Peer Revenue Impact factor: volatile

Papers

Fresh from arXiv, typeset properly. Highlighted words trade on the market.

Statistics Machine Learning (Statistics)

stat.ML Watch Machine Learning (Statistics) (sign in to use)

Wednesday 26 August

Machine Learning (Statistics)

What Does Chain-of-Thought Entropy Measure? A Channel Audit of Scaffolding, Routing, and Content

Entropy over chain-of-thought tokens decides which tokens receive the policy gradient, which get pruned, and whether a run has collapsed, yet each such statistic reads a next-token distribution mixing three choices: whether to emit connective scaffolding, which connective, and what the substantive continuation should be. Designating a scaffold vocabulary subset separates the three, exactly, for entropy, Kullback–Leibler divergence, and the first-order entropy velocity of a softmax policy. We prove the raw and content conventions disagree about which position is the larger fork on an explicit open region, and bound answer diversity by the content channel plus a leakage term a measured witness certifies. Across twenty-three configurations the scaffold side carries up to 41% of the raw high-entropy set; on a matched-tokenizer ladder, coupling changes only at the math-corpus step while the scaffold's entropy share keeps growing through distillation; a closed-form forecast from one channel correlation tracks selection retention over a 54-point range to five points, unfitted. On compression, the content convention beats raw surprisal in every cell; an answer-leakage audit then corrects our own headline control: re-fed chains earn a quarter to a half of their accuracy from restated answers, and once stripped, no token scorer beats a random contiguous block.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cs.LG

The Limits of Speculation: Bounding Speculative Decoding in Mixture-of-Experts

Speculative decoding in Mixture-of-Experts (MoE) models faces the problem of unstable verification cost caused by input-dependent expert loading. To study the physics of this process, we formulate speculation-budget selection as an offline Stochastic Shortest Path (SSP) problem over reference sequences and build a diagnostic Oracle that uses counterfactual simulation to account for MoE verification cost. A detailed analysis of the Oracle's decisions on the Qwen3-Coder and EAGLE-3 pairing, in the space of marginal deltas (Delta Space), shows that rejected candidates form a strict linear boundary. This result demonstrates that a complex global optimization is locally governed by a necessary condition balancing marginal cost against expected progress ($\frac{\Delta \mathbb{E}[Cost]}{\Delta \mathbb{E}[a]}$), providing a rigorous mathematical reference point for designing future adaptive online heuristics.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cs.MA

Towards Scaling Reinforcement Learning to Massive Populations: Learning Mean-Field Representations

Modern multi-agent systems are increasingly deployed at scale over large populations of agents in settings such as ad-auctions, traffic routing, and recommendation systems. The dominant approach in such settings is to optimize each agent's policy independently, treating the other agents as part of a fixed single-agent environment rather than modeling the population dynamics. In many large-population systems, the dynamics depend on an aggregate summary of the population rather than the identity of any individual. Mean-field RL exploits such structure, providing a principled framework that models each agent's environment as an explicit function of the population distribution. However, in large state-action spaces or high-dimensional control problems, modeling the population distribution is itself intractable. How can we design a scalable framework for high-dimensional control problems with large populations? This work explores this question from the perspective of representation learning. We introduce a mean-field RL framework in which the rewards and transition dynamics depend on the population only through an unknown low-dimensional aggregate statistic. We then study this framework in the offline setting and design a provable approach that learns a near-optimal policy by learning a low-dimensional representation. Motivated by real-life supply-chain optimization problems, we design a one-step routing game to test the hypothesis that learning a low-dimensional population representation improves reward prediction and Nash gap estimation relative to baselines that don't exploit this structure. We show that under a fixed neural-network parameter count and optimization budget, learning a low-dimensional population representation improves reward prediction and the equilibrium quality of the resulting policies.
Read the full abstract

All authors Aditya Makkar, Benjamin Unger, Jeongyeol Kwon, Mathieu Laurière, Eugene Vinitsky, Yonathan Efroni

Machine Learning (Statistics) · Cross-listed from cs.CL

Compositional Generalization via Structural Identification in a Category-Theoretic Framework

Compositional generalization is usually evaluated through model accuracy. We instead ask which structural or lexical identifications make held-out COGS examples admissible from the structures observed in training. Sentences are represented as functors from syntactic addresses to lexical tokens, and selective collapses induce Kan extensions that propagate observed associations. Across 21 COGS generalization types, admissibility follows distinct identification profiles, while residual failures separate unsupported structural templates. These data-side diagnoses characterize what the training corpus licenses under specified identifications, without training a predictive model.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cs.LG

Muon with Finite Newton-Schulz: The Smoothing Benefit in Nonsmooth Nonconvex Optimization

Muon has emerged as a strong optimizer for the matrix-valued parameters in large language model pretraining, approximately orthogonalizing its momentum with a few Newton-Schulz iterations. Existing theory either replaces this iteration with the exact polar factor it approximates, or treats its finite depth as an approximation error, and thus the iteration Muon actually runs can only hurt the guarantees. We show that finite Newton-Schulz can instead be beneficial for nonsmooth nonconvex optimization. To this end, we analyze Muon through the online-to-nonconvex conversion, which views the update rule as an online learner and converts its regret bound into a stationarity guarantee. The finite Newton-Schulz iteration smooths the discontinuous polar map into a Lipschitz map of the singular values, and Muon with finite Newton-Schulz can be regarded as an online learner with a smoothed spectral potential. This smoothing is exactly what the conversion needs: we prove that a Newton-Schulz depth growing only logarithmically in the target accuracy suffices for convergence to stationary points in nonsmooth nonconvex optimization, whereas Muon with the exact-polar update may fail to converge. The resulting sample complexity bounds match the best-known guarantees for nonsmooth nonconvex optimization and are optimal for smooth nonconvex optimization up to problem-dependent factors. The argument extends beyond Newton-Schulz to general spectral maps with the same smoothing property.
Read the full abstract

Machine Learning (Statistics)

TRACE: Retrospective Streaming Generation of Physical Fields under Sparse Structured Sensing

Reconstructing continuous physical fields from sparse measurements is central to scientific monitoring, inverse modeling, and digital-twin construction. Generative reconstruction has recently emerged as a promising paradigm for this task by learning data-driven physical priors that complete plausible full fields from limited observations. However, existing methods largely assume fixed, batch conditioning, whereas real sensing systems often produce structured streams: probes scan local regions, instruments observe moving fields of view, and communication constraints may leave entire frames missing. We propose TRACE, a retrospective streaming generative reconstruction framework for physical fields under structured sensing. TRACE performs approximate Bayesian inference in a learned continuous-coordinate latent space, converting sparse off-grid measurements into generative latent evidence, fusing it with a state-space temporal prior through Kalman-style filtering, and refining under-observed past frames via retrospective smoothing. Experiments on active matter, ocean sound-speed fields, and supernova simulations show that TRACE matches or surpasses frame-wise generative reconstructors, offline spatiotemporal methods, and streaming data-assimilation baselines in reconstruction quality under temporally sparse and spatially localized sensing protocols.
Read the full abstract

All authors Xinyu Zhang, Lihao Chen, Panqi Chen, Lei Cheng, Ting Zhang, Jianlong Li, Shikai Fang

Machine Learning (Statistics) · Cross-listed from cs.LG

ICON decomposition: Multivariate concept auditing reveals shortcuts that neural networks rely on

Deep neural networks often exploit spurious associations, a failure known as shortcut learning. Before deployment, models should therefore be audited for reliance on concepts such as acquisition artifacts and patient demographics. Current methods, including linear probes and concept activation vectors, measure concept reliance by asking whether each concept is decodable from a layer. We show that this framing is misleading: decodability reflects not only concept reliance but also correlations among concepts and the outcome in the auditing dataset. We reframe shortcut auditing as a decomposition of the variance of intermediary representations with Independent Canonical cONcepts (ICON). ICON quantifies the share of a layer's variance explained by each concept conditional on all other concepts and the outcome, and also reports the variance left unexplained. Because ICON explanations are comparable across layers, their trajectories distinguish concepts that drive predictions from those that are merely encoded in the representations. In simulated data with ground truth, ICON recovers concept importance more accurately than seven baselines. In skin-cancer and neuroimaging applications, it separates learned shortcuts from merely correlated concepts, which we confirm with independent validation checks.
Read the full abstract

All authors Roshan Prakash Rane, Marco Simnacher, Manuel Pfeuffer, Marc-Andre Schulz, Nys Tjade Siegel, Maximilian Dreyer, Frederik Pahde, Wojciech Samek, Sonja Greven, Kerstin Ritter

Machine Learning (Statistics) · Cross-listed from cs.CL

Fine-Tuning Whisper for Automatic Speech Recognition in Baniwa: A Preliminary Study

Automatic Speech Recognition (ASR) technologies have achieved remarkable performance in recent years through the use of large multilingual foundation models. However, most advances remain concentrated on high-resource languages, while indigenous languages continue to suffer from a lack of speech resources and language technologies. This work presents a preliminary study on the adaptation of Whisper for Automatic Speech Recognition in Baniwa, an indigenous Arawakan language spoken in Brazil, Colombia, and Venezuela. The experiments were conducted using a corpus of 1,373 manually transcribed recordings obtained from a linguistic documentation project. The corpus contains approximately 0.54 hours of speech and consists primarily of isolated words and short elicited utterances. The Whisper Small model was fine-tuned using supervised learning and evaluated using Word Error Rate (WER) and Character Error Rate (CER). The best model achieved a WER of 37.5% and a CER of 7.45%, demonstrating that multilingual foundation models can be successfully adapted to extremely low-resource indigenous languages. The results establish an initial baseline for Baniwa Automatic Speech Recognition and provide a foundation for future research involving larger datasets, language-specific adaptation strategies, and post-processing techniques.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cs.LG

Quantum-Inspired Modeling of Driving Behavior

Driver behavior is heterogeneous, context-dependent, and changes over time, and these properties shape the traffic phenomena we observe. Most models, however, fix in advance which behavioral variables interact and how. Behavior outside that form is absorbed as noise, while models flexible enough to capture it tend to lose interpretability. We introduce a quantum-inspired representation of driver behavior that combines properties usually treated separately or in part: it is continuous, probabilistic, context-dependent, history-dependent, and represents interactions among behavioral variables as learned from data. Each driver is encoded as an evolving density matrix, providing a unified representation of behavioral uncertainty, temporal evolution, and context-dependent behavioral variation. Trained without supervision on the I-24 MOTION dataset, the framework recovers three interpretable driving profiles representing three regimes: free flow, transition, and congestion. The profiles capture the behavioral range of the data and the smooth transitions drivers make between regimes as conditions change. The same representation also reproduces known macroscopic phenomena, aligning with the fundamental diagram and reproducing hysteresis loops. We also show how the representation supports practical use: it supplies context-dependent parameters to classical car-following models, and gives an autonomous vehicle a live behavioral read of the surrounding drivers with a short-horizon forecast of their motion. The framework points toward models of traffic that are interpretable and trustworthy by construction. We release an open-source toolkit on GitHub (https://github.com/mselayan/quantum-driver-representation) spanning data processing, training, inference, and analysis.
Read the full abstract

Machine Learning (Statistics)

Efficient Estimation of High Information Projections using Nearest Neighbours

An intuitive method for dimensionality reduction is proposed, which is highly effective for finding interesting projections of multivariate data. Following similar intuitive motivation to a number of existing techniques, the proposed method is based on enhancing the nearest neighbour relationships in the data. The proposed projection arises from the spectral decomposition of a matrix designed to encode the local covariance structure in the data, where the local covariance at a point is captured by pairs of its nearest neighbours. We show that under standard regularity conditions this matrix is a consistent estimator of the so-called “Density Information Matrix” (DIM); a non-parametric analogue of the Fisher Information Matrix. Spectral decompositions of DIMs have been shown to be connected with the important problems of Independent Components Analysis and, in the supervised context, Sufficient Dimension Reduction. However, existing estimators of the DIM are computationally expensive to compute and only target the DIM of a surrogate density, which is proportional to the square of the true underlying density. In addition, we go on to explore the practical utility of our method in aiding the downstream tasks of cluster analysis and outlier detection.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cs.LG

Geometry-Constrained Kolmogorov-Arnold Networks: Learning Edge Geometry via Banach Duality

Kolmogorov-Arnold Networks (KANs) replace fixed activations in deep architectures with learnable univariate edge functions, making the choice of edge parametrisation central. Existing variants rely on fixed bases such as splines, polynomials, or Fourier features, which impose a function-space geometry before data are observed. We introduce geometry-constrained KANs, a family of edge activations derived from Banach duality maps in which the geometry itself is learned through a scalar exponent $p > 1$ per edge. This exponent controls the qualitative response: sub-Euclidean values produce sharp, threshold-like behaviour reminiscent of the $\ell_1$ (LASSO) geometry, $p = 2$ recovers the linear regime, and larger values produce flatter responses near the origin. Across 50 symbolic-regression targets ($40$ from the AI Feynman benchmark plus $10$ synthetic stress tests), geometry-constrained KANs match or beat every fixed-basis baseline on median NRMSE (Banach-KAN $0.030$, tying Chebyshev and improving on splines); on average rank Banach-KAN is best on the $18$-equation core ($2.00$) and statistically tied with the strongest spline on the full benchmark ($2.32$ vs. $2.34$). The clearest gains appear under measurement noise: as $\sigma$ grows from $0$ to $1$, $\ell^p$-KAN degrades only $3.7\times$ – below even a cross-validated spline ($\approx 11\times$) – while an unregularised spline degrades $21.6\times$; Banach-KAN degrades $8.8\times$, comparable to a tuned spline but far more stable than the unregularised one. Banach-KAN also takes the most per-equation wins in the small-sample regime, with fixed-basis models catching up only as the training set grows. Learned exponents provide an interpretable, relative signal: at a fixed initialisation they reveal a consistent, target-dependent geometric ordering across equation families and input dimensions.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cs.LG

Comparing Corrupted Constrained Learning Problems

A key result in statistics is the data processing inequality, originally proved by Blackwell (1951) and later refined by DeGroot (1962) in terms of statistical uncertainty. The latter statement claims that the Bayes risk achieved on raw data always undercuts the Bayes risk on a processed version of the same data. This seemingly contradicts empirical findings in machine learning: pre-training, representation learning, feature learning, data augmentation are techniques used to improve performance of machine learning models. We reconcile both worlds by simply accepting that machine learning problems are constrained learning problems: the model class used does not include all measurable functions. We present counterexamples showing that the classical data processing inequality fails to hold in such a setting. Hence, we formulate a generalized data processing inequality, requiring the constrained Bayes risk of a joint distribution (with respect to a loss function and a constrained model class) to lower bound the constrained Bayes risk on the stochastically modified data distribution, regardless of the choice of distribution. We show this inequality to be equivalent to a set containment condition on a specific function set induced by the loss and model class, called the superprediction set. Finally, we exploit our characterization, derive sufficient conditions for this containment and quantify the inequality-gap.
Read the full abstract

Machine Learning (Statistics)

Multi-output Gaussian process prediction of physical fields under linear equality constraints

We address the simultaneous prediction of multiple high-dimensional physical fields governed by linear equality constraints, a setting that arises in many real-world applications in physics machine learning. Gaussian process (GP) regression is a widely used surrogate modeling approach due to its effectiveness in small-sample regimes and its ability to provide uncertainty quantification. However, applying GP models in this setting raises two major challenges: the high dimensionality of the discretized output fields and the enforcement of the physical constraint in predictions. For the latter, a common strategy consists in deducing one output from the others via the constraint relation. Through a benchmark, we show that this deductive approach is sensitive to the arbitrary choice of which output to deduce, affecting both predictive accuracy and uncertainty quantification. Consequently, there is a need for an approach that treats all fields symmetrically while strictly respecting the underlying physics. Motivated by these limitations, we propose a robust framework for jointly modeling constrained multi-field data. Our approach first leverages a specific PCA procedure for multi-field data, coined row-wise PCA, which has the interesting property of preserving the constraint in the latent space. Since standard PCA strategies for multi-field data do not preserve such constraints, we investigate theoretically the optimality of the row-wise choice. In a second step, we consider a linearly-constrained multi-output GP approach based on a specific kernel parametrization which is trained on the latent space of row-wise PCA. The proposed framework is validated on a population dynamics problem and on an industrial CFD application, which involves the prediction of Reynolds stress tensor components under the incompressibility constraint.
Read the full abstract

All authors Mahamat Hamdan Nassouradine, Clément Gauchy, Pierre-Emmanuel Angeli, Sébastien da Veiga

Machine Learning (Statistics)

Fast rates in Bayesian online learning with approximate posteriors

Exact Bayes prediction enjoys fast predictive regret guarantees, but exact posterior updating or representation may be too costly for online use. We study when these statistical guarantees are preserved by computational approximations. We show that the cumulative price of posterior approximation can be governed by the interaction between the contraction radius of the exact Gibbs posterior and the Wasserstein distance between the approximate and exact posteriors. Our general theorem shows that whenever exact Bayes prediction achieves a fast regret bound, any approximate posterior method that tracks the exact posterior with sufficient accuracy inherits the same fast regret, up to an additive term determined by the approximation error. Three online learning examples are developed. For linear models with strongly convex regularized losses, a projected Langevin algorithm yields an approximate posterior that achieves logarithmic regret. For an infinite-dimensional canonical exponential family sequence model over a Sobolev ellipsoid, a prior-preserving truncation method attains the minimax predictive regret rate with sublinear memory and constant update cost per observation. For random-design Gaussian process (GP) regression, a sparse variational posterior with inducing variables achieves the same predictive regret rate as the exact GP, but at substantially lower computational cost.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cond-mat.stat-mech

Nonequilibrium Dynamics of Simple Exclusion Processes Across Dimensions

The simple exclusion process (SEP) is a paradigmatic model for nonequilibrium transport, yet its rich dynamics over an exponentially large configuration space remain notoriously intractable. Here, we leverage variational autoregressive networks to characterize the nonequilibrium dynamics of the symmetric (SSEP), asymmetric (ASEP), and totally asymmetric (TASEP) cases in one to three dimensions at any time. We validate the approach against established finite-time 1D and long-time 2D results for the SSEP, and further provide new results on dynamical activity, density fields and nonequilibrium phase transitions for 2D and 3D cases. In 2D, we give a directional-density criterion connecting the bulk-density organization to the 1D TASEP phase diagram, and reveal how boundary and bulk rates separately control the activity and susceptibility. In 3D, we provide the first finite-time characterization of the SSEP active-inactive phase transition, and uncover scaling relations over time. Across dimensions, the critical field follows a trend $s_c\sim L^{-2}$, suggesting tuning strategies by the characteristic diffusive length scale. Overall, this work establishes a unified neural-network framework for characterizing nonequilibrium dynamics of representative transport systems.
Read the full abstract

All authors Zhimao Liu, Jing Liu, Pan Zhang, Ying Tang

Machine Learning (Statistics) · Cross-listed from cs.LG

Beyond Optimal Rates in Stochastic Optimization: Trajectory-Adaptive Stopping Rules

Stochastic gradient descent (SGD) is typically analyzed at a deterministic horizon chosen before the algorithm is run, even though practical stopping decisions are made adaptively by inspecting the evolving trajectory. This mismatch creates a fundamental certification problem: fixed-time guarantees do not generally remain valid at data-dependent stopping times, while deterministic horizons derived from worst-case bounds can be highly conservative. We address this problem for strongly convex stochastic optimization by constructing fully observable, trajectory-adaptive upper confidence sequences for the squared distance of the last iterate to the optimizer and the suboptimality of a weighted average. These bounds hold simultaneously over time, attain the optimal $1/t$ decay rate up to iterated-logarithmic factors in the worst case, and adapt to the realized stochastic gradients, allowing SGD to stop as soon as a prescribed accuracy is certified without sacrificing statistical validity. Our approach treats the evolving SGD trajectory as a sequential experiment whose observations provide evidence about the unknown optimization error. To formalize this perspective, we develop new recursive confidence-sequence techniques and a general time-uniform empirical Bernstein inequality for adapted processes with time-varying conditional means and predictable ranges that may grow without bound. We further extend these confidence-sequence constructions to minibatch SGD, with the empirical Bernstein bounds exploiting the realized second-moment structure within each minibatch. Numerical experiments show that the resulting stopping rules can require several orders of magnitude fewer iterations than natural deterministic horizons.
Read the full abstract

All authors Liviu Aolaritei, Lucas Lévy, Francis Bach, Michael I. Jordan

Machine Learning (Statistics)

Adaptive Regularization for Random Features: A Neighboring Early-Stopping Rule with Oracle-Rate Guarantees

Random feature methods provide a scalable approximation to kernel ridge regression (KRR), but the regularization parameter that yields the oracle learning rate depends on unknown smoothness and capacity parameters. In this work, we propose a neighboring early-stopping rule for adaptive regularization in KRR with random features (KRR-RF). The method uses a grid that is uniform in inverse regularization and compares only adjacent estimators, reducing the number of discrepancy comparisons relative to standard all-pairs Lepskii-type procedures. Both the neighboring discrepancy and its empirical complexity term can be computed directly in the random feature space, without constructing the exact kernel Gram matrix. We establish a high-probability comparison bound for neighboring KRR-RF estimators and show that, under standard source and capacity conditions together with suitable grid and random feature budget conditions, the selected estimator attains the oracle polynomial learning rate up to logarithmic factors. The result allows the regularization parameter to be selected without prior knowledge of the source and capacity exponents and covers both well-specified and partially misspecified regimes. Our analysis is based on an empirical random feature effective dimension that connects the observable stopping threshold with the population complexity of the random feature model. Simulation and real-data experiments illustrate the prediction performance and computational behavior of the proposed method in comparison with standard tuning procedures.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from stat.ME

Functional linear regression from sparse to dense designs: a pooling-ridge method and minimax optimality

Functional data analysis is an important statistical field that treats data as random functions. In practice, the random functions are often not fully observed but instead measured at discrete times. While simpler problems, such as mean and covariance estimation, have been widely studied for discretely observed data, optimal estimation of linear regression for this data type has remained unsolved for over two decades. To tackle this fundamental challenge, we propose a novel approach, referred to as pooling ridge estimation, which combines the advantages of pooling strategy and RKHS-based method by incorporating the unbiased estimation of operators based on discretely observed measurements from all subjects. This unified estimation framework enables us to achieve minimax optimality in prediction risk in arbitrary sampling schemes ranging from sparse to dense designs, for both scalar-on-function and function-on-function regression models. Such methodological and theoretical advances are obtained for the first time and accurately reveal the influence of discrete sampling. For scalar-on-function regression, the phase transition occurs once, separating the convergence behavior into two distinct regimes. Remarkably, for function-on-function regression, up to three phase transitions may occur, determined by the sampling frequencies of the predictor/response functions. Finally, simulation experiments and two real data examples provide empirical support for the proposed methods.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from math.OC

Schrödinger Bridges over Kinetic Swarming Models

Paradigmatic interaction models explain how collective behaviors can emerge in complex systems from interactions among the constituent agents. In bio-inspired swarms, however, interactions alone may not suffice to bring the population to a desired aggregate configuration within a prescribed time horizon, as needed in applications ranging from targeted therapy to collective transport and emergency evacuation. In the present work, we consider finite-horizon minimum-energy collective steering for inertial swarms that are subject to stochastic disturbances. We focus on the mean-field representations of these multi-agent systems driven by Cucker–Smale alignment or Morse attraction–repulsion interactions. Our objective is to steer the swarm between prescribed endpoint distributions using a state-feedback control, where the endpoint specifications can be full phase-space distributions (positions and velocities) or position marginals alone. Our formalism is rooted in the theory of Schrödinger bridges, which has inspired contemporary developments spanning statistical inference, biological modeling, stochastic control, and generative learning. Within the bridges framework, the uncontrolled interacting stochastic dynamics are viewed as a prior model, and the optimal control as the minimum-energy corrective drift needed to realize the prescribed distributions. We derive nonlinear, coupled necessary optimality systems with a time-symmetric structure reminiscent of classical Schrödinger bridges, and propose nested fixed-point schemes to numerically solve them. Numerical examples show that the obtained optimal control (corrective drift) can dynamically exploit or counteract the interaction forces, depending on whether the latter are favorable or adversarial to the steering task.
Read the full abstract

All authors Asmaa Eldesoukey, Md Zulfiqur Haider, Italo Napolitano, Yongxin Chen, Abhishek Halder

Machine Learning (Statistics) · Cross-listed from math.PR

Provable Non-Acceleration of Standard Strang Splittings of Kinetic Langevin Dynamics

The OBABO and BAOAB schemes and the other standard Strang splittings of kinetic (underdamped) Langevin dynamics are widely used Markov chain Monte Carlo algorithms. Under a suitable friction scaling, the underlying diffusion relaxes on a ballistic time scale, suggesting that these discretizations, suitably tuned, sample targets with condition number $\kappa$ in $O(\sqrt{\kappa})$ iterations. We prove that no fixed choice of step size and friction, based only on the curvature bounds and the dimension, achieves this acceleration: total variation mixing time lower bounds for OBABO show that ballistic cold-start mixing fails uniformly over the smooth strongly convex class, and the lower bounds extend, with the same orders, to BAOAB and the other four Strang splittings. The proof transfers non-acceleration from optimization to sampling. Eliminating velocity gives an exact noisy heavy-ball recursion, and by the non-acceleration theorem of Goujaud, Taylor and Dieuleveut, for every tuning either some Gaussian target has a mode with relaxation time at least of order $\kappa$, or an attracting cycle exists on a smooth potential; dilating such a potential as $U_R(x)=R^2U(x/R)$ preserves its curvature bounds and produces metastability for a number of steps exponential in $R^2$, from an initial state at Wasserstein distance $O(R)$ from equilibrium. Using contraction estimates of Leimkuhler, Paulin and Whalley and a Wasserstein-to-total-variation regularization estimate, we prove a complementary upper bound of $O(\kappa)$ steps, up to logarithmic factors, for a fixed-parameter OBABO tuning. Hence, among fixed-parameter OBABO tunings, the optimal condition-number dependence of cold-start total variation mixing over this class is linear, up to logarithmic factors. A direct Gaussian calculation also rules out fixed-parameter acceleration for the left-endpoint exponential integrator.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cs.DS

A General Framework for Metropolis-Adjusted Dikin Walks: Dimension-Square Mixing on Polytopes and Log-Det Walks on Spectrahedra

We analyze exact-metric, Metropolis-adjusted Dikin walks by keeping the proposal determinant and reverse quadratic form together. Their leading uncentered terms cancel in the complete logarithmic acceptance ratio, leaving centered fluctuations that can be controlled with second-order tools. For a polytope given by $n$ inequalities and a convex $L$-Lipschitz potential, this yields warm-start mixing in $\widetilde O((d^{2}+dL^{2}R^{2})\log(w/\delta))$ steps for the regularized Lee–Sidford walk. For a spectrahedron with $n\times n$ blocks, the log-det walk mixes in $\widetilde O((\psi^\star nd+dL^{2}R^{2})\log(w/\delta))$ steps, where $\psi^\star$ measures matrix leverage. The two analyses share an acceptance-to-mixing reduction. A proposal-comparison argument transfers the polytope bound to an appropriately padded $O(1/d)$-accurate metric computed from high-precision Lewis weights. For spectrahedra, given $\widehat\psi\ge\psi^\star$, a direct-or-two-seed TensorSRHT construction gives an exact-arithmetic implementation with $\psi^\star$ replaced by $\widehat\psi$ in the mixing bound.
Read the full abstract

Tuesday 25 August

Machine Learning (Statistics) · Cross-listed from physics.plasm-ph

Physics-Informed Neural Operator Surrogate for 2D Magnetohydrodynamic Reconnection

Direct numerical simulation of magnetic reconnection is limited by the scale separation of resistive magnetohydrodynamics. At large Lundquist numbers $S$ the current layer thins as $S^{-1/2}$, forcing fine grids and short time steps that make parameter scans prohibitively expensive. Deep learning neural operators offer an alternative by learning the map between function spaces rather than individual solutions, so that a single trained model returns the state for any parameter and time at inference cost. We have developed a Fourier Neural Operator (FNO) based Physics-Informed Neural Operator (PINO) surrogate for two-dimensional compressible, viscous, resistive reconnection in a wall bounded domain. We condition on the initial state, the Lundquist number, and a continuous query time. Predicting the magnetic flux function makes $\grad\!\cdot\!\bB=0$ exact, direct time queries remove autoregressive error accumulation, and parity-aware spectral differentiation matches the wall treatment of the reference solver. Trained across $10^{3}\le S\le2\times10^{5}$ with two values withheld, the surrogate recovers density, pressure, and guide field to better than $0.2\%$, velocity to $3.2$ to $3.9\%$, the flux function to $1.0\%$, and the spectral current density to $7.5\%$. It resolves the thin, narrow current sheet, Alfvénic jets, and spectral resolution beyond mode cutoff. Our surrogate reproduces the layer-averaged reconnection rate to within $3\%$ through $S=1.1\times10^{4}$, recovering a reconnection time exponent of $0.497$ consistent with Sweet-Parker scaling. When queried zero-shot on the $2049^{2}$ solver mesh, a full trajectory run is on the order of seconds on one GPU against several hours for the DNS, over two orders of magnitude faster, establishing learned operators as a practical route to surveying reconnection across parameter space.
Read the full abstract

Machine Learning (Statistics)

Rényi Tracking Bounds for Langevin Dynamics with Moving Targets

We study Langevin diffusion and Langevin Monte Carlo (LMC) when the target distribution changes over time. Under a log-Sobolev inequality (LSI), we derive non-asymptotic Rényi-divergence guarantees for tracking the current target. The framework covers continuous-time Langevin diffusion and its discretizations. We then apply the results to nonsmooth sampling based on successive Moreau envelopes. For this scheme, we give explicit choices of the smoothing parameters and step sizes, together with corresponding complexity bounds. To our knowledge, these are the first non-asymptotic Rényi-divergence tracking bounds for Langevin dynamics with discrete target updates.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from q-fin.CP

Asymptotically-informed neural networks for Black-Scholes implied volatility computation

The computation of Black-Scholes implied volatility is a fundamental task in quantitative finance, underpinning option valuation, model calibration and risk management. Although implied volatility is routinely used in practice, the inversion of the Black-Scholes pricing formula remains a challenging numerical problem, particularly in asymptotic regimes corresponding to extreme option prices, strikes or maturities, where the inverse map becomes highly sensitive to perturbations of the price. In this paper, we introduce a new family of asymptotically-informed neural-network architectures for implied-volatility computation. Exploiting the distinct behaviours of the Black-Scholes pricing function in different volatility regimes, we propose a family of architectures that learn a trainable partition of the price-log-moneyness domain through a system of gating functions and combines specialised local approximations of the implied-volatility function within each region. Extensive numerical experiments demonstrate that the proposed models consistently outperform standard feed-forward neural networks across a wide range of parameter domains, often by several orders of magnitude in relative accuracy while maintaining excellent generalisation properties. Furthermore, the neural-network outputs provide highly accurate initial guesses for a third-order Householder scheme, allowing near machine-precision implied-volatility computations after only two refinement iterations.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cs.LG

Representing MAX functions using two-hidden-layer ReLU networks

We study exact representations of $\mathrm{MAX}_N(x)=\max{x_1,\ldots,x_N}$ using two-hidden-layer ReLU neural networks. This problem has been studied in recent years in an attempt to characterize the exact number of hidden layers required to represent continuous piecewise linear functions. The best lower bound is 2, while the current upper bound is logarithmic in $N$. It remains completely open if the right answer is a constant number of hidden layers (possibly even 2!) or not. In fact, a recent breakthrough was the representation of $\mathrm{MAX}_5$ as a two-hidden-layer ReLU function obtained in [Bakaev et al., 2026], and the case of $\mathrm{MAX}_N$ was stated as open for $N\geq 6$ in that paper. Using a careful computer assisted search, we obtain two-hidden-layer ReLU representations of $\mathrm{MAX}_5, \mathrm{MAX}_6, \mathrm{MAX}_7$, and $\mathrm{MAX}_8$. We obtain these by considering rational linear combinations of terms of the form $\max\{\sum_{r=1}^{s}\max(x_{a_r},x_{b_r}),\sum_{r=1}^{s}\max(x_{c_r},x_{d_r})\}$, where $a_r,b_r,c_r,d_r\in\{1,\ldots,N\}$. Each inner maximum of two coordinates can be computed in a first hidden layer, and the outer maximum of the two side-sums can be computed in a second hidden layer. Consequently, every finite linear combination of these terms has a two-hidden-layer ReLU realization. An identity for $\mathrm{MAX}_N$ in this form therefore gives an exact two-hidden-layer ReLU representation of $\mathrm{MAX}_N$. Very recently, two-hidden-layer representations of $\mathrm{MAX}_N$ of the above form were obtained for all $N\leq 10$ in [Ruess et al., 2026]. Our representations are different and were developed independently. While our techniques share most of the high-level ideas presented in [Ruess et al., 2026], there are also some minor differences which may be of interest for future research on this problem.
Read the full abstract

Machine Learning (Statistics)

Minimax Alternating Regret for the Experts Problem and Online Convex Optimization

In this paper, we study alternating regret in online convex optimization (OCO), motivated by the success of alternating learning dynamics in two-player games. Although previous works have shown that $o(\sqrt{T})$ alternating regret is achievable under various assumptions on the loss functions and feasible domains, the minimax regret rate has remained open even for the expert problem. In this paper, we resolve this question by showing matching lower and upper bounds for both the expert problem and general OCO. Somewhat surprisingly, for the $d$-expert problem, we show that the minimax alternating regret is $\Theta(\log d)$, independent of the horizon $T$. This significantly improves upon the best-known $\mathcal{O}(T^{1/3}\log^{2/3} d)$ established by Hait et al. [2025]. We further extend our results to general OCO over a $d$-dimensional compact convex set and prove that the worst-case minimax alternating regret is $\Theta\left(d\log \left(1+\frac{T}{d}\right)\right)$, also significantly improving upon the best-known $\mathcal{O}((d\log T)^{2/3}T^{1/3})$ upper bound and resolving the open problem posed by Cevher et al. [2023], Hait et al. [2025]. Technically, our upper bound for the expert problem is achieved by a corrected variant of Hedge, in which carefully designed correction terms cancel the unfavorable curvature arising in the alternating-regret analysis. We extend the same corrected-potential argument to continuous action sets to obtain the optimal alternating-regret rate for OCO. For the lower bounds, the expert construction repeatedly eliminates half of the candidate experts, while the OCO lower bound instance construction replaces this discrete elimination by a more involved multiscale construction on the unit disk.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from math.OC

Barycentric Weak Inner-Product Gromov-Wasserstein

Gromov-Wasserstein (GW) compares distributions through relations within each space. This pointwise comparison can be too sensitive in one-to-many settings, where several target outcomes refine one source state and their mean carries the geometry of interest. We introduce a weak GW framework that compares source relations with relations between the target conditional laws induced by a coupling. For inner-product relations, we retain the conditional means $m_\pi(x)=\mathbb{E}_\pi[Y\mid X=x]$. The resulting barycentric weak inner-product GW (wIGW) satisfies $\mathrm{wIGW}_{\mathrm{bar}}^2(\mu,\nu)=\inf_{\eta\preceq_{\mathrm{cx}}\nu}\mathrm{IGW}^2(\mu,\eta)$. Here $\eta\preceq_{\mathrm{cx}}\nu$ means that $\nu$ is a mean-preserving spread of $\eta$. Thus wIGW searches for an intermediate target geometry that can be refined into the prescribed target law without changing conditional means. Under finite second moments, minimizers exist and martingale gluing recovers an optimal coupling. With ridge regularization, moment duality gives an $A$-$B$ min-max problem whose inner step is weak optimal transport with a quadratic cost parameterized by $A$ and $B$; the outer problem optimizes these matrices. For finitely supported measures, we give an iterative algorithm. Under a quantitative ridge condition, the reduced problem is convex–concave, and the projected outer iteration satisfies an explicit contraction bound for inexact inner solves. Point cloud and graph feature refinement experiments illustrate how mean-preserving target refinements can have zero cost. A paired peripheral blood mononuclear cell (PBMC) multiome study evaluates atlas based cell type transfer through RNA/ATAC alignment in cell to cell and prototype to cell settings, with the prototype to cell setting representing the one-to-many case.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cs.LG

Toward Machine Learning with the Unit as a Primitive: Learning from Unit-Linked Events

Machine learning is usually formalized through samples, while the persistent individual to which multiple observed or possible events refer often remains implicit. We propose the unit as an explicit primitive at the level of task semantics. A learning task first declares a population of persistent referents and a sameness criterion; the realized value $u$ denotes the selected referent. Supervised learning is the main formal specialization. Its semantic object is a family of unit-conditioned response laws. Homogeneity is the special case in which those laws coincide; a sample-only conditional is silent as to whether the world is homogeneous or the observed law is only the marginal of a heterogeneous family. What is learned from data is a pair $(T_\phi,R_\theta)$: a tokenizer that produces a contextual unit token and one shared response-law form that reads it. The structured class takes that form to be a simple relation in the token; a linear predictor is the running instance. The token is the learner-side representation through which the task-side unit affects prediction, while a learner specification that omits unit information is unit-insensitive; homogeneity remains a property of the world-side response family. When identity is unresolved, the world-side law mixes unit-conditioned targets, while the learner composes its shared form with a token. A trusted resolver may fix the unit and supply a lookup token; otherwise unit abduction forms a token of the same type from factual evidence. Unlinked single-row observations can fail to distinguish a heterogeneous unit world from a homogeneous pooled world; trusted same-unit pairs separate a restricted witness. The formal results concern this supervised specialization.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cs.LG

GRAPE: Gradient Refinement and Progress-Aware Exploitation for Query-Efficient High-Dimensional Bayesian Optimization

Optimizing expensive, high-dimensional black-box functions remains a central challenge in modern machine learning and scientific discovery. While local Bayesian optimization mitigates the curse of dimensionality, existing techniques often prioritize the probability of descent over the magnitude of progress. This leads to overly conservative steps that yield negligible improvement, wasting queries on directions that are nearly certain to descend but offer little decrease. We introduce Gradient Refinement and Progress-Aware Exploitation (GRAPE), a two-stage framework that first sharpens the local gradient posterior via a closed-form acquisition function, then selects update directions by maximizing the expected decrease conditional on descent. Theoretical analysis proves that this gradient refinement stage monotonically minimizes local uncertainty and that the progress-aware direction converges to true steepest descent as the posterior sharpens. Empirically, GRAPE demonstrates superior query efficiency across high-dimensional tasks: in black-box adversarial attacks, it achieves an average 5.4$\times$ speedup over baselines, and on large language model prompt optimization tasks, it outperforms the second best method by a reduction of 3.8 log-units in the final average regret.
Read the full abstract

Machine Learning (Statistics) · Cross-listed from cs.LG

NVExplain: Explaining Time Series Forecasting with Latent Trajectory Analysis and Structure-Preserving Surrogates

Time series forecasting models are widely used in high-stakes settings, yet their predictions remain difficult to interpret because existing post-hoc methods often ignore temporal dependence and fail to provide horizon-specific explanations. We propose a model-agnostic explainability framework that explains forecasting predictions by attributing each forecast horizon to temporally relevant historical lags. The framework models forecasting as a latent trajectory and introduces semantic flow to quantify how information evolves across time in the model's internal representations. By aggregating semantic flow, it constructs a lag-horizon attribution matrix that captures horizon-resolved temporal influence. To improve explainability, we further generate structure-preserving perturbations and fit sparse local surrogate models, producing human-readable and temporally coherent explanations. We evaluate the method using faithfulness and stability diagnostics across multiple benchmark datasets. Results show that the semantic-flow variant achieves competitive or superior faithfulness compared to standard post-hoc baselines, while being substantially more computationally efficient. Stability analysis further demonstrates that the explanations are robust and identifies regimes where interpretation should be applied with caution.
Read the full abstract