Machine Learning (Statistics) · Cross-listed from cs.IT
Mutual Information Constrained Chernoff Bottleneck
Dier Tang and Guangyue Han
The classical information bottleneck (IB) measures the relevance of a representation $U$ of $X$ to a target $Y$ by $I(U;Y)$, which does not directly characterize the error of downstream decisions. For a binary hypothesis $Y$ inferred from many separately encoded observations, the optimal error exponent is the Chernoff information between the two conditional distributions of $U$ given $Y$. We study the mutual information constrained Chernoff bottleneck, which seeks an encoder that maximizes this Chernoff information subject to a rate constraint $I(U;X) \leq R$. We show that its optimal value $C(R)$ increases strictly up to $R = H(V)$, where $V$ merges the symbols of $X$ with equal likelihood ratio, remains at the uncompressed exponent beyond, and, unlike the IB curve, need not be concave. We further show that $k+1$ outputs suffice to attain $C(R)$, where $k$ is the cardinality of $V$. We propose an alternating
algorithm that updates the encoder via a generalized Blahut–Arimoto
algorithm and the Chernoff parameter $s$ via a nonlinear equation, and prove that its iterates remain feasible, with nondecreasing and convergent Chernoff information. Numerical experiments confirm the theory, and on real topic-detection data from the 20 Newsgroups corpus, compressing each word to only $17\%$ of its
entropy retains $90\%$ of the error exponent and nearly the accuracy of the uncompressed classifier.
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Machine Learning (Statistics) · Cross-listed from physics.flu-dyn
A shape-similarity latent space for fluid interfaces: invertible reduced-order modelling of droplet morphology
Ali R. Hashemi, Mohammad R. Hashemi and Pavel B. Ryzhakov
A droplet breaks up in tens of microseconds, and a recording captures perhaps a dozen frames. The states in between cannot be recovered without repeating the experiment, and simulating them is too costly to sweep an operating envelope. Yet they are present in the corpus as a whole: a campaign spanning a device's actuation range produces morphologies resembling those any single recording missed. Exploiting that requires a representation that is low-dimensional, invertible, and faithful to shape rather than to sampling. Proper orthogonal decomposition supplies the first two but measures distance in sampled coordinates;
manifold learning supplies the third but no map back to a shape; elastic shape analysis supplies a shape metric but no reduced coordinates. SHROM composes all three. Interfaces are represented by their square-root velocity functions, a neighbour graph is built over that shape space, and an autoencoder is trained to reconstruct while penalising latents in which graph neighbours are not latent neighbours. The demonstration uses 301,539 inkjet droplet contours and four filmed break-up sequences. The graph term does not improve reconstruction. It determines whether position in the latent carries meaning: clustering the latent of an otherwise identical model recovers the shape-space partition at chance level (ARI = 0.063 +/- 0.059), and at 0.781 +/- 0.049 with the term active. Waveform parameters predict the full contour at R^2 = 0.878 +/- 0.026. Negative results are reported in the same terms. The graph metric proved immaterial across five choices, and interpolation error saturates at the reconstruction limit, so a plain autoencoder leads that task. The main limitation is interpolation across a
topology change: no component of the regularised latent holds both a single-component and a post-break-up shape, whereas an unregularised autoencoder mixes them freely.
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Machine Learning (Statistics)
Identifiability Guarantees for Drivers and Dynamics of Delayed Physical Systems
Julien Boussard, Antoine Debouchage and Théo Saulus
A wide range of methods have been proposed, including physics-informed neural networks, which are powerful but do not guarantee identifiability of the dynamics, symbolic regression, which requires a set of precomputed operations, and causal discovery, which is more principled but usually relies on strong assumptions that physical systems may violate. In this work, we develop a theory-grounded method and prove that under a set of permissive assumptions, the structural drivers and drift of
stochastic delayed differential equations are identifiable. Our method outperforms others on a
benchmark for driver identifiability, and on a second
benchmark to evaluate physical consistency of the learned dynamics.
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Machine Learning (Statistics)
Post-Anomaly Detection Inference for Deep SVDD
Cao Le Cong Thanh, Dang Quang Vinh and Vo Nguyen Le Duy
Deep Support Vector Data Description (Deep SVDD) has become a prominent framework for unsupervised anomaly detection by learning latent representations that compactly characterize normal data around a center. Despite its empirical success, anomaly decisions produced by Deep SVDD are typically made solely based on anomaly scores without rigorous statistical guarantees, thereby limiting their reliability in safety-critical and high-stakes applications where false positives must be strictly controlled. In this paper, we propose PADI (Post-Anomaly Detection Inference), a novel framework that equips a trained and frozen Deep SVDD detector with statistically valid inference by leveraging the Selective Inference framework. Specifically, PADI performs inference conditional on the event that a test instance is identified as anomalous by Deep SVDD, thereby enabling rigorous statistical assessment of anomaly decisions. Based on this formulation, we derive valid selective p-values that quantify the statistical significance of the detected anomaly. Using these p-values, we theoretically establish control of the false positive rate (FPR) at a user-specified significance level $\alpha$ (e.g., $\alpha=0.05$). Furthermore, we extend the proposed framework to Deep Semi-Supervised Anomaly Detection (Deep SAD), providing a principled approach for statistically reliable inference in semi-supervised anomaly detection settings. Extensive experiments on both synthetic and real-world
benchmark datasets robustly support the theoretical findings. The results demonstrate that PADI consistently achieves proper FPR control while attaining superior true positive rates compared with existing approaches.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Search Dimension in Unlabeled Projection Pursuit: A Scaling Law for Subspace Restriction
Rares Dimitrie Grozavescu and Mark Girolami
Projection pursuit searches for a direction along which the data look least Gaussian. When the observation space contains a large Gaussian complement, the empirical objective can be minimized by a direction that carries no signal, with empirical kurtosis as low as at the truth. Sample splitting exposes rather than repairs this failure. Appending coordinates independent of the latent regime degrades the search while leaving Bayes recoverability unchanged. Restricting the search to the column space of a known forward operator removes the failure exactly on the negative-kurtosis branch. Estimating a principal subspace from the data is the alternative. In a controlled two-component model, the leading sufficient scalings differ in the gain with which the operator transmits the discriminant: $\varsigma^{-4}$ for covariance-spike estimation and $\varsigma^{-8}$ for fourth-moment search. At fixed search dimension, the measured threshold ratio collapses onto $n/p^2$ with exponent $0.156$, close to the predicted $1/8$. This is an empirically supported scaling motivated by sufficient bounds, not a proved asymptotically tight law. When the search dimension is varied, the measured exponent is $0.325$, substantially larger than $1/8$, and the tested range does not identify its functional form. The crossing location also depends on calibration and model configuration. Under a downstream excess-error criterion, the scaling largely disappears.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Counterfactual Probing for Parallel Unmasking with Hidden Forest Structure
Ryotaro Kawata, Satoshi Hayakawa and Taiji Suzuki
Masked generative models offer parallel
token prediction, but accurate parallel sampling must account for dependencies among
tokens. When dependencies are unknown, finding safe batches also costs model evaluations. We study whether total evaluations, including discovery, can be sublinear in sequence length $N$; sublinear sequential depth then follows. We consider discrete distributions with hidden forest structure, accessed through a fixed approximate conditional oracle. Under explicit regularity conditions and uniform Hellinger error bounds, for any fixed target accuracy $\varepsilon\in(0,1/8]$ and sufficiently large $N$, our sampler achieves seed-averaged total-variation error at most $\varepsilon$, with total masked-state submissions and sequential depth both bounded by $\widetilde{O}(N^C \varepsilon^{-a})$ for constants $0<C<1$ and $a>0$. These guarantees use
polynomial vocabulary size and an edge-response lower bound set by $N$ and $\varepsilon$. The sampler shares evaluations of hypothetical reveals across dependence tests to identify safe parallel batches without requiring full recovery of the hidden forest. A tunable parameter trades probing cost against irreversible commit rounds. In the same class, any admissible irreversible product-commit sampler attaining the same seed-averaged accuracy requires $\Omega(N^c \varepsilon^b)$ counterfactual submissions or commit rounds in the worst case, for constants $c,b>0$.
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Machine Learning (Statistics) · Cross-listed from stat.ME
When Noise Estimation Hides Basis Misspecification in Repeated Bayesian Inverse Problems
Rares Dimitrie Grozavescu and Mark Girolami
Basis-restricted priors in
Bayesian inverse problems can lose coverage when the truth has components outside the basis. We show that estimating the observation-noise variance can hide this loss. Under a linear forward model, when the in-span prior variance dominates the noise, the maximum-likelihood noise estimate absorbs the out-of-basis energy in the complement of the model range. Residual-magnitude and observation-coverage checks then stay near nominal while field coverage falls. We study repeated problems sharing one forward operator and one basis, fixed independently of the tested data. After projection onto the complement, and conditionally on the fitted noise scale, every exact test is a test of the scale-free direction of the residuals. We test the shape of their sample spectrum with John's sphericity statistic. Under Gaussian noise its null model is exact at finite sample size, and we derive its null mean and its power at proportional dimension. On synthetic problems and in a preregistered GEBCO topography study, the test detects structured out-of-basis variation that cross-validation and observation-coverage checks largely miss. It cannot detect Gaussian out-of-basis variation that is isotropic in the complement, since that is indistinguishable from a change of noise scale.
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Machine Learning (Statistics) · Cross-listed from stat.ME
SPARK: A General Goodness-of-Fit Assessment via Residual Projection
Xingwei Liu, Yuhong Yang and Wangli Xu
Goodness-of-fit testing is a basic tool for assessing whether a fitted procedure has captured the systematic information contained in the
covariates. While traditional theory has largely focused on parametric regression models, modern data analysis increasingly relies on flexible black-box learners, whose predictive success alone is insufficient to assess model accuracy. In this paper, we propose SPARK, a general framework for goodness-of-fit testing that applies to traditional statistical models and general black-box learning procedures, continuous and binary responses, and low- and high-dimensional predictors. Based on a debiasing strategy, the residuals from an initial fit of a learning procedure are projected onto nearly orthogonal directions to extract any remaining signal. To capture information across all projection directions, we propose a kernel-based projection method and establish both its asymptotic properties and the consistency of a bootstrap procedure. Comprehensive simulations and real data analyses illustrate the effectiveness and flexibility of our proposed method.
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Machine Learning (Statistics) · Cross-listed from math.NA
The double descent and Runge phenomena in overparametrized polynomial interpolation
Jason Wein and Stephan Wojtowytsch
The Runge phenomenon in
polynomial interpolation is often considered a classical analogue of the double descent phenomenon in machine learning. In this note, we explore overparameterized
polynomial interpolation in three popular
polynomial bases: Monomial, Chebyshev and Legendre basis with coefficients that are minimal in the $\ell^2$-norm (and, for the monomial basis, also those minimal in the $\ell^1$-norm). We present our results primarily for equidistant and Chebyshev data points, but many results are independent of the exact form of sampling.
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Machine Learning (Statistics)
A Finslerian Approach for Embedding Directed Data
Gwendal Debaussart-Joniec, Théau Blanchard and Argyris Kalogeratos
Many
datasets carry an intrinsic directionality: citations point backward in time,
cells differentiate along lineages, and traffic follows preferred routes. Spectral
embedding methods, including most of their extensions to directed graphs, discard this information: they symmetrize the data and map it into a Euclidean space where asymmetry cannot be represented. We instead model directed data as sampled from a Finsler
manifold, whose distance depends on the direction of travel, and study the kernel operator built from this asymmetric distance. Through a moment expansion of this operator, we show that its symmetric and antisymmetric parts separate geometry from direction. As the bandwidth of the kernel vanishes, the symmetric part converges to a weighted
Laplacian, recovering
diffusion maps in the Riemannian case, while the antisymmetric part converges to a first-order transport operator that encodes the directionality. We prove that the corresponding graph operators, built from finitely many samples, converge uniformly and almost surely to these limits. For Randers metrics, this vector field is explicit and yields an
embedding algorithm recovering both the
manifold structure, from the spectrum of the symmetric part, and the underlying drift. We illustrate the approach on synthetic directed graphs and point-clouds.
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Machine Learning (Statistics) · Cross-listed from cs.LG
RLTL;DR: Self-improvement by Internalizing Self-generated Feedback
Michael Kirchhof, Eleonora Gualdoni, Andrew Szot et al. (+6 more)
The common paradigm of reinforcement learning with verifiable rewards (RLVR) is to let
agents make multiple attempts at a task, and optimize towards the successful ones. This becomes problematic in the realms of self-improvement, where tasks are so difficult that the
agent has a low or even no chance of success, and where there are no teacher models or example solutions to distill from. In this paper, we introduce RLTL;DR. After each failed attempt, we show the policy the verifier outputs and let it write its own feedback, in the form of a single TL;DR insight. The next rollout is conditioned on all previous insights, and we sequentially sample rollouts until a solution is found. Moreover, we enable backpropagation on the in-context insights to internalize a direct task to insight mapping. On challenging tool-calling and coding
datasets (filtered to Pass@128=0), standard GRPO training of a Qwen 3.5 9B Thinking policy stays flat at a Pass@1 of 0% to 1%. RLTL;DR breaks through this learning barrier, achieving a Pass@1 of 14-31% with insights in context during training and, crucially, 12-13% when no insight is in context at eval time. We identify that the key is the task to insight internalization. To study this further, we reduce our approach to SFTL;DR, training only on (task, insight) tuples, without showing or backpropagating on any rollouts. Training on only 4k of these tuples recovers almost the full performance of RLTL;DR and classical SFT on full rollouts. This demonstrates a promising compacted training paradigm of the form "on this sort of task, keep this sort of thing in mind", which we hope to inspire future research on.
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All authors Michael Kirchhof, Eleonora Gualdoni, Andrew Szot, Khashayar Gatmiry, Aryo Lotfi, Abbas Kazerouni, Omar Attia, Sanjoy Chowdhury, Alexander Toshev
Machine Learning (Statistics) · Cross-listed from cs.AI
XU-RS: Explaining Credal Width in Random-Set Language Models
David Achara, Maryam Sultana, Alexander D. Rast et al. (+1 more)
Uncertainty estimates tell us how unsure a model is, but not why. Without knowing which parts of an input influences a model's uncertainty, we cannot tell whether that uncertainty score depends on input features that are relevant for the task. We study this problem in randomset classifiers built using pretrained
language models. These classifiers assign probability to individual answers and to groups of answers, producing lower and upper probabilities for each answer; The difference between these probabilities, called credal width, is used to represent epistemic uncertainty about an answer arising from limited training data. We propose XU-RS, a framework that attributes an answer's credal width to the input
tokens (words or word pieces) supplied to a
language model. XU-RS uses Expected Gradients (a standard feature attribution method) to estimate how input
tokens contribute to credal width. The proposed framework is evaluated on a MedQA
dataset using SmolLM3-3B and Llama-2-7B models, demonstrating that setting the
embedding of a
token ranked highly by XU-RS to zero (zero-masking) causes larger changes in credal width than zero-masking randomly selected
tokens. In addition, we show that normalisation can cause other answer groups to influence an answer's width, reveal how
token attribution can mask numerical errors, and provide diagnostic checks to verify whether a
token ranked highly by XU-RS meaningfully explains model uncertainty.
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All authors David Achara, Maryam Sultana, Alexander D. Rast, Fabio Cuzzolin
Machine Learning (Statistics)
Ornstein-Uhlenbeck Is Hard to Beat, Yet Superlinear Drift Ships Lower Transport Costs
Attila Lovas and Lóránt Nagy
Brešar and Mijatović \cite{bresar2025} show that Ornstein–Uhlenbeck
diffusion is hard to beat in forward convergence under assumptions that exclude superlinear drift. We instead test superlinear Langevin
diffusions for score-based image generation, computing their conditional scores numerically from a Fokker–Planck equation. In our experiments, the superlinear models beat the Ornstein–Uhlenbeck baseline on empirical Wasserstein distance across nearly the entire tested grid and show less variation across
diffusion horizons. The “hard to beat” verdict of \cite{bresar2025} thus fails to be universal.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Why Adaptive Optimizers Underestimate Rare Tokens
Sangsidhya Kar
In the softmax output layer, a rare
token receives a small positive logit gradient on most steps and a much larger negative gradient on the few steps when it is the target. SGD simply adds these contributions. Coordinate-wise adaptive methods such as Adam, RMSProp, and sign descent instead divide each update by a running estimate of its magnitude, and that estimate is largest immediately after the
token appears. This imbalance has two effects. At the level of the whole output layer, we characterize which optimizers preserve the mean output
embedding: every method whose update is linear in past gradients does, as do Kronecker-factored and orthogonalized methods such as Shampoo and
Muon. Adam, Adafactor, Lion, and sign descent do not, and for these methods we obtain an exact step-by-step expression for the change. At the level of an individual rare
token, the same normalization shifts the training fixed point. In the unigram model, sign descent lowers the logit of every
token that occurs in fewer than half of the minibatches at a constant expected rate. For RMSProp with periodic arrivals, we can solve the fixed point in closed form: if a
token is absent for at least two consecutive minibatches, its
equilibrium probability is strictly below its data frequency for every learning rate, and the ratio tends to $\kappa/(2(e^{\kappa/2}-1))$. Here $\kappa$ is the mean number of steps between occurrences divided by the second-moment time constant $1/(1-\beta_2)$. In the same model, SGD and AMSGrad retain the unbiased fixed point. We test these predictions both in a unigram model and in a small
language model trained from a known generating distribution. With random arrivals, the bias is larger than the periodic formula predicts; in the
language model, the optimizers with the biased fixed point also fit the generating distribution less well.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Physical Muon: Orthogonalization as an Equilibrium Computation
Yuren Hao
Physical neural networks and analog in-
memory computing could reduce the energy cost of neural network training. Realizing this potential, however, requires optimizers that combine effective learning with physical implementability. SGD fits local analog updates but struggles on
transformers, while Adam family is unstable against analog bias.
Muon offers strong training performance, but its Newton–Schulz orthogonalization relies on dense
matrix-
matrix products. To address this obstacle, we introduce Physical
Muon, which computes the orthogonalization as the
equilibrium of a continuous-time flow. Random probes approximate the flow using
matrix-vector products, reciprocal reads, and local rank-1 writes. To test whether this replacement preserves training performance, we evaluate it on a 10.95M-parameter
transformer. The dense flow's mean validation cross-
entropy is 0.0085 above Newton–Schulz across nine seeds per method; the probe implementation is 0.0188 above the control across two seeds.
Circuit simulations further reproduce the flow dynamics and yield comparable training behavior.
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Machine Learning (Statistics) · Cross-listed from math.OC
A stochastic subgradient method with optimal failure exponent
Bart P.G. van Parys
Fix a target accuracy $\varepsilon$, a gradient-noise level $s$, and a horizon $N$. We wish to design
algorithms which minimize the probability of observing a suboptimality gap which exceeds the target accuracy, i.e., $\mathcal{E}_N = -\log \sup_{f,P} \mathbb{P}_P(f(x_A) - f_\star \ge \varepsilon)$, with the noise law $P$ known only to be sub-Gaussian. We single out a uniformly averaged schedule which is harmonic (of the form $h_k = R^2/(\varepsilon (N+m-k))$) and prove, via an optimized exponential supermartingale argument, that it attains the optimal exponent $\mathcal{E}_N^\star = \varepsilon^2 N (1+o(1))/(2R^2 s^2)$. Optimality is certified by a matching impossibility result: under Gaussian noise, a gradient-masking change of measure caps the exponent of every
algorithm at the same leading order. In a small-noise limit, our setting degenerates into the
adversarial-error model of Gösgens and van Parys (2025) for subgradient methods.
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Machine Learning (Statistics) · Cross-listed from cs.LG
High-Dimensional Simulation-Based Inference in Latent Spaces
Lars Kühmichel, Stefan T. Radev, Bhanu Prasanna Koppolu et al. (+3 more)
Neural simulation-based inference (SBI) has been widely successful in inferring a relatively small number of interpretable parameters from potentially high-dimensional observations, such as images or time series. Accordingly, representation learning in SBI has focused almost exclusively on compressing the observations used to condition the posterior. More recently, however, SBI has begun to target increasingly high-dimensional parameter spaces, raising the complementary question of whether the inference target itself should be compressed. Our answer is a practical merger of SBI and latent generative modeling, which learns a low-dimensional representation of the simulator parameters, performs posterior inference directly in this latent space, and maps posterior samples back to the original parameter space. We characterize the conditions under which latent-space inference recovers the desired target posterior and systematically study its empirical trade-offs. Across four case studies and three generative families, we compare latent and standard
estimators while controlling for network capacity, regularization, optimization, and training compute. At matched training compute, latent-space inference achieves accuracy and marginal calibration comparable to direct target-space inference while sampling up to more than an order of magnitude faster.
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All authors Lars Kühmichel, Stefan T. Radev, Bhanu Prasanna Koppolu, Masoumeh Davoudi, Jerry M. Huang, Paul-Christian Bürkner
Machine Learning (Statistics) · Cross-listed from cs.LG
A Sharp Transition in Data Reconstruction under Differential Privacy
Max Cairney-Leeming, Simone Bombari and Marco Mondelli
Data reconstruction attacks have empirically been successful in recovering training samples from learned models, raising
privacy concerns and motivating defenses with guarantees that remain valid against future threats. While differential
privacy (DP) provides formal protection, choosing the
privacy budget remains a challenge: small budgets severely reduce utility, but it is hard to quantify how large the budget can be without allowing accurate reconstruction. In this work, we study informed attackers who aim to reconstruct a single $d$-dimensional training sample from a $\rho$-zero-concentrated DP model, knowing all other training data. Our main contribution is to establish a sharp transition at $\rho \asymp d$ for data reconstruction: on the one hand, we derive
entropy-based lower bounds for any private mechanism and any attack, characterizing a set of target priors for which reconstruction is information-theoretically impossible for $\rho \ll d$; on the other hand, we analyze a simple attack on private linear regression with output perturbation, showing that reconstruction is practically feasible for $\rho \gg d$. Remarkably, the transition moves to $\rho \asymp s$ for data lying in an $s$-dimensional subspace, demonstrating that the
privacy budget guaranteeing adequate protection must be assessed in terms of the effective dimension of the data. We validate our findings via experiments on synthetic data and natural images (CIFAR-10, ImageNet).
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Machine Learning (Statistics) · Cross-listed from cs.LG
Interacting particle guidance for sampling reward-tilted generative priors
Adhithyan Kalaivanan, Zheng Zhao, Jens Sjölund et al. (+1 more)
Inference-time steering adapts pretrained
diffusion and flow-based models to new tasks, e.g., to generate samples from a conditional distribution or samples with desired properties, without retraining. This can be formalized as sampling from a reward-tilted generative prior. As exact sampling from this distribution is intractable, guidance-based methods rely on approximations producing biased samples, and sequential Monte Carlo (SMC) methods correct for this bias using importance weights. However, while exact in the large particle limit, SMC suffers from weight degeneracy and particle collapse in practice. We propose interacting particle guidance (IPG), which replaces reweighting with transport. The particles interact through an additional drift, derived from the Feynman–Kac PDE to cancel the reweighting term, and remain unweighted. Choosing the drift in a reproducing kernel
Hilbert space yields a closed-form solution that is cheap to compute, with negligible overhead compared to SMC. We demonstrate the method on Gaussian mixtures with known posteriors, and on high-dimensional image inpainting and
protein structure inference tasks.
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All authors Adhithyan Kalaivanan, Zheng Zhao, Jens Sjölund, Fredrik Lindsten
Machine Learning (Statistics) · Cross-listed from cs.LG
Pointwise or Pairwise: When Do Pairwise Losses Help Reward Learning, Provably?
Junghyun Lee, Minsoo Ha, Sanghwa Kim et al. (+4 more)
Pairwise losses are increasingly used for reward learning even when pointwise rewards are observed, with mixed empirical results. When and why do pairwise losses outperform pointwise losses? We study this question in a grouped offline contextual-bandit setting allowing multiple actions per context, capturing many reward learning scenarios. We compare Value Regression (VR), which regresses observed rewards pointwise, with Value Difference Regression (VDR), which regresses reward differences between a pair of actions sampled under the same context. We consider a semiparametric model where the mean reward is the sum of a learnable action-dependent component and an arbitrary context-dependent yet action-independent nuisance, capturing context-specific disturbances. Using a unified localized analysis, we prove finite-sample regression guarantees for finite and linear function classes and translate them into offline-regret bounds. For finite classes, VDR eliminates the misspecification term in the VR bound and improves a reward-scale-dependent error term by averaging over actions within each context, a benefit absent from the corresponding VR term. For linear classes, neither method uniformly dominates: within-context differencing removes nuisance-induced bias but may increase estimation variance relative to using absolute rewards when the misspecification is sufficiently low. This yields a feature geometry-dependent bias-variance tradeoff, which we corroborate with numerical experiments.
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All authors Junghyun Lee, Minsoo Ha, Sanghwa Kim, Yeongjong Kim, Eunjee Lee, Seiyun Shin, Kwang-Sung Jun
Machine Learning (Statistics) · Cross-listed from cs.LG
Interpretable intrinsic dimension estimation through componentwise calibration of distance and angle
Chih-Hsuan Huang, Chih-Wei Chen and Szu-Chi Chung
DANCo (Dimensionality from Angle and Norm Concentration) jointly calibrates nearest-neighbor distance and angular statistics and consistently reaches state-of-the-art accuracy on clean intrinsic-dimension (ID)
benchmarks. Practical data, however, introduce neighborhood-relative noise and sample-amplitude heterogeneity that can distort these
geometric signals. We reformulate DANCo componentwise, retaining separate distance and angular discrepancy curves so that the source of an estimate can be identified and interpreted. For the distance component, we derive a closed-form Kullback-Leibler divergence for the generic-order ratios of the generalized ratios ID
estimator (Gride); when both angular parameters are matched (Full), Gride reduces mean percentage error from $27.7\%$ to $17.6\%$ at noise equal to $40\%$ of typical neighbor spacing on 24
manifolds. For the angular component, two sampling regimes motivate aligning mean direction while retaining concentration matching (Profiled). On a Gaussian scale mixture with generating dimension 70 embedded in 100 dimensions, profiling raises the Minimum Neighbor Distance (MiND) estimate from $22.8$ to $66.7$, while removing the known amplitudes restores MiND-Full to $71.9$; the control thus attributes the Full shortfall to amplitude heterogeneity. On CIFAR-10 and ImageNet, amplitude-reducing normalizations move angular location toward the references and narrow the Full-Profiled gap, an observational counterpart to the controlled mixture. Across four pretrained convolutional neural networks, Gride-Profiled, the two-nearest-neighbor
estimator (TWO-NN), and the maximum-likelihood
estimator (MLE) exhibit similar rise-and-fall profiles, while Full-Profiled differences identify the layers most sensitive to angular calibration.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Identifying ODEs from Unstructured Data with Causal Representation Learning
Alessandro Trenta, Riccardo Massidda, Davide Bacciu et al. (+1 more)
We study the problem of recovering the governing ODE of a dynamical system from unstructured, high-dimensional observations such as images. Existing methods for ODE discovery typically assume direct measurements of the variables, or do not provide theoretical guarantees on the learned variables and equations. While Causal Representation Learning (CRL) methods provide guarantees on identifying variables from high-dimensional observations up to component-wise diffeomorphisms, we show that in general these variables cannot be used directly as input to equation discovery methods, which typically assume that the variables will lead to sparse equations. So we introduce SParse Equivalent Equation Discovery AutoEncoder (SPEED-AE), a framework that combines a pretrained CRL method with a component-wise autoencoder that learns transformations of variables that are amenable to sparse ODE discovery. We show that for
polynomial ODEs, this additional step allows us to restrict the identifiability of each variable from
polynomial to monomial diffeomorphisms. Experiments on Lotka-Volterra, Lorenz, and a two-pendulum system show that SPEED-AE improves on the disentanglement of the CRL methods and that it recovers ODEs that are closest to the ground truth, while achieving state-of-the-art forecasting performance.
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All authors Alessandro Trenta, Riccardo Massidda, Davide Bacciu, Sara Magliacane
Machine Learning (Statistics) · Cross-listed from cs.LG
Iterative Exact Discrete Guidance for Energy-Based Sampling
Yuwen Qian, Yidong Ouyang, Zhengyan Wan et al. (+1 more)
Sampling from unnormalized distributions over large discrete state spaces becomes difficult when a
multimodal target is far from a tractable reference. We introduce Iterative Exact Discrete Guidance (IEDG), a population-exact, trajectory-wise guidance framework for unnormalized discrete targets. Rather than learn the full reference-to-target correction in one step, IEDG introduces a global Boltzmann tilt along an annealing trajectory. Each stage learns a stage-local posterior correction for an incremental Boltzmann tilt of the current source, while the resulting corrections are accumulated relative to a fixed analytic posterior. At the population optimum, exact stage posteriors recover the correct reverse dynamics, whose exact simulation reproduces the target distribution. IEDG chooses stage increments by relative effective sample size (rESS), which controls Rényi-2 displacement and locally adapts the step size to the thermodynamic geometry of the annealing path. Our stagewise total-variation analysis shows that limited overlap amplifies Bregman fitting error by $1/\sqrt{\mathrm{rESS}}$, while posterior, simulation, and truncation errors enter additively. IEDG improves all distribution-level errors over the neural baselines on ordered, exactly enumerated Ising $4\times4$, while substantially reducing one-shot errors on Ising/Potts $16\times16$ across thermodynamic regimes and attaining the best neural-sampler result on several reported local-statistic and phase-coverage metrics. On Max-Cut, its best-of-512 and average-sample ratios exceed all the baselines. Code and artifacts are available at https://github.com/StillFantasy123/iterative-exact-discrete-guidance.
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All authors Yuwen Qian, Yidong Ouyang, Zhengyan Wan, Hongyuan Zha
Machine Learning (Statistics) · Cross-listed from cs.LG
Scalable Diffusion SBI for Compositional Inference under Simulator Misspecification
Vincent D. Zaballa and Elliot E. Hui
Simulation-based inference is challenging when many heterogeneous observations must be composed, hierarchical latent structure must be preserved, and the simulator is misspecified relative to observed data. We develop sampling and fine-tuning methods for
diffusion-based inference in design-conditional settings, where the same simulator is queried across different experimental conditions $\xi$. We extend compositional score-based inference with a continuous-time
diffusion coefficient that accounts for the number of observations, avoiding Jacobian and auxiliary-covariance corrections. We introduce Hierarchical Blockwise
Diffusion Sampling (HBDS), which infers shared parameters and group-specific latent states using a single pretrained model, with the hierarchy specified only at sampling time. Together, these methods support variable observation sets and groupings without retraining. To address misspecification, we introduce path-regularized fine-tuning that adapts the learned likelihood to observations and transfers corrections to posterior inference. Using Girsanov's
theorem, we quantify path divergence between pretrained and fine-tuned models across experimental designs and interpret it alongside predictive errors to distinguish candidate misspecification correction from unnecessary adaptation. We evaluate compositional sampling on exact-score Gaussian and Simple Likelihood, Complex Posterior
benchmarks, HBDS with analytic and learned scores on a controlled hierarchical model, and fine-tuning and localization on a separate analytic model with known design-dependent discrepancy. Finally, we apply the framework to 940 measurements across four
cell lines in a mechanistic Bone Morphogenetic
Protein signaling model, where fine-tuning improves posterior-predictive accuracy relative to the pretrained model and shifts posterior marginals toward the least-squares reference while retaining spread.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Beyond Conditional Independence: Root Cause Analysis with Deep Causal Models
Md Musfiqur Rahman, Kenneth Lee, Ziwei Jiang et al. (+3 more)
Root cause analysis (RCA) is a critical problem in many real-world scenarios. RCA enables the identification of faulty or failing mechanisms in a system by comparing anomalous observations with corresponding reference (i.e., regular) observations. However, existing approaches rely either on heuristic methods or on conditional independence tests with a strong unconfoundedness assumption, and thus fail to exploit other complicated distributional constraints in the presence of latent variables. To relax these assumptions, we model the underlying system as a causal model and the anomalous system as a change in the structural functions of the same causal model. Specifically, to handle unobserved confounders, we establish an implicit connection between distributional constraint testing and root cause analysis. To adapt our approach to data generated from arbitrary causal models, we employ the deep causal model (DCM) framework, in which we design the causal model using neural networks. Finally, we illustrate how our method, RCA-DCM, can utilize different levels of partial graphical knowledge to perform RCA. We evaluate RCA-DCM against state-of-the-art baselines on simulated
datasets, a physics-based causal chamber and two micro-service applications. RCA-DCM improves top-1 accuracy over the strongest baseline on both Sock Shop (0.880 vs. 0.752) and Online Boutique (0.776 vs. 0.712), and when the true root cause in the causal chamber is unobserved and acts as a latent confounder, it recovers the exact root-cause set more often than any competing method (perfect recovery rate (PRR) 0.846 vs. 0.731).
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All authors Md Musfiqur Rahman, Kenneth Lee, Ziwei Jiang, Padmaja Jonnalagedda, Ruocheng Guo, Murat Kocaoglu
Machine Learning (Statistics) · Cross-listed from cs.LG
Federated Clustering with Unknown Local and Global Cluster Cardinalities
Mitushi Goyal, Tarun S., Riddhanya Senapathi et al. (+1 more)
Federated clustering methods that do not require the global number of clusters $K$ still assume that each client knows its local number $K_g$. This assumption is hard to justify when clients know no more about their data than the server does, as in fault diagnosis across independently operated industrial sites. We propose a two-phase framework in which neither count is known: each client first estimates $K_g$ from its own data, and an aggregator that requires local counts, such as FedGEM, then uses these estimates in place of the true values. For the first phase we introduce Adaptive Split–Merge (ASM), which grows a spherical Gaussian mixture by BIC-driven splitting and then merges excess components. ASM uses no labels, selects its hyperparameters on held-out client data only, and makes no assumption about how clusters are shared across clients. We derive a closed-form split criterion whose critical cluster size falls with anisotropy and rises with dimension, and show empirically that over-fragmentation grows with the number of points per cluster, which federation divides among clients. Across eight
datasets, ASM with FedGEM attains a mean ARI of 0.333, against 0.256 for the next best label-free
estimator and 0.361 when the true local counts are supplied. It also gives the most reliable global estimates of $K$ and is robust when client size is decoupled from local cardinality.
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All authors Mitushi Goyal, Tarun S., Riddhanya Senapathi, Arun Raman
Machine Learning (Statistics) · Cross-listed from math.NA
Into the danger zone: stable extrapolation in high-dimensional function and operator learning
Ben Adcock, Simone Brugiapaglia and Xuemeng Wang
Out-of-distribution (OOD) generalization is a central challenge in scientific machine learning. We study regression problems in which the test distribution differs from the training distribution and ask: under what assumptions on the target function or operator is stable extrapolation possible, and how far beyond the training domain can one extrapolate? Existing theory controls the test error through additive penalties measuring the discrepancy between the training and test distributions. Such guarantees show robustness to small distribution shifts, but can be very pessimistic in comparison to OOD performance observed empirically. We identify classes of holomorphic functions and operators for which the OOD generalization error converges at algebraic rates even in the presence of large distribution shifts. This phenomenon stems from the increasing smoothness of higher-index coordinates, leading to what we term a `blessing of high dimensionality'. For learning with either
polynomials, deep neural networks or deep neural operators, we derive explicit rates for arbitrary test measures supported on suitable domains and quantify how the admissible domain depends on the underlying regularity of the function or operator. Our extrapolation guarantees are independent of the test distribution, depending only on its support. We also present a series of numerical experiments across a range of functions and operators that support the main theoretical findings.
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Machine Learning (Statistics) · Cross-listed from cs.LG
When Is Coarse Supervision Worth It? Cost-Aware Learning under Unknown Aggregation
Jianyu Xu, Smriti Jha, Aarti Singh et al. (+1 more)
Modern learning systems often acquire supervision at multiple resolutions, trading annotation cost against information content. We study cost-aware two-resolution learning, where expensive fine labels reveal a vector response and cheaper coarse labels reveal a scalar aggregate formed with unknown weights, while the target remains the full response. The challenge is that unknown aggregation changes which directions coarse data can identify, so the value of coarse supervision depends jointly on cost, noise, and identification. We characterize this information geometry and develop an estimate-and-track policy that learns the aggregation rule and tracks the optimal resolution mix. We derive a closed-form break-even condition for coarse supervision and prove that the online policy attains the optimal leading cumulative-risk coefficient, with a matching local asymptotic minimax lower bound. Synthetic experiments support the predicted all-fine/mixed transition, show the online learner approaching the oracle-share
benchmark, and demonstrate a finite-budget gain over all-fine acquisition when coarse supervision is sufficiently favorable. Our results provide a principled way to balance information and annotation cost across supervision resolutions.
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All authors Jianyu Xu, Smriti Jha, Aarti Singh, Bryan Wilder
Machine Learning (Statistics) · Cross-listed from cs.LG
Understanding Private Evolution as Learning-Augmented Clustering
Audra McMillan, Kunal Talwar and Felix Zhou
Private
Evolution (PE) is a differentially private
algorithm for synthetic data generation. While it can be viewed as a Wasserstein learning
algorithm, it performs much better in practice than worst-case Wasserstein analyses would predict. We recast PE as generative model-augmented Wasserstein learning. We show theoretically that when we take into account the use of a generative model that is able to capture something about the true distribution, then we can obtain much better performance bounds. For example, if the generator gives samples in the same low-dimensional space as the distribution, then sample complexity depends on intrinsic, not ambient, dimension. We also show that standard variants of PE can fail to converge on simple well-clustered instances, and propose a new geometry-aware version of PE with provable convergence on such instances. Experimentally, we show that our new
algorithm is competitive with standard baselines and can improve recall.
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Machine Learning (Statistics) · Cross-listed from math.OC
Second-Moment Stochastic Approximation Methods
Tao Jiang and Lin Xiao
Classical
stochastic approximation methods rely on
estimators of the first moment (mean) of a random regression function. We study methods that employ
estimators of both the first and the second moments, which include modern deep-learning optimizers such as Adam and
Muon as special cases. We derive second-moment
stochastic approximation methods through the lens of optimal preconditioning for solving
matrix equations, and develop a two-stage framework for their convergence analysis. The first stage focuses on the analysis of conceptual (impractical) methods that rely on the exact first and second moments. In the second stage, we replace the exact moments with their respective
estimators, and invoke Dvoretzky's
theorem to show that the resulting practical methods converge almost surely to a neighborhood of the target solution. The size of the neighborhood depends on the biases and variances of the first- and second-moment
estimators. We derive concrete bounds for
Muon and a spectral variant of Adam that determine the radius of their neighborhood of convergence.
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