whereas evolved features achieve balanced, interpretable predictions. Crucially, this failure is invisible in aggregate accuracy and surfaces only under per-class auditing. Analysis reveals that
evolution is most effective when label boundaries cannot be inferred from category names alone or when the LLM lacks reliable domain-specific
reasoning.
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Machine Learning (Statistics) · Cross-listed from stat.ME
Co-Supervised Tree Synthesis for Interpretable Subgroup Identification and Honest Treatment Effect Inference in Randomized Trials
Evgenii Kuriabov, Zhaoxue Tong and Jia Li
Identifying patient subgroups with heterogeneous treatment effects is central to precision medicine, yet existing approaches face a tension. Black-box methods estimate individualized effects well but yield no interpretable subgroups, while tree-based methods produce explicit partitions but are unstable and less accurate in moderate-sample trials. We propose CausalSynthTree, a co-supervised method in which black-box causal
estimators guide construction of an interpretable tree. It partitions the
covariate space into
cells, fits
cell-wise conditional average treatment effect models from both observed data and synthetic data labeled by black-box causal teachers, and synthesizes them into a tree through a treatment-effect disparity criterion. Each leaf carries a sparse linear model, so the tree path defines a subgroup and the leaf model shows which
covariates modify the effect. Honest inference for leaf-wise effects remains valid despite co-supervised augmentation and data-driven subgroup selection. In simulations it closes much of the gap between the two families. From moderate sample sizes onward it is more accurate than the black-box learners whenever the effect is linear or has a single threshold, and trails them only on a finer partition than the tree it grows. It controls spurious splits and attains nominal coverage throughout. In the ACTG175 HIV trial, where standard interaction tests detect no effect modification, the method reports no subgroups while the competing tree methods report several. In an adjuvant colon cancer trial it reports a borderline
covariate in part of the resamples, together with a within-region age gradient that is consistent with an independent test.
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Machine Learning (Statistics)
Probability flow ODEs in score-based and reflected diffusion models
Rama CONT
Probability-flow ordinary differential equations (PF-ODEs) are widely used as deterministic samplers for score-based
diffusion models. Their usual justification is that the Fokker–Planck equation of a
diffusion can be rewritten as a continuity equation driven by the score function of the forward
diffusion. This identity does not, however, guarantee that the resulting velocity field generates a well-posed flow. We provide theoretical insights into the design of such deterministic samplers for generative models based on
diffusions and reflected
diffusions. We identify sufficient conditions for a regular Lagrangian PF-ODE flow to exist; reverse sampling and invertibility require two-sided divergence control. For learned scores, sampler stability is controlled by an unweighted velocity error, exposing a mismatch with density-weighted score matching and motivating architectural control of Jacobians, divergence, growth, and compression. Under the
manifold hypothesis, positive-time regularization justifies an early-stopped PF-ODE while constants deteriorate near the data endpoint; an explicit sphere example shows that the exact deterministic flow becomes singular as the noise level vanishes even though the
diffusion marginals remain well defined. These theoretical insights translate into concrete design principles for stable, invertible, and constraint-preserving
diffusion samplers. We illustrate the practical relevance of these design principles using controlled numerical experiments.
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Machine Learning (Statistics)
Targeted Active Learning for Preference-Based Treatment Effects on Multivariate Outcomes
Lola Giordani, Mathieu Even, Chloé Geoffroy et al. (+3 more)
Treatment efficacy is traditionally demonstrated on the basis of a single primary outcome. However, clinical decision-making usually requires consideration of multiple outcomes, balancing expected benefits against potential risks. The relative value assigned to these outcomes varies substantially from one patient to another. Given a preference rule over outcome profiles, treatment effects and optimal policies can be defined and estimated. Such a rule is rarely available in practice: it must itself be estimated from pairwise comparisons of outcome profiles, which are costly to collect from clinical experts. We propose an active learning framework that selects which comparisons to query. Standard criteria maximize the information gained on the preference rule itself. We instead target the quantities of interest, and select the query that most reduces uncertainty on the treatment effect and on the optimal policy induced by the learned rule. Under a Gaussian process model of the preference rule, we derive a closed-form approximation of this criterion. On semi-synthetic data built from a Parkinson's disease cohort with 13 clinical outcomes, our criterion achieves lower treatment effect estimation error and lower policy regret than existing criteria at equal query budget.
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All authors Lola Giordani, Mathieu Even, Chloé Geoffroy, Jean-Christophe Corvol, Raphaël Porcher, Federico Pavone
Machine Learning (Statistics) · Cross-listed from cs.LG
Simulation-Free Learning of Population Dynamics with Wasserstein Lagrangian Residuals
Fedor Sergeev, Markus Heinonen, Daniel Waxman et al. (+4 more)
The dynamics of
cells, organisms, and fluids are often modeled as probability distributions evolving over time. Reconstructing and extrapolating this
evolution from unpaired snapshots requires assumptions about the underlying process. Wasserstein gradient flows are a common choice, but they cannot describe conservative or periodic dynamics. Lagrangian mechanics in Wasserstein space covers both, but existing methods for learning it are simulation-based: they run a numerical solver at every training step, which makes training expensive. We propose Double-Stitch, a simulation-free method that learns these mechanics by penalizing the residual of the equation of motion along a learned population path. We derive this equation from a Clebsch variational principle that does not require gradient velocities, and show that the residual vanishes exactly when the equation holds. We test Double-Stitch on synthetic, single-
cell and ocean
vortex datasets and find that it matches or outperforms gradient-flow methods and simulation-based WLM on most tasks, while training $4$-$14$ times faster than WLM. We provide a JAX implementation of Double-Stitch at https://github.com/BasisResearch/stitching.
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All authors Fedor Sergeev, Markus Heinonen, Daniel Waxman, Tim Cooijmans, Ricardo Baptista, Dmitry Batenkov, Eli Bingham
Machine Learning (Statistics) · Cross-listed from cs.LG
Planning to Learn
Ian Osband
Policy-gradient methods are central to modern reinforcement learning, including LLM post-training. When they struggle, the usual suspects are exploration, credit assignment and action-sampling noise. Classification has none of them. A classifier is a policy whose expected reward, its expected accuracy, is the probability it assigns to the correct label, and because that label is known, the policy gradient is exact and smooth. Yet exact policy gradient loses to cross-
entropy, even on expected accuracy. The exact gradient is myopic: it values an update only by what it buys now, but each update also sets where the next one starts, so an update's value depends on how much learning remains. Viewed this way, cross-
entropy is patient accuracy, the total error an example would pay if its log-odds rose at unit speed forever, while exact policy gradient is the zero-horizon limit. Truncating this total at the learning that remains yields the horizon loss, a one-line change that moves from cross-
entropy toward exact policy gradient as training runs out. In a simple allocation model, it provably escapes the trap that catches each endpoint. On MNIST and on ImageNet with ResNet-50, ResNet-101 and ViT-S/16, the horizon loss improves top-1 accuracy over cross-
entropy at a flat learning rate, and the gain grows with label noise.
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Machine Learning (Statistics)
Amortized Structured Stochastic Variational Inference for Gaussian Process Latent Variable Models
Maksym Tretiakov, Sarah Filippi, Vincent Fortuin et al. (+3 more)
Many machine learning methods aim to approximate the lower-dimensional
manifold on which the data lives. A desirable feature of such methods is that they should capture the epistemic uncertainty of this learned
manifold. One model that achieves this is the Gaussian Process Latent Variable Model, in which a Gaussian Process (GP) mapping from the latent space provides an estimate of the uncertainty of the
manifold. However, the effectiveness of this uncertainty estimation is limited by the mean-field variational approximation between the GP inducing points and the latent variables. In this work, we apply Amortized Structured
Stochastic Variational Inference to allow the variational posterior for the latent space to be conditionally dependent on the value of the inducing points. We demonstrate that this more flexible variational posterior improves several metrics relating to the reconstruction of points on the data
manifold.
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All authors Maksym Tretiakov, Sarah Filippi, Vincent Fortuin, Ruth Misener, Ruby Sedgwick, James Odgers
Machine Learning (Statistics) · Cross-listed from cs.LG
When May a Bandit Leave Its Anchor? E-Process-Authorized Thompson Sampling under Non-stationarity
Mayand Gulati, Kerong Wang and WeiChen Au
Stationarity rewards
memory, but after a change the same history can mislead. We ask when forgetting should be permitted. E-process-authorized Thompson sampling (e-ATS) gives each arm full-history and discounted Beta states. An anytime-valid e-process first authorizes the discounted state, then a reversible relevance score controls its influence. Before authorization, e-ATS exactly follows optimistic Thompson sampling (OTS). Under a Beta-Bernoulli prior-predictive stationary model, e-ATS's probability of ever departing from OTS is at most the chosen $\alpha_E$, without fitted thresholds. Relative to e-ATS, removing authorization increased mean normalized dynamic pseudo-regret by $38.4\%$ on the registered suite but reduced it by $7.5\%$ on the literature-derived replay suite. Therefore, evidence controls when adaptation begins, not whether it always helps.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Broken scale symmetries in undercomplete linear autoencoders
Farhad Pashakhanloo and Jacob A. Zavatone-Veth
Neural network loss landscapes have many
symmetries, which are preserved by gradient flow but broken by finite-stepsize
stochastic gradient descent (SGD). A canonical example of such a
symmetry is scale in homogeneous networks: one can scale up the parameters in one layer and down in the next without changing the network output. Previous work has documented cases in which SGD breaks this
symmetry in favor of balancing gradient noise or minimizing fluctuations. Here, we show that the solution geometry of undercomplete linear autoencoders instead selects a preferred sign for scale drift: on the PCA solution
manifold, SGD favors large decoder weights. This directed scale drift occurs on a slow timescale, and its dynamics admit an analytically-tractable effective description. However, it cannot continue indefinitely: increasing scale eventually drives the dynamics towards a finite-stepsize stability boundary. The resulting solutions are sharper than a balanced baseline in the sense of the maximum
eigenvalue of the loss Hessian, but different sharpness measures can move in opposing directions. Thus, undercomplete autoencoders give a concrete illustration of how loss geometry can convert residual gradient noise into directed motion along a
manifold of functionally-equivalent solutions.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Below what training size do deep tabular generators stop beating trivial baselines? A preregistered benchmark on a size ladder of clinical and standard datasets
Shivam Shrivastava
Deep tabular generative models are benchmarked on
datasets with tens of thousands of rows; clinical
datasets have hundreds. We preregistered and ran a size-ladder
benchmark to find where the two regimes diverge: 8 public
datasets subsampled from 200 to 20,000 training rows, seven generators (independent marginals, Gaussian copula, SMOTE, unconditional SMOTE, CTGAN, TVAE, TabDDPM) with a fixed 20-trial tuning budget and 5 evaluation seeds, plus 4 natively small clinical
datasets at true size, for 2,220 committed runs in total. The primary metric is the AUROC of fixed classifiers trained on synthetic and tested on real data. In 23 of 24 (
dataset, deep model) pairs no deep model ever beats the best trivial baseline by more than seed noise, at any training size we measured. The best baseline wins 40 of 49 (
dataset, size)
cells. Our preregistered prediction that the deep models' ranking would be unstable at small sizes is falsified: mean Kendall tau between adjacent rungs below 5,000 rows is 0.806, above our 0.8 threshold, and stability is highest at the smallest sizes rather than lowest. One caveat bounds all of this: in 81% of
cells the gap between the top two methods is smaller than the variation between seeds. Finally, method rankings on natively small clinical
datasets agree only moderately with rankings on subsampled large ones (mean tau 0.57 to 0.64), which questions whether a subsampled large
dataset can stand in for a small one. All 2,220 result files, the preregistration and its hash, and the code that regenerates every figure and number from those files are public.
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Machine Learning (Statistics)
AREX: Affine-Residual Exponential Integrator for Few-Step Sampling in Flow Matching
Shizheng Lin, Soon Hoe Lim and N. Benjamin Erichson
We introduce AREX, a training-free sampler for pretrained flow matching models that uses the target mean and covariance to capture an analytically tractable part of the sampling dynamics. We show that the velocity field of the moment-matched Gaussian target is the $L^2$-optimal affine approximation to the marginal velocity field. This motivates decomposition of the learned dynamics into an affine component over the whole sampling path, determined by the first two target moments, and a neural residual term. AREX keeps the affine component and integrates it using an explicit
matrix-valued propagator. In turn, we only require to integrate over the residual term. This differs from scalar exponential integrators, which analytically handle only isotropic linear dynamics. Across image and text-to-image generation tasks, AREX consistently improves sample fidelity in the few-step sampling regime without retraining the underlying model.
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Machine Learning (Statistics)
When Is Accuracy Evidence? A Unified Theory of Generalisation, Validation, and Information Fusion
JM Gorriz
K-fold cross-validation (CV) is widely used as evidence of out-of-sample performance, although folds are neither independent experiments nor equally informative under heterogeneous data. Cross Upper-Bound Validation (CUBV) replaces point-wise CV accuracy by conservative upper bounds on true risk. Here we generalise CUBV through a single exponential framework in which the moment-generating function of the generalisation gap is controlled by a cumulant envelope gamma(lambda). This yields a family of risk bounds covering Hoeffding-, Bernstein-, dependency-aware, PAC-
Bayesian, and heterogeneous source-fusion settings. For K-fold CV, dependence between fold-wise gaps is modelled through a joint sub-Gaussian proxy
matrix. Under equicorrelation, this gives an effective number of folds, Keff = K/[1+(K-1)rho], showing that increasing K does not necessarily increase statistical evidence when folds are strongly dependent. The framework is also extended to posterior distributions over predictors and weighted multi-source fusion, where weights are selected by minimising an upper bound on future risk rather than empirical error alone. Experiments with trained linear classifiers on heterogeneous
multimodal Gaussian mixtures compare K-fold CV with full-sample resubstitution plus risk correction. Bounds are evaluated by coverage and tightness. In low-dimensional small-sample settings, K-fold partitioning can increase uncertainty because individual folds under-represent minority modes, while corrected resubstitution can remain valid and tighter; this effect disappears as sample size increases. Overall, gamma-CUBV separates observed performance, uncertainty, dependence, model complexity, and confidence into explicit terms, providing a unified route from CV scores to risk statements and a principled validation criterion for heterogeneous small-sample applications such as neuroimaging.
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Machine Learning (Statistics)
Iterating Consistency Models: Stability, Error Bounds and Noise Schedules
Alessio Spagnoletti, Abdul-Lateef Haji-Ali, Andrés Almansa et al. (+3 more)
Consistency models (CMs) have become a leading approach for generating high-quality samples in few steps. However, adding steps can improve or degrade sample quality in ways that are highly sensitive to the schedule and that existing theory does not fully explain. To provide accuracy guarantees and guide CM sampler design, we analyze multistep CM sampling as a composition of noising and approximate denoising operators. Under explicit, verifiable stability assumptions, we derive a non-asymptotic error bound that separates contraction of the initialization error from accumulation of approximation error. The bound assigns distinct roles to the schedule: large early noise levels drive contraction, while small late noise levels control the residual bias. As a corollary, we obtain explicit constants for strongly log-concave and semi-log-concave targets. We further establish a complementary guarantee whose assumptions, one-step accuracy and stability, can be estimated for a given trained model. Experiments show that the contraction and approximation profiles entering our bounds can be reliably measured and closely match the predicted functional forms. Together, these results provide a meaningful convergence theory for multi-step CMs and a practical route to sampler design.
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All authors Alessio Spagnoletti, Abdul-Lateef Haji-Ali, Andrés Almansa, Alain Oliviero Durmus, Eric Moulines, Marcelo Pereyra
Machine Learning (Statistics)
DAWIS: Data Assimilation with Windowed Inverse Sampling via Multitask Interpolants
Erik Wikingsson, Martin Andrae, Tomas Landelius et al. (+1 more)
Flow- and
diffusion-based generative models have recently emerged as flexible and highly efficient forecasting models for dynamical systems. When combined with inference-time guidance, they offer a promising route to high-dimensional non-Gaussian data assimilation (DA), the problem of combining forecasts with observations to estimate latent system states. Existing filters, however, condition on a fixed history and assimilate only the most recent observation, leaving them unable to revise past states when new observations arrive. Estimates then stay tethered to a history that later observations may contradict, and errors accumulate over the assimilation run. To this end, we introduce **DAWIS**, a unified DA method covering filtering, fixed-lag smoothing, and block smoothing within a single framework. DAWIS replaces the single flow time of a state-level prior with a multitask
stochastic interpolant over a window of consecutive states, assigning a separate flow time to each. An assimilation cycle inverts the window to a vector of per-state turning points and regenerates it under observation guidance, with the turning points controlling how strongly each state is held fixed, revised, or generated from scratch. The same construction can also absorb the forecast into the assimilation cycle, removing the need for a separate forecasting model. Experiments on challenging nonlinear systems show that DAWIS improves on both filtering and smoothing baselines under sparse, noisy, and nonlinear observations. The code for DAWIS is available at https://github.com/Erik-Wikingsson/DAWIS
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All authors Erik Wikingsson, Martin Andrae, Tomas Landelius, Fredrik Lindsten
Machine Learning (Statistics)
SDECast: Probabilistic Weather Forecasting in Continuous Time with Neural SDEs
Maria Marchenko, Martin Andrae, Fredrik Lindsten et al. (+1 more)
Existing machine learning weather forecasting models typically generate forecasts through autoregressive rollouts at a fixed temporal resolution. While highly efficient for long-range prediction, this formulation can suffer from severe error accumulation when used with shorter time steps and does not explicitly encode the locality and temporal continuity of atmospheric dynamics. To address these limitations, we introduce **SDECast**, a Neural
Stochastic Differential Equation (SDE) framework for continuous-time probabilistic weather forecasting. SDECast extends SDE Matching to learn
stochastic dynamics directly in physical space, without requiring repeated SDE simulation during training. On a simulated geophysical flow, we show that SDECast recovers meaningful drift dynamics and faithfully reproduces the underlying continuous-time behavior. We then demonstrate its scalability to global weather forecasting at hourly resolution, where SDECast produces skillful probabilistic forecasts for lead times of up to five days.
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All authors Maria Marchenko, Martin Andrae, Fredrik Lindsten, Christian A. Naesseth
Machine Learning (Statistics) · Cross-listed from math.OC
Near-Optimal Convex Optimization with Lazy Second-Order Oracles
Xinliang Zhang, Lesi Chen, Chengchang Liu et al. (+1 more)
This paper studies the complexity of convex optimization using lazy second-order oracles (Doikov, Chayti, and Jaggi, ICML 2023), where an
algorithm queries gradients every iteration and Hessians once per $m$ iterations. Under this setting, we show a lower bound of $\Omega(m+ m^{1/7} \epsilon^{-2/7})$ on the number of total iterations to find an $\epsilon$-solution using a novel block zero-chain construction. Then we propose a novel method that achieves a new upper bound of $\tilde{\mathcal{O}}(m+ m^{1/7} \epsilon^{-2/7})$, which significantly improves the prior one (Chen, Liu, Luo, and Zhang, COLT 2026) of $\tilde{\mathcal{O}}(m+ m^{13/21} \epsilon^{-2/7})$ and is tight up to logarithmic factors.
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All authors Xinliang Zhang, Lesi Chen, Chengchang Liu, Jingzhao Zhang
Machine Learning (Statistics)
Predictively Oriented Gaussian Process Posteriors
Callum Lau, Jeremias Knoblauch and Louis Sharrock
Gaussian Processes (GPs) are a powerful tool for modelling and quantifying uncertainty in functional relationships. However, they require practitioners to make a number of design decisions, such as the choice of the kernel and the observation model. Suboptimal choices can produce misspecified models that do not capture the underlying data generating process. We introduce Predictively Oriented Gaussian Processes (PrO-GPs), which treat predictive uncertainty as the primary inferential target and provide a robust alternative to standard GPs. Although direct computation of a PrO posterior for nonparametric models is intractable, we derive a reduced formulation and practical sampling scheme for efficient computation. Through synthetic and real data experiments, we show that PrO-GPs produce better calibrated predictive distributions under model misspecification compared to standard GP approaches.
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Machine Learning (Statistics)
Invariance of Clustering Operations in Causal Effect Identification
Jani Nykänen, Otto Tabell, Santtu Tikka et al. (+1 more)
Clustering variables in causal graphs reduces the size of the graph and simplifies causal inference. However, arbitrary clustering can alter crucial causal relations among variables and lead to erroneous conclusions. While the identifiability of a causal effect in the clustered graph implies the identifiability in the original graph under mild conditions, nonidentifiability in clustered graph does not imply nonidentifiability in the original graph without further assumptions. When both identifiability and nonidentifiability are preserved, the clustering operation is called identification invariant. We present a broad class of clustering operations that are identification invariant based on conditions related to the c-components of the original graph. Finally, we demonstrate use of the results in practical settings.
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All authors Jani Nykänen, Otto Tabell, Santtu Tikka, Juha Karvanen
Machine Learning (Statistics) · Cross-listed from q-fin.CP
Shapley-based Structural Analysis of Neural Calibration for Stochastic Volatility Models
Shaïn Afzali, Serena Della Corte and Antonis Papapantoleon
Neural network-based approaches have emerged as efficient alternatives to traditional optimization-based procedures for the calibration of
stochastic volatility models. However, existing work has focused primarily on predictive accuracy, with comparatively little
attention devoted to understanding the structure of the learned inverse calibration mappings. In this work, we analyze neural calibration mappings for the Heston and rough Heston models across multilayer perceptron, highway, and softmax-parametrized highway architectures, using complementary Shapley-based methods from explainable AI. Specifically, we consider SHAP and $\nu$SHAP explanations, which capture distinct, complementary notions of feature relevance, corresponding to sensitivity and sufficiency of feature subsets, respectively. Short maturities and smile wings consistently dominate parameter inference, and the dominant attribution structure remains qualitatively stable across architectures despite differences in predictive accuracy and parameter count. Parameter-specific differences between SHAP and $\nu$SHAP further reveal how distinct regions of the implied
volatility surface contribute to parameter recovery and expose substantial redundancy in the calibration input. Building on this redundancy, we show that $\nu$SHAP explanations can guide a significant reduction in input dimensionality for the rough Heston model while matching calibration accuracy relative to the full implied
volatility surface. These findings demonstrate that complementary Shapley-based methods provide structural insight into learned inverse calibration mappings beyond predictive error metrics, and offer a practical route to feature selection in neural calibration problems.
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Machine Learning (Statistics) · Cross-listed from cs.SE
GTDD: Generative Test-Driven Development for AI Coding Agents with Adversarial Testing
Masahiro Kato
Test-driven development gives AI coding
agents executable requirements for implementing software. Because these
agents can adapt their implementations to the examples they observe, passing a predetermined collection of tests can leave substantial parts of the intended behavior unimplemented. We propose Generative Test-Driven Development (GTDD), a formulation of test-driven development in which a separate testing
agent generates new inputs after each candidate implementation is fixed, using a human-specified behavioral contract and the feedback from earlier rounds. A trusted evaluator checks these inputs, returns reduced counterexamples to the coding
agent, and saves them for regression testing, so development continually confronts failures beyond the initial examples. We characterize the evidence that this process provides through a finite-population analysis of false acceptance under adaptive candidate selection. The resulting bounds quantify how test visibility and repeated feedback affect acceptance, and show that fresh random audits after candidate commitment control false acceptance across development rounds. In a paired experiment on a stateful key-value store, both policies that regenerated tests during development ended with lower mean failure rates than the policy whose tests were generated once by the same
language model, and giving the tester the candidate's source produced no detectable additional improvement. Further conditions requesting equal numbers of tests did not isolate any single feature of the policies as the source of this difference. GTDD combines this adaptive development feedback with established regression tests and an independent acceptance rule.
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Machine Learning (Statistics) · Cross-listed from econ.EM
Cross-Fitting Under Nonregularity: Normality and Inference via Locality
Bruno Fava
Cross-fitting is routine in much of applied research. While conventional confidence intervals that ignore cross-fold dependence are asymptotically valid in several settings, they undercover in many applications that share a common form of nonregularity: from the classic cross-validation problem of testing whether a fitted model outperforms another, to testing for heterogeneous treatment effects with machine learning, to estimating the value of a potentially non-unique optimal treatment regime. Exploiting a new locality condition, I show that a large class of cross-fitting
estimators still satisfies a central limit
theorem despite the nonregularity, but with an asymptotic variance that must be adjusted for the cross-fold correlation. Then, I propose a method for estimating this correlation and construct new confidence intervals that attain asymptotically nominal coverage. Finally, I show that the proposed confidence intervals attain approximately nominal coverage in a simulation study with random forests and neural networks.
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Machine Learning (Statistics) · Cross-listed from stat.ME
A Residual Tree Gaussian Process Modeling Framework for High-Dimensional Data
Pulong Ma and Li Ma
With the advance of measurement technologies and increasing computing power, large spatial data with heterogeneous structures are often collected over high-dimensional domains. Existing Gaussian process (GP) models and computational strategies are often inadequate for analyzing such
datasets in multi-dimensional domains. To address these challenges, we develop a
Bayesian residual tree GP methodology called ResTGP for large spatial data with potentially heterogeneous structures in multi-dimensional domains. The key idea is to decompose a Gaussian process at a cascade of resolutions along a dyadic tree through iteratively computing predictive and residual processes so that the residual process on each tree node, both interior and leaf, becomes sufficient for the finer-level dependency within that node. This allows characterization of the underlying covariance structure in a flexible, multi-scale manner while achieving divide-and-conquer on the data domain, which leads to computational efficiency. To allow efficient tree inference, we introduce a computational strategy for
Bayesian inference based on recursive message passing, which scales linearly with the sample size given the tree. This paper also proves posterior consistency of the model for estimating continuous functions in a nonparametric regression framework. Extensive numerical examples and the storm surge application confirm the advantages of the proposed method.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Muon Learns Facts Better: Understanding the Role of Spectral Orthogonalization
Xuheng Li, Qiwei Di, Yuan Cao et al. (+1 more)
The
Muon optimizer applies spectral orthogonalization to
matrix-valued updates and has shown strong performance in large-scale neural network training, yet the mechanisms of this transformation in feature learning remain poorly understood. In this work, we investigate this question through a tractable factual-recall model, where a fact maps each subject-relation pair to an answer, and a linear
transformer learns the subject- and relation-dependent information required to recover this mapping. The
transformer is optimized with gradient flow (GF), spectral GF, or Sign GF, which are continuous-time limits of gradient descent,
Muon, and Adam, respectively. Prior studies (Nichani et al., 2025) have shown that when the number of subjects exceeds the number of relations, GF learns relation-dependent information before subject-dependent information, producing a feature-separation phase during training. We characterize this separation with the learning times when the subject- and relation-dependent components of the prediction reach a target accuracy. With $S$ subjects and $R$ relations, GF has a learning-time ratio of $\widetilde{\Theta}(\sqrt{S/R})$, whereas Spectral GF reduces this ratio to $\widetilde{\Theta}(1)$. In addition, for fixed $S$ and $R$, the subject- and relation-dependent errors decay as $1/(T\log T)$ in training time $T$ under GF, but as $\exp(-\mathrm{poly}(T))$ under spectral GF. Finally, we show that GF and spectral GF are equivariant under orthogonal transformations of the
token embeddings, whereas Sign GF is not: Different orthonormal
embeddings can potentially produce no feature separation, a large feature-separation phase, or even a reversed learning order. These results provide a mechanistic view of how spectral orthogonalization can fundamentally reshape feature-learning dynamics.
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All authors Xuheng Li, Qiwei Di, Yuan Cao, Quanquan Gu
Machine Learning (Statistics)
Hold-Out Scoring for Efficient Gaussian DAG Learning
Donguk Shin, Byeongguk Kang, Inseol Lee et al. (+1 more)
High-dimensional Gaussian DAG learning faces a statistical-computational gap: methods with sharp sample complexity rely on computationally expensive subset search and a supplied indegree bound, whereas
polynomial-time alternatives have less favorable sample complexity. We introduce HOST, an efficient DAG learning
algorithm that replaces subset search with nodewise hold-out scoring and convex regression, without requiring a supplied indegree bound. Our key insight is that recovering a correct ordering does not require uniformly small estimation errors in ordering scores but only one-sided control of those errors. In the ordering step, HOST exploits the fact that score estimation using hold-out samples inflates ordering scores in expectation, which is the favorable direction for candidates that should not yet be selected. Given the ordering, HOST recovers parents by recursively removing indirect effects from total effects between two nodes. Under suitable conditions, HOST exactly recovers a $p$-node DAG of maximum indegree $d$ with sample complexity of order $d\log p$ in
polynomial time. Experiments show that HOST achieves competitive graph recovery while exhibiting favorable runtime scaling.
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All authors Donguk Shin, Byeongguk Kang, Inseol Lee, Gunwoong Park
Machine Learning (Statistics) · Cross-listed from cs.LG
Nearly Optimal Fixed-Confidence Best-Arm Identification with 1-Bit Feedback
Khang Luong, Dinh Thai Son, Hoang Ta et al. (+2 more)
We study fixed-confidence best-arm identification under strict 1-bit feedback constraints. At each round, the learner selects an arm and a query set, and receives only a single bit indicating whether the sampled reward belongs to that set. We consider a distribution-free finite-variance setting with arm-wise localization, where direct empirical mean estimation is no longer available and clipping becomes unavoidable. We first formulate a time-uniform 1-bit mean-estimation primitive based on randomized threshold queries and a clipped tail-integral identity. We then embed this primitive into candidate-challenger best-arm identification
algorithms. A fixed-clipping
algorithm gives a simple anytime $(\epsilon,\delta)$-PAC guarantee, while a phased adaptive-clipping
algorithm matches the clipping level to the current resolution and yields a gap-adaptive sample complexity. We also prove a $K$-arm worst-case information-theoretic lower bound showing that the logarithmic penalty caused by finite-variance 1-bit feedback is intrinsic. This bound matches the leading dependence of the phased
algorithm up to lower-order $\log\log$ factors.
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All authors Khang Luong, Dinh Thai Son, Hoang Ta, Hung The Tran, Tuan Quang Dam
Machine Learning (Statistics) · Cross-listed from cs.LG
Differential Privacy of Gradient Descent on Perturbed Objectives
Austin Watkins and Raman Arora
Objective perturbation adds a random linear term to a regularized empirical risk and releases the exact perturbed minimizer. We study the finite computation obtained by releasing the $N$-th iterate of deterministic gradient descent on $w\mapsto F(w;S)+\langle z,w\rangle$, where $z\sim\mathcal N(0,\sigma^2I_d)$ is drawn once before optimization. For strongly convex and smooth objectives with Lipschitz Hessian, we prove an explicit condition under which the map $z\mapsto w_N$ is a $C^1$-diffeomorphism on the bounded domains used in the
privacy argument, with a quantitative lower bound on the smallest singular value of its Jacobian. This permits a direct change-of-variables analysis of the finite iterate. For generalized linear models, the resulting
privacy-profile bound has no explicit ambient-dimension factor once the iteration condition holds, and its finite-iteration correction decreases geometrically. By letting the free truncation parameter grow slowly with $N$, we recover the corresponding exact-minimizer certificate in the limit. We also bound the expected excess empirical risk by $d\sigma^2/(2\mu)$ plus a geometrically decreasing optimization term, and transfer the result to population risk without an additional multiplicative condition-number factor in the leading statistical terms.
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Machine Learning (Statistics)
Generalization Bounds for Flow-matching Generative Models for Intrinsically Low-dimensional Data
Saptarshi Chakraborty, Quentin Berthet and Peter L. Bartlett
Despite the remarkable empirical success of flow-matching models, their statistical generalization guarantees remain underdeveloped. Existing analyses often impose restrictive assumptions on the estimated velocity field and yield convergence rates that fail to reflect the intrinsic low-dimensional structure common in real data, such as natural images and molecular geometries. In this work, we study the statistical generalization of flow-matching models for learning an unknown distribution $P_{\mathrm{data}}$ from finitely many samples. We derive finite-sample error bounds on the learned generative distribution, measured in the Wasserstein-$p$ distance, for all $p\geq 1$. Specifically, given $n$ i.i.d. samples from $P_{\mathrm{data}}$, we show that, for every $d>d_p^\ast(P_{\mathrm{data}})$ and appropriately chosen network architectures and hyperparameters, the learned distribution $\widehat{P}^{\mathrm{FM}}$ satisfies $ \mathbb{W}_p(\widehat{P}^{\mathrm{FM}},P_{\mathrm{data}}) \lesssim n^{-1/d}+n^{-1/(2p)}\bigl(\log(1/\xi)\bigr)^{1/(2p)}$ with probability at least $1-\xi$, where $d_p^\ast(P_{\mathrm{data}})$ denotes the Wasserstein-$p$ dimension of the target measure. Our results demonstrate that flow matching naturally adapts to the intrinsic geometry of data and mitigates the curse of dimensionality, as the convergence exponent depends on the intrinsic rather than ambient dimension. These guarantees remain meaningful in high-dimensional regimes and provide a theoretical explanation for the empirical success of flow matching on structured data distributions under substantially more relaxed assumptions than those in existing analyses.
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