Machine Learning (Statistics)
ENCORE: Exact Non-equilibrium COntrol with Replica Exchange for Diffusion Generation
Jiahao Yu, Saifuddin Syed, José Miguel Hernández-Lobato et al. (+1 more)
Inference-time control steers a pretrained generative model towards a target distribution without retraining. We study tilted targets $\pi_0\propto G_0\,p_0$, where $p_0$ is the sampler output distribution and $G_0$ is an evaluable reweighting function. Existing approaches rely on sequential annealing with sequential Monte Carlo (SMC) or parallel annealing with replica exchange (RE). Sequential control is exact but needs large particle populations, whereas no exact parallel control method exists: existing RE corrections approximate an intractable time reversal and are biased. We propose Exact Non-
equilibrium COntrol with Replica Exchange (ENCORE), the first exact parallel control method. Each replica stores its generation trajectory, so the upward move is a truncation and the intractable time reversal is never simulated. We prove target invariance and show that the resulting dynamics are those of non-
equilibrium replica exchange with the exact time reversal as forward proposal. Under regularity conditions, our
diffusion analysis shows that both sequential and parallel control become unstable under refinement of the time discretisation without guidance, whereas guided proposals remain stable and yield diagnostics for tuning the schedule and the computational budget. Across synthetic targets, Boltzmann sampling of biomolecules, and image generation, ENCORE achieves competitive accuracy and diversity, remains robust to sampler perturbations, and applies to distilled samplers where existing RE corrections are unavailable.
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All authors Jiahao Yu, Saifuddin Syed, José Miguel Hernández-Lobato, Jiajun He
Machine Learning (Statistics)
Learning Style, Forgetting Semantics: A Case Study of SFT and RFT on Classification Tasks
Haodong Liang, Yanhao Jin, Krishnakumar Balasubramanian et al. (+1 more)
Why does supervised fine-tuning (SFT) lead to more forgetting than reinforcement fine-tuning (RFT), even when all teacher demonstrations are semantically correct? We study this question on classification tasks where
tokens within each semantic class express the same semantic answer in different styles. The tasks share an underlying semantic rule but differ in their
prompt distributions and teachers' stylistic preferences. Using a tractable linear-softmax policy, we derive an exact decomposition of the updates into semantic and style components. We show that, at a common policy and
prompt, SFT and RFT have parallel semantic updates but differ in their style dynamics. Starting from a policy with no within-class style preference, RFT with exact policy gradients preserves this
symmetry, whereas SFT with a nonuniform teacher develops off-axis style drift along a nonzero task mean under population updates. We use this drift to establish a separation under explicit conditions: for population updates from a common perfectly fitted checkpoint, SFT forgetting admits a strictly positive lower bound over a finite training interval, while RFT retains zero semantic error. Simulations over task sequences support these theoretical predictions.
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All authors Haodong Liang, Yanhao Jin, Krishnakumar Balasubramanian, Lifeng Lai
Machine Learning (Statistics)
Conformal Prediction for Time Series with Deep Sequence Models
Junghwan Lee, Jonghyeok Lee and Yao Xie
Recent advances in deep learning for time series prediction have amplified the need for reliable uncertainty quantification. Conformal prediction has gained
attention as a distribution-free framework for constructing prediction intervals with coverage guarantees. However, its coverage guarantees rely on data exchangeability, an assumption generally violated in time series. Active research has focused on developing conformal prediction methods for time series that overcome this limitation. While deep sequence models, such as recurrent neural networks and
Transformers, have often been used in conformal prediction for time series, limited work has systematically studied how deep sequence models can be utilized in conformal prediction for time series. In this work, we systematically investigate the use of deep sequence models in conformal prediction for time series through three approaches: conditional
quantile regression, conditional
quantile function estimation, and localized conformal prediction. We provide a theoretical analysis establishing asymptotic conditional coverage guarantees for all three approaches under suitable assumptions. Through comprehensive experiments on real-world
datasets, we demonstrate the effectiveness of leveraging deep sequence models into conformal prediction for time series.
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Machine Learning (Statistics) · Cross-listed from econ.EM
Expected Utility Regret Rule: Minimax and Bayes Optimal Portfolio Choice
Masahiro Kato
This study considers the problem of portfolio choice, where we recommend a portfolio to an investor to maximize the expected utility of their wealth. Our goal is to construct an asymptotically optimal portfolio choice rule in terms of expected utility regret, the difference between the expected utility of an oracle investor and that achieved by a portfolio chosen from data. We propose the Expected Utility Regret (EUR) rule, which jointly selects a portfolio class and estimates its weights. In a regular parametric return model, a single EUR rule attains both the minimax and the Bayes lower bounds, including their leading constants, without using the prior distribution that defines the Bayes criterion. We then derive the mean–variance and risk-parity portfolios as special cases of this framework. Under smooth increasing and concave utility, the EUR rule and the sample mean–variance portfolio attain the same leading expected regret when expected excess returns approach zero sufficiently fast. When the returns divided by their
volatilities have a joint distribution that does not depend on the order of the assets, the EUR rule and the risk-parity portfolio coincide.
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Machine Learning (Statistics) · Cross-listed from cs.LG
FERPO: Forward Entropy-Regularized Policy Optimization
Sebastian Sanokowski, Alireza Sarmadi and Majid Khadiv
Several state-of-the-art methods for online reinforcement learning in continuous control improve policies using action gradients of a learned critic. However, critics are typically trained to predict returns, and accurate value predictions do not necessarily yield accurate action derivatives, potentially leading to unreliable policy updates. We propose Forward
Entropy-Regularized Policy Optimization (FERPO), an on-policy maximum
entropy reinforcement learning
algorithm that performs policy improvement using critic values without differentiating the critic with respect to actions. FERPO derives an optimal target action distribution from a policy-improvement objective regularized by
entropy and Kullback-Leibler (KL) divergence. We then fit the actor to this target by minimizing a forward-KL objective, estimated using self-normalized importance sampling (SNIS) with actions drawn from the rollout policy. By limiting the target distribution's deviation from the rollout policy, the KL regularization helps keep these importance weights well behaved. In contrast to reverse-KL objectives, which can favor a subset of the target distribution's modes, the forward-KL objective encourages coverage of multiple high-value modes and thereby promotes exploration. Experiments and ablations on MuJoCo Playground and ManiSkill show competitive performance and sample-efficiency gains. Computational
benchmarks also demonstrate faster actor updates than Relative
Entropy Pathwise Policy Optimization (REPPO).
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Machine Learning (Statistics) · Cross-listed from cs.LG
Muon meets Tamed Langevin: Momentum Preconditioning beyond Convex and gradient-Lipschitz Potentials
Nikolaos Makras and Sotirios Sabanis
We consider the problem of sampling from Gibbs distributions on
matrix spaces whose potential energies are neither convex nor globally gradient-Lipschitz. We introduce a family of non-quadratic kinetic energies that lead to a new underdamped Langevin system with momentum preconditioning, in which the gradient of the kinetic energy acts as a smooth spectral taming of the momentum. We prove that, under these relaxed assumptions on the potential, the resulting dynamics leaves the target Gibbs measure invariant, and we establish exponential convergence to
equilibrium in a weighted total variation distance. Finally, we show that the corresponding Euler-Maruyama discretization admits moment bounds that are uniform in time, without any modification of the potential gradient, which ensures the stability of the resulting sampling
algorithm.
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Machine Learning (Statistics) · Cross-listed from math.ST
Sample complexity bounds for categorical Markov random fields via Discrete Diffusions
Shivam Kumar and Nabarun Deb
Many applications in statistics, economics, and physics require sampling from high-dimensional categorical distributions with local dependence structures. Examples include finite
memory language models, Ising and Potts systems in statistical physics and
protein folding, etc. In modern machine learning, discrete
diffusions have emerged as a flexible approach for sampling such data, with strong empirical performance. Motivated by this, we develop learning methods with end-to-end sample complexity bounds for discrete
diffusion with uniform noising under local dependence, which we model through low order Markov random fields (MRFs). Our main technical insight is a new pinning decomposition of the discrete score. It shows that unlike in continuous
diffusions, the score decomposes into components where the dependence on time separates multiplicatively from the dependence on the target. Building on this decomposition, we propose a weight-sharing neural score learner and combine it with $\tau$-leaping to obtain an end-to-end sampling procedure. Rather than treating score-learning error as a black-box input, as is common in existing sampling analyses, we study the score learning error from finite data and derive optimal sampling guarantees with explicit dependence on the vocabulary size, the interaction order of the MRF, and the sample size. Moreover, our strategy trains a single score network across uniform noise levels while leaving the sampling discretization to be chosen at inference-time. This allows the same trained model to trade accuracy for computational cost as inference-time budgets vary. Numerical experiments on Potts, Ising, and tree-structured models show that weight-sharing score networks outperform fully connected ones for sampling long sequences.
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Machine Learning (Statistics)
Wasserstein Gradient Flows and Forward-Only Diffusion Are Not Enough for Multimodal Sampling
Daniel McBride, Pratik Khandagale, Cristina Garcia-Cardona et al. (+1 more)
There has been a proliferation of sampling
algorithms based on Wasserstein gradient flows (WGF) and forward-only
diffusion processes (FODP), often accompanied by theoretical guarantees of exponentially fast convergence to the target distribution. These guarantees are frequently interpreted as evidence that such methods can efficiently sample complex
multimodal distributions, often supported by empirical results. In this work, we argue that this interpretation is fundamentally misleading. By invoking the Jordan-Kinderlehrer-Otto (JKO) scheme and Otto calculus, we establish that the canonical WGF sampling dynamics and overdamped forward
diffusion share the same density
evolution and therefore inherit the same metastability and slow-mixing phenomena long understood in nonequilibrium statistical physics. We analyze this family of samplers using two complementary tools – spectral analysis and mean first-passage time (MFPT) analysis – and show that well-separated multimodality can induce exponentially long mixing times associated with small spectral gaps and rare inter-mode transitions. For the commonly adopted log-linear annealing schedule studied here, we find that introducing intermediate distributions does not remove the exponential scaling of the total transport time. The limitation is structural rather than implementation-specific: purely local, gradient-driven transport mechanisms can require exponentially long times to transport probability mass across well-separated modes. We argue that this represents a fundamental limitation of WGF- and FODP-based sampling in their standard forms, and motivates future development of fundamentally nonlocal mechanisms for efficient
multimodal sampling.
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All authors Daniel McBride, Pratik Khandagale, Cristina Garcia-Cardona, Yen Ting Lin
Machine Learning (Statistics) · Cross-listed from cs.LG
The Curvature of Regret in Contextual Linear Optimization
Konstantinos Ziliaskopoulos, Alexander Vinel and Alice E. Smith
Decision-focused learning for linear optimization is complicated by the discontinuity of the optimizer, where small cost errors may leave the decision unchanged or move it to a different vertex. We show that this non-smooth pointwise behavior becomes locally quadratic after averaging over the data distribution, and we derive the
curvature in closed form, specifically, a
matrix-valued measure supported on the walls of the normal fan. This measure depends only on the feasible set, with the data distribution entering only as a weight. We then offer a tractable approximation for this
curvature, computable with just one projection to the feasible set. We prove that the approximation weakly converges to the true population
curvature. We offer one application of our findings, a decision-aware scenario generation method for expected-cost linear optimization. Our experiments test the quadratic and weak convergence laws and show a 30.8% regret improvement over uniform allocation on battery arbitrage.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Sharp Non-Asymptotic Analysis of the Penalized Challenger in $\beta$-EB-TCI for Bernoulli Bandits
Nam Nguyen and Tuan Quang Dam
Top-two
algorithms are simple and effective for fixed-confidence best-arm identification, but their sharp non-asymptotic behavior is still not well understood. We study this problem for Bernoulli bandits through $\beta$-EB-TCI, the empirical-best top-two rule of Jourdan et al., whose challenger is chosen using a Bernoulli transportation cost with a logarithmic count penalty. We prove that, after the empirical leader has become the true best arm and its sampling fraction stays close to $\beta$, the stopping time is $T_{\beta}^{\star}(\mu)\log(1/\delta)$ up to lower-order concentration terms. We also show that, in this regime, every challenger is sampled linearly often. Thus, for the original
algorithm without forced exploration, the main remaining difficulty is to control when the empirical leader becomes permanently correct. These results imply a non-asymptotic high-probability bound for all Bernoulli instances with a unique best arm. If the
algorithm satisfies a finite-mean sufficient-exploration condition, the bound further yields the sharp expected sample complexity. In particular, this gives the sharp expectation result for the unguarded Bernoulli rule when all arm means are pairwise distinct, using the sufficient-exploration result of Jourdan et al. Finally, if we add a mild forced-exploration rule that contributes only $O(\sqrt{Kt})$ pulls up to time $t$, we obtain a self-contained expected sample-complexity
theorem for any number of arms under the unique-best-arm assumption. We also identify a limitation of proof strategies that try to handle equal suboptimal means through a single index-comparison argument.
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Machine Learning (Statistics) · Cross-listed from econ.EM
Pragmatic DML with AI-Learned Representations
Andres Aradillas Fernandez, Victor Chernozhukov, Carlos Cinelli et al. (+5 more)
Text, images, and other rich
covariates are increasingly compressed into AI-learned representations and then used as controls in causal analysis. We study when this approach is valid and develop a practical framework for causal inference with learned representations. For a broad class of estimands, an imperfect representation distorts the target causal parameter by the product of two representation errors: one in the outcome regression and one in the balancing weight (or Riesz representer). This yields three constructive results. First, cross-fitted double machine learning (DML) provides valid Wald inference for the representation-dependent target. When representation errors are small, the same interval covers the causal parameter, and it can even attain the semiparametric efficiency bound. Second, fold-wise representation learning (or fine-tuning) is compatible with DML inference for the causal parameter. To this end, we develop convex- and
star-aggregation pipelines for learning and combining representations. Third, when representation errors are substantial, we can provide interpretable sensitivity regions and root-$n$ inference for their endpoints. In a multi-modal demand application, seven representation-specific estimates and their
star aggregate all imply a negative near-unit elasticity for rank-based price response, and the result remains robust over the reported sensitivity grid.
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All authors Andres Aradillas Fernandez, Victor Chernozhukov, Carlos Cinelli, Sven Klaassen, Whitney Newey, Martin Spindler, Jan Teichert-Kluge, Suhas Vijaykumar
Machine Learning (Statistics)
Error-Corrected Inference-Time Scaling for Imperfect Diffusion Models
Zuokai Wen, Louis Grenioux, Weinan E et al. (+1 more)
Inference-time scaling adapts pretrained
diffusion models to new sampling tasks without additional training. Existing methods rely primarily on Monte Carlo sampling with more particles, yet are premised on the pretrained model being exact. In practice, data and training limitations make the model imperfect, and these methods inherit its error. More particles reduce Monte Carlo error but cannot remove the mismatch between the endpoint and the desired target or the error in tracking the prescribed probability path. We introduce the Energy-based Feynman-Kac Corrector (EBFKC), a framework for energy-based
diffusion models that corrects these errors on the fly given a reference energy. We first derive Feynman-Kac dynamics that track a prescribed path exactly in the continuous-time population limit even when the model is imperfect, and approximate these dynamics using sequential Monte Carlo with variance-controlling guidance. To remove the endpoint mismatch, we use the pretrained energy as a surrogate along the
diffusion path and progressively incorporate the discrepancy between the learned and target terminal energies. Experiments on Gaussian mixture models, particle systems, alanine dipeptide, and alanine tetrapeptide show that our method closely matches target distributions and molecular free-energy profiles under annealing and reward tilting, whereas standard inference-time scaling baselines retain substantial sampling errors.
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All authors Zuokai Wen, Louis Grenioux, Weinan E, Jiequn Han
Machine Learning (Statistics) · Cross-listed from stat.ME
Generalized Engression Models
Xinwei Shen, Zijian Guo and Francis Bach
We consider estimating the conditional distribution of a multivariate outcome given
covariates when its coordinates may be continuous, binary, categorical, ordinal or rankings, and are conditionally dependent on one another. Different statistical methods have been developed for each outcome type, and most of them target a summary of the conditional distribution, such as the mean of each coordinate, rather than the joint distribution of the outcome vector. We develop generalized engression models, a unified nonparametric distributional regression framework for outcomes of any type. The proposed method builds upon engression, a scoring-rule-based deep generative model, and introduces a data-type-specific link function and a
stochastic perturbation that smooths the loss, enabling gradient-based training even with discontinuous links. We establish universal representation results for continuous, discrete and mixed outcomes. In simulations and in two applications, 242 species in a community ecology
benchmark and a 17-dimensional mixed-type health outcome, the method matches type-specific models on marginal scores, improves on them on the joint distribution, and matches or exceeds purpose-built state-of-the-art joint species distribution models. Software is available in Python.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Inferring Multi-Timescale Neural Dynamics with Switching Linear Dynamical Systems
Lulu Gong, Yongxu Zhang and Shreya Saxena
Neural activity often exhibits multiple timescales that can vary with behavioral states and task conditions. Identifying these timescales from neural recordings is important for better understanding neural computation and function. However, traditional approaches based on autocorrelation fitting are difficult to scale to high-dimensional population recordings and can become unreliable when neural dynamics change with behavior. State-space models have been a powerful framework for modeling high-dimensional neural population activity through latent dynamical systems, but standard formulations and inference methods do not explicitly account for multiple timescales and therefore do not guarantee accurate recovery of the underlying temporal structure. Motivated by these questions, we introduce the Multi-Timescale Switching Linear Dynamical System (MTS-SLDS), a framework for identifying regime-specific latent timescales from continuous or spiking neural observations. MTS-SLDS combines a multi-lag moment initialization, which captures temporal structure across multiple observation lags, with regime-conditioned Laplace-EM inference, which reduces mixing of dynamical statistics across uncertain regimes. Characteristic timescales can then be extracted directly from the
eigenvalues of the learned latent transition
matrices. In synthetic and neural experiments with Gaussian and Poisson spike observations, MTS-SLDS accurately recovers timescales and switching structure over multiple
datasets.
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Machine Learning (Statistics) · Cross-listed from cs.LG
In-context Learning of Single-index Targets: Comparing Kernel and Feature Learners
Haotian Gu, Yizhou Xu and Lenka Zdeborová
In-context learning (ICL) enables a pretrained model to infer a task from demonstrations without updating its parameters. While much of the existing theory focuses on linear target functions, in this paper we study nonlinear cases by comparing two one-layer
attention architectures on the same family of single-index tasks. A kernel learner first maps inputs through a fixed nonlinear feature map and then applies linear
attention, whereas a feature learner applies
attention to the original input, followed by a learned nonlinear readout. We derive predictions for their memorization and generalization errors using the replica method, retaining the effects of pretraining size, task-pool diversity, and training and inference context lengths. The resulting predictions closely match numerical experiments across a broad range of regimes. Our analysis yields phase diagrams that characterize when each architecture is advantageous as the amount of pretraining data, task diversity, and context lengths vary. We further identify qualitatively different context-length scalings for the two learners. Together, these results clarify how architectural choices interact with the
dataset and govern nonlinear in-context learning.
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Machine Learning (Statistics) · Cross-listed from math.OC
Lower Bounds for Stochastic First-Order Algorithms with Variance Reduction in Nonconvex–Concave Minimax Optimization
Jiayi Song and Zi Xu
We establish complexity lower bounds for
stochastic first-order
algorithms in nonconvex–concave minimax optimization, allowing
algorithms to use variance reduction. Our main contribution is a lower bound for a zero-respecting
algorithm class that permits variance reduction, extending beyond the algorithmic restrictions imposed by some existing lower bounds. We consider objectives with an $L$-Lipschitz continuous joint gradient, a compact convex dual domain of Euclidean radius at most $D_Y$, and a primal value function, defined by maximizing the objective over the dual variable, with initial suboptimality at most $\Delta$. The target accuracy $\varepsilon$ is measured by the gradient norm of the Moreau envelope of the constrained primal value function with parameter $1/(2L)$. Under an unbiased
stochastic first-order oracle with variance at most $\sigma^2$ and mean-square smoothness, we prove the lower bound $\Omega\!\left(L^2D_Y\Delta\varepsilon^{-3}+L^3D_Y^2\Delta\sigma^2\varepsilon^{-6}\right)$. This result quantifies the dependence on accuracy, dual-domain radius, and oracle noise even when variance reduction is allowed. We also establish complementary lower bounds for nonconvex–strongly-concave minimax optimization. With dual strong-concavity parameter $\mu>0$ and condition number $\kappa:=L/\mu$, we obtain $\Omega\!\left(L\Delta\sqrt{\kappa}\,\varepsilon^{-2}+L\Delta\kappa\sigma^2\varepsilon^{-4}\right)$ under the bounded-variance oracle model. Under the additional mean-square smoothness condition with constant $\bar L$, we obtain $\Omega\!\left(L\Delta\sqrt{\kappa}\,\varepsilon^{-2}+\Delta\bar L\sigma\kappa^{3/2}\varepsilon^{-3}\right)$. Together, these results identify complexity barriers across the concave and strongly concave regimes, with the main nonconvex–concave bound remaining valid for
algorithms that use variance reduction.
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Machine Learning (Statistics)
The hidden advantage of mask resampling: a theory of masked autoencoders
Jorge Medina Moreira, Lorenzo Bardone and Lenka Zdeborová
Why can masked prediction learn useful representations that unmasked reconstruction misses? We study this question in a high-dimensional model of a masked autoencoder (MAE) trained on data with shared latent structure and heterogeneous noise. We prove that masked linear reconstruction can recover the latent feature at linear sample complexity in regimes where unmasked linear reconstruction, equivalent to PCA, fails. The analysis also quantifies the statistical advantage of mask resampling, an established ingredient of masked pretraining. By introducing a fixed collection of $K$ masks per sample, we characterize its effect on feature recovery and downstream performance, identifying regimes where greater mask diversity lowers sample complexity. Guided by this prediction, we find that random cropping and flipping in standard image-training pipelines can obscure the advantage of mask resampling by renewing the prediction task even when the patch mask is fixed. Removing these transformations reveals a downstream advantage for dynamic over static masking in CNN autoencoders and
vision transformers. A complementary BERT pilot finds benefits from greater mask diversity on downstream
language tasks. Our results separate the benefit of the masked prediction objective from that of mask diversity, and show how a tractable theory can guide experiments that uncover advantages hidden by standard training practices.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Exact Distinguishability in Non-Markovian Decision Processes
Kabir Murjani and Nisarg Patel
Non-Markovian environments are often modeled as Regular Decision Processes (RDPs), where dynamics depend on the interaction history through a finite automaton. Existing offline guarantees for RDPs rely on a distinguishability assumption on the behaviour policy but provide no means of verifying it. When the assumption is violated, distinct models may explain the data equally well. We study when data collected under a fixed behaviour policy can distinguish two candidate RDPs. We prove that the posterior odds between observationally equivalent candidates remain equal to the prior odds at every sample size, even when the policy visits every automaton state, and verify both results formally in Lean 4. We then characterize this equivalence exactly and derive PEC, an
algorithm that decides it in time linear in the size of the product automaton. The distinguishability assumption of prior work fails on three of our four test environments, and the experiment identified by PEC restores it in each case.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Langevin-Informed Transfer Learning: Replacing Target Samples by Black-Box Feedback
Vladimir R. Kostic, Karim Lounici, Hélène Halconruy et al. (+3 more)
Many scientific and machine learning systems, from molecular dynamics to
diffusion models and beyond, are governed by
stochastic dynamics with low-dimensional structure, evolving on slow timescales. However, target trajectories, used to identify and interpret such dynamics, are often inaccessible: only biased or static samples that explore the underlying
manifold are available. We introduce Langevin-Informed Transfer Learning (LITL), a framework for recovering target Langevin dynamics from biased source samples using only black-box feedback. LITL learns the leading spectral structure of the target infinitesimal generator and the projected drift through Dirichlet representation learning, enabling kinetic reconstruction in spectral form and slow-
manifold gradient field estimation. We further introduce a spherical variant well suited to steering normalized latent representations commonly used in learning systems toward desired objectives. We establish finite-sample guarantees for
eigenvalue, eigenfunction, and projected drift estimation in Sobolev norms, thereby ensuring generalization of these quantities and their first-order derivatives. Empirically, LITL recovers physical transition timescales from biased molecular simulations, builds kinetic structure from static samples of generative models, reconstructs spherical
symmetries of physical systems, and enables post-hoc latent steering of trained neural networks under black-box feedback. Together, these results position spectral operator learning as a practical framework for recovering
stochastic dynamics under distribution shift and unlock applications across machine learning and the physical sciences.
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All authors Vladimir R. Kostic, Karim Lounici, Hélène Halconruy, Timothée Devergne, Michele Parrinello, Massimiliano Pontil
Machine Learning (Statistics) · Cross-listed from cs.CL
No Model Required: Text Entropy Rate Filtering Mitigates Iterative Fine-Tuning Collapse
Lewis Mitchell
Iterative fine-tuning on synthetic data causes model collapse: output diversity narrows as rare patterns are progressively lost, a signature most visible as phrase-level repetition. Existing mitigations either require model log-probabilities, an external oracle, or continued access to real human data. Here we develop a new approach grounded in mathematical information theory: the non-parametric Kontoyiannis
entropy rate
estimator $h_k$, computed entirely from raw text via match-length statistics, with no model of any kind. We show that this is in fact a superior training-data filter on text-diversity metrics in a fully-synthetic, single-lineage fine-tuning setting. In a six-generation QLoRA collapse experiment on Llama-3.1-8B, logprob-based filtering (the most established model-access-requiring baseline) provides no significant text-diversity benefit on any metric ($p > 0.23$), whereas $h_k$-filtering yields $+42\%$ unique trigrams, $+30\%$ vocabulary, and $-19\%$ repetition (all $p < 0.001$). We validate $h_k$ as a cross-domain
entropy proxy ($\beta = 0.924$, $R^2 = 0.746$) and collapse detector ($\rho = +0.454$, $p < 0.0001$) across 4~domains, 2~temperatures, 2~generator–scorer model pairs, and 1{,}520 generated documents. Our results demonstrate that information theoretic approaches to collapse mitigation are efficient, and suggest new approaches for maintaining multi-
agent diversity.
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Machine Learning (Statistics)
Zero Flux: Flow-Based Comparison of High-Dimensional Discrete Distributions
Leyang Wang, Yakun Wang, Song Liu et al. (+1 more)
Comparing two high-dimensional discrete distributions has always been a challenging task due to the exponentially growing state space and complex changes in interactions. A recent work suggests comparing distributions through a vector field trained using flow matching between two continuous distributions. The resulting vector field at mid-point vanishes if and only if two distributions identical. However, such a flow-based criterion does not naturally apply to discrete distributions. We extend this principle to the discrete domain and introduce the Zero Flux criterion, a discrepancy based on local probability fluxes. Under independent coupling, we show that all local probability fluxes vanish at the midpoint if and only if two distributions are the same. This discrepancy decomposes the joint distributional difference into smaller, local contributions and can be efficiently estimated from samples. We establish finite sample error bounds for our
estimator. Experiments on synthetic and real categorical data demonstrate reliable recovery of sparse dependence signals and stable tracking of distribution shifts in high dimensions.
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All authors Leyang Wang, Yakun Wang, Song Liu, Taiji Suzuki
Machine Learning (Statistics) · Cross-listed from cs.LG
Tight Transition Time Bounds for Separable Logistic Regression at the Edge of Stability
Haodong Wen, Kaiyue Wen and Jiaye Teng
We study logistic regression on linearly separable data under gradient descent with a large constant stepsize $\eta$. Such dynamics may exhibit a characteristic Edge of Stability phenomenon, in which the loss initially oscillates before transitioning to a stable phase of monotone decrease. Existing work provides a tight $\Theta(1)$ bound in dimension $d=2$ as $\eta \to \infty$ and
conjectures a bound independent of $\eta$ in arbitrary dimensions $d\geq 2$. In this paper, we disprove this
conjecture by showing that, for every fixed sample size $n\geq 2$ and sufficiently small margin $\gamma$, the worst-case transition time is $$\Theta\!\left((\log\eta)^{\min\{n-2,d-2\}}\right)$$ uniformly over $d\geq2$. The key challenge in establishing a tight bound is that the sample contributing most strongly to the gradient can change repeatedly across iterations. To address this issue, we control such changes by induction on dimension and sample size, and construct matching hard instances.
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Machine Learning (Statistics) · Cross-listed from stat.CO
On skew-symmetric distributions and their use in Monte Carlo sampling algorithms: coordinate-free, Gibbs-style and manifold versions of the Barker proposal
Minh Vu, Samuel Livingstone and Pantelis Samartsidis
Skew-symmetric probability distributions provide a principled mechanism for incorporating gradient information into Markov chain Monte Carlo
algorithms. Here we review the (preconditioned) Barker proposal, a Metropolis–Hastings
algorithm built on skew-symmetric distributions, and motivate its design. We then introduce three natural extensions. First, we propose coordinate-free variants of the Barker
algorithm. Second, we introduce a Gibbs-style Barker
algorithm that re-evaluates the gradient at each partially updated coordinate. Third, we derive a simplified
manifold Barker
algorithm, producing a
manifold sampler with enhanced robustness compared to natural comparators. Numerical experiments demonstrate that the Gibbs-style variant improves raw sampling efficiency on correlated targets, that the coordinate-free variants offer limited practical advantage over the standard Barker proposal once computational costs are accounted for, and that the simplified
manifold Barker
algorithm can achieve significant advantages over simplified
manifold MALA when the local
geometric structure of the target is irregular or unreliable.
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Machine Learning (Statistics)
Optimal Transport Meets Reinforcement Learning: A Survey
Yujie Zhu, Charles A. Hepburn, Matthew Thorpe et al. (+1 more)
Reinforcement learning (RL)
algorithms frequently compare probability distributions, such as state visitation distributions induced by policies and experts, action distributions from learned policies and offline
datasets, or transition distributions from learned models and environments. However, commonly used divergences may become ineffective when these distributions overlap weakly, which is frequently encountered in imitation learning, offline RL, and deployment under distribution shift. Optimal transport (OT) offers an alternative by measuring the cost of moving probability mass from one distribution to another under a ground cost that encodes task geometry. This survey covers how OT is used inside RL objectives and
algorithms. For each method, we identify: the role OT plays, the distributions compared, the OT formulation used, and the treatment of temporal structure. Beyond categorising existing methods, we discuss the motivations behind different OT choices, practical considerations such as cost design and computational challenges, and highlight open problems including scalable trajectory-level transport, principled handling of mass mismatch, and theoretical analysis for OT-regularised RL.
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All authors Yujie Zhu, Charles A. Hepburn, Matthew Thorpe, Giovanni Montana
Machine Learning (Statistics) · Cross-listed from cs.LG
Clifford Sheaf Neural Networks
Kotaro Kamiya and Joel Nicholls
We introduce the Clifford Sheaf Neural Network (CSNN), an equivariant sheaf neural network for
geometric graphs that places a Clifford
algebra on each stalk of a cellular sheaf and transports multivector features along edges. The canonical choice of restriction map for sheaves with
algebra-valued stalks is
algebra homomorphism. Adding the constraint of equivariance, the naive choice becomes versor conjugation. However, versor conjugation is expressively weak, so we drop
algebra homomorphism and arrive at the K-term sandwich. The resulting sheaf
Laplacian is positive semidefinite by construction, needs no versor constraint, and still mixes grades. Our main contribution characterizes the resulting family of restriction maps along three axes: which grades a map couples, how much of the endomorphism space it reaches, and how well it is conditioned. The K-term sandwich spans half of the endomorphism space, and in Cl(3, 0, 0) it corresponds to the maps that commute with the central pseudoscalar. The number of terms controls expressivity. CSNN is the reversion member, a first-order model by construction and the grade-mixing corner of this family, developed as a sheaf construction for graph-level equivariant regression.
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Machine Learning (Statistics) · Cross-listed from cs.LG
IQS-BO: In-Context Query Selection for Bayesian Optimisation
Luca Geminiani and Nadja Klein
Bayesian Optimisation (BO) is a powerful framework for the optimisation of expensive black-box functions, but typically requires refitting a surrogate and maximising an acquisition function at every evaluation step. In-context approaches based on Prior-data Fitted Networks (PFNs) amortise part of this cost by pre-training
transformers on functions drawn from synthetic priors. PFNs4BO amortises the surrogate but still relies on a numerically maximised acquisition function, while FIBO performs BO fully in-context by sampling optimiser locations from a learned density, which fixes the decision rule and admits no surrogate. Learned acquisition functions score a finite candidate set with a trained network, but, lacking a label for the query, learn the score by reinforcement learning on previously solved tasks. We propose IQS-BO, a PFN that learns the query decision by supervised learning on synthetic priors. In a single forward pass, IQS-BO predicts the probability that each candidate maximises the objective over the set, and we show that the minimiser of its objective is the posterior probability of this event. The model can be pre-trained without a surrogate for fully in-context BO, or take the predictions of a fixed probabilistic surrogate as additional input, amortising only the decision step. Our method proposes queries at a fraction of the cost of acquisition-based methods, while either matching or outperforming standard BO with Gaussian processes (GPs) and available in-context methods on synthetic and real-world
benchmarks. Finally, we propose a mixture prior for pre-training PFNs which combines samples from GPs with functions exhibiting warped inputs, isolated narrow optima, or plateaus that are poorly modeled by stationary kernels common in GP surrogates. We show that pre-training on this prior can lead to improved optimisation performance.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Counterfactual Generation via Flow Matching: Coupling-Sensitive End-to-End Rates
Yunrui Guan, Krishnakumar Balasubramanian and Shiva Prasad Kasiviswanathan
Counterfactual generation seeks to sample outcomes under a hypothetical intervention or decision using observational data collected under the factual assignment mechanism. We develop a flow-matching approach that combines a sample-split, doubly robust training objective with a learned coupling between observed source outcomes and target outcomes drawn from a fitted conditional outcome model. To enable finite-step generation, we leverage a score-corrected
stochastic sampler based on a Gaussian-smoothed interpolation. Our main theoretical contribution is a coupling-sensitive KL bound for constant-step Euler discretization: the error is controlled by moments of the source–target displacement under the chosen coupling, rather than by global uniform regularity of the velocity field, and has near-linear dependence on the ambient dimension. We also establish finite-sample non-parametric guarantees for the learned velocity and score fields when both the conditional outcome model and the source-target coupling are estimated from data. These bounds separate approximation, coupling-replacement, nuisance-estimation, generalization, and Monte Carlo errors and, combined with the sampler analysis, yield an end-to-end guarantee for counterfactual generation. Experiments on synthetic and semi-synthetic image
benchmarks support the coupling-dependent theory and show that, at finite discretization budgets, the
stochastic sampler can outperform the corresponding deterministic ODE sampler.
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Machine Learning (Statistics) · Cross-listed from math.ST
Gradient-Guided Density Peak Clustering
Yikun Zhang and Yen-Chi Chen
Density peak clustering (DPC) connects each observation to its nearest neighbor of higher density and identifies cluster centers as high-density observations with unusually large nearest neighbor uphill shifts. The resulting uphill paths from observations to cluster centers, however, can be irregular and unstable in low-density regions, making the clustering assignments sensitive to local perturbations and obscuring the population geometry of the DPC graph. In this paper, we introduce gradient-guided density peak clustering (GGDPC), which performs a gradient ascent step before each nearest neighbor uphill search. We develop a stability theory that relates the GGDPC graph to the gradient ascent flow of the population density. In particular, we establish consistency of GGDPC under five complementary criteria: recovery of local modes, adjusted Rand index, dendrogram (cluster tree), path length, and waterfall measure. Together, these results provide new statistical,
geometric, and topological interpretations of DPC-type clustering
algorithms.
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Machine Learning (Statistics)
Posterior sampling by source-space MCMC via prior-based few-step transport maps
Hoang Phuc Hau Luu, Marcelo Hartmann and Zhongjian Wang
Bayesian inference increasingly uses informative but implicit priors represented only by samples, such as historical ensembles, simulator outputs, and pretrained generative models. The same computational problem appears in the test-time guidance task (generalized Bayes), where an explicit positive weight, e.g., an exponentiated reward, tilts an implicit prior. We develop a framework for source-space generalized
Bayesian inference that combines inexpensive few-step prior transports with posterior stability guarantees. Specifically, we represent the prior using a one- or few-step improved MeanFlow (iMF) map and perform posterior sampling in its Gaussian source space. We establish Wasserstein error bounds between the exact and learned posteriors in terms of the joint population iMF and auxiliary-velocity loss, decomposed into training suboptimality and model-class approximation error. In the iMF source space, we adopt parallel tempering with preconditioned Crank-Nicolson updates and introduce a hybrid variant that incorporates split
Hamiltonian Monte Carlo to improve sampling efficiency. Synthetic experiments show that the proposed framework can approximate posterior distributions accurately and efficiently, while CLIP-guided ImageNet experiments demonstrate its ability to steer a pretrained iMF image prior toward text-specified preferences.
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Machine Learning (Statistics)
Tolerance-Based Fairness Auditing: Violation Certification and Sensitivity Screening
Jie Tang, Chuanlong Xie and Lixing Zhu
As artificial intelligence is increasingly deployed, algorithmic unfairness has raised growing concerns and intensified demands for transparent
fairness auditing. In practice, the tolerable degree of algorithmic unfairness depends on the specific legal, ethical, or application context. Given a prespecified tolerance threshold, an important statistical question is how to determine whether a group disparity exceeds the allowable tolerance across different auditing objectives. To address this problem, we develop a unified tolerance-based
fairness auditing framework for two complementary auditing objectives: violation certification, which prioritizes control of false violation declarations, and sensitivity screening, which prioritizes reducing missed violations. For the first objective, we develop a constrained empirical likelihood test for formal settings that uses least-favorable-point calibration and can be combined with false flagging rate control for simultaneous subgroup auditing. For the second objective, we develop split empirical likelihood and adjusted split empirical likelihood tests using an adaptive boundary-proxy principle for early-warning settings. Numerical experiments show the distinct error-control–sensitivity trade-offs of these procedures. A COMPAS analysis illustrates the framework in predictive
fairness auditing.
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