Machine Learning (Statistics) · Cross-listed from cs.LG
LinearPFN: Amortized Variable Selection for Linear Models with Interactions
Louis Schiekiera, Max Zimmer, Christophe Roux et al. (+3 more)
Spike-and-slab regression is a standard
Bayesian formulation of variable selection: it returns a posterior distribution over which candidate effects are active rather than a single selected subset, so that every candidate effect carries an inclusion probability. Its cost grows exponentially with the number of candidate effects, so the posterior can be enumerated exactly only when the number of predictors is small. Beyond that reach, the posterior has to be approximated, typically by Markov chain Monte Carlo over the model space, which requires a fresh run for every
dataset and, within a fixed budget of steps, may fail to converge. We present LinearPFN, a prior-data fitted
transformer network that amortizes spike-and-slab inference for linear models with main effects and pairwise interactions. The network is pretrained once on synthetic
datasets, drawn from an explicitly specified prior, and a single forward pass over a new
dataset returns posterior inclusion probabilities, posterior-mean coefficients and posterior predictive distributions with no per-
dataset fitting. The prior is conjugate by design, so that the posterior for each fixed set of active effects has a closed form, and wherever the exact posterior is still computable by enumeration we verify the network's outputs against it. On real predictor
matrices from published social-science
datasets, with outcomes drawn from the prior so that the true active set is known, LinearPFN attains a higher per-
dataset selection AUC and a higher F1 under the median probability model rule than five classical baselines. The lead holds when the coefficients, the interactions or the noise depart from the prior. Code: https://github.com/schiekiera/LinearPFN. Trained model: https://huggingface.co/schiekiera/LinearPFN.
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All authors Louis Schiekiera, Max Zimmer, Christophe Roux, Manuel Arnold, Sebastian Pokutta, Fritz Günther
Machine Learning (Statistics) · Cross-listed from cs.CL
SOL: Measuring Gaps between Text Distributions by Double Sliced Wasserstein Metrics
Gregor Kornhardt, Moritz Piening, Jannis Chemseddine et al. (+1 more)
Evaluating text generation requires measuring how well the generated distribution matches the data distribution. For autoregressive models, this is done by the perplexity.
Diffusion and flow-based
language models can only provide a likelihood bound, whose tightness differs between model families. Sample-based substitutes such as generative perplexity with
entropy do not consider the distribution fit. We propose SOL, a distance between text distributions. Each sequence is represented by the empirical measure of its hidden states under a fixed
transformer and the distributions of these measures are compared by the double sliced Wasserstein distance. We prove that SOL is a metric if the
transformer is injective. Experiments show that SOL detects distributional failures, recovers expected model trends, and provides stable sample-based estimates. We put forward SOL to fill the gap in the current evaluation protocol used for non auto-regressive models. As a first step we use SOL to re-evaluate a variety of models trained on OpenWebText.
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All authors Gregor Kornhardt, Moritz Piening, Jannis Chemseddine, Gabriele Steidl
Machine Learning (Statistics)
KESurv: A Kernel Ensemble Method for Patient-Specific Survival Prediction
Rahul Goswami
Predicting patient-specific survival functions is crucial for clinicians in making informed decisions about patient care and treatment strategies. Among the various models available, the Survival Forest has demonstrated significant effectiveness in numerous scenarios. In this work, we propose an ensemble method that leverages the strengths of the Survival Forest as the master model, complemented by several base models. This ensemble incorporates the Beran
estimator, a type of kernel
estimator, to enhance predictions of patient-specific survival curves. We evaluated the performance of our proposed model using four distinct healthcare
datasets. The results highlight the superiority of our ensemble method over baseline models in both calibration and ranking across most
datasets. The findings suggest that our approach offers a more accurate and reliable estimation of patient-specific survival functions, providing a valuable tool for clinical decision-making.
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Machine Learning (Statistics)
Valid Stopping in Adaptive Generator-Verifier Loops
Mahmoud Hegazy, Michael I. Jordan and Aymeric Dieuleveut
Numerous agentic workflows are based on a generator-verifier loop: a generator proposes candidates, a cheap verifier scores them, and the workflow terminates when a proposal is verified as good enough. The verifier typically proxies a more costly ground-truth oracle, and as the generator searches adaptively against it, false acceptances may accumulate. Proposals can pass the proxy but fail under the costlier ground-truth check. We study when to stop these loops while controlling the false discovery rate of the accepted proposals. Our construction introduces tools of independent interest in distribution-free statistical testing and conformal risk control, including analysis of $e$-values constructed through index betting and a novel conformal risk control procedure for non-monotone losses. We validate the approach in synthetic settings and on a
protein-design
benchmark.
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Machine Learning (Statistics)
On the Comparison of Optimizers for Imbalanced Learning
Clément Lezane, Fran{\c c}ois Bachoc, Jérôme Bolte et al. (+1 more)
Data imbalance is pervasive in machine learning, from rare words and anomalies to underrepresented patterns in heterogeneous or cross-tabulated data. We study idealized optimizers geometries in continuous time to model small-step training in deep learning. We assume that the source of imbalance is unobserved: the optimizer has only access to the aggregate training loss ignoring the exact contributions of the majority and minority groups. In this setting, we characterize a region where majority losses are optimized regardless of the admissible minority structure. We derive explicit equations of this zone and bounds on the time needed to leave it. These bounds exhibit a milder dependence on minority amplitude for sign, spectral, and Newton descent than for Euclidean gradient descent. Experiments with AdamW and
Muon suggest similar advantages over SGD across
language, tabular, and image tasks.
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All authors Clément Lezane, Fran{\c c}ois Bachoc, Jérôme Bolte, Jean-Michel Loubes
Machine Learning (Statistics) · Cross-listed from cs.LG
Quantifying the Stability of Multi-Step Reasoning via Error Amplification
Dongyue Li, Ziniu Zhang, Minxuan Duan et al. (+1 more)
We consider the stability of multi-step
reasoning processes, which have extensive applications in
language models, including chain-of-thought and algorithmic
reasoning. While longer sequences of
reasoning can improve a model's generation capability at test time, the errors due to intermediate
reasoning steps can accumulate in autoregressive generation, and thus grow substantially at the end. In this paper, we ask: What are the key factors determining the stability of multi-step
reasoning? First, we show an inference error bound governed by the product of spectral norms of the Jacobians taken through the input space across generation steps. This product can be viewed as an error amplification factor, which could scale exponentially with the number of
reasoning steps, serving as a quantitative measure of
reasoning stability. Second, we analyze this measure in
transformer models trained to predict simple tasks like linear and quadratic functions. We theoretically prove that the
transformer model converges to a solution where the stability measure decays, thus yielding nearly zero inference loss over (arbitrarily) long steps. Finally, the stability analysis leads to several algorithmic implications for controlling the stability, through (i) chain-of-thought length compression that reduces the sensitivity of each step, and (ii) quantization-aware training that regularizes the input Jacobian norms. We validate the proposed
algorithms by fine-tuning
language models on graph-algorithmic
reasoning tasks and symbolic state-tracking tasks. Across seven evaluations, our
algorithms improve over baseline comparisons by 3.5% on average, and by 8.2% for longer-length inputs. Ablation analysis validates that the stability measure is drastically reduced by 3-8$\times$, confirming the regularization effect on the spectral norms of the (input space) Jacobians.
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All authors Dongyue Li, Ziniu Zhang, Minxuan Duan, Hongyang R. Zhang
Machine Learning (Statistics)
Latent Similarity Gaussian Processes: A Theory-Grounded Approach to Personalized Suicide-Risk Forecasting for Clinical Decision-Support
Yaniv Yacoby, Weiwei Pan, Hope Neveux et al. (+4 more)
Forecasting suicide risk is difficult due to the high heterogeneity of patients and the low base rate of suicide-related events (SREs). We present Latent Similarity Gaussian Processes (LSGPs), which embed patients in a continuous latent space to jointly model similarity and forecast risk. By selectively drawing information from latent peers, LSGPs better capture individualized risk trajectories, generalizing nomothetic (pooled), idiographic (per-patient), and hierarchical frameworks. Our contributions are: (1) an identifiable two-channel Similarity Kernel; (2) proof that the standard model-fitting
algorithm, mean-field variational inference, collapses LSGPs to nomothetic models, along with a fix; and (3) empirical results on intensive longitudinal suicide data showing LSGPs outperform nomothetic, idiographic, and hierarchical models for next-week risk forecasting, with the largest gains in forecasting first-occurrence SREs.
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All authors Yaniv Yacoby, Weiwei Pan, Hope Neveux, Taylor C. McGuire, Franchesca Castro-Ramirez, Anushka R. Patel, Matthew K. Nock
Machine Learning (Statistics) · Cross-listed from cs.CR
Watermarking: from Impossibility to Auditable Compliance
Fernando Delbianco, Fernando Tohmé and Hugo Acciarri
Article 50 (2) of the EU Artificial Intelligence Act requires providers of generative systems to make synthetic outputs machine-readable and detectable, while qualifying the effectiveness, interoperability, robustness, and reliability by technical feasibility, cost, content-specific limits, and the state of the art. For free-form text, one important implementation route is the implementation of a generative watermarking procedure, which poses a compliance problem that is hard to address. Strong watermarking is impossible against adaptive removal, while ordinary edits attenuate statistical evidence, and unmarked human text may overlap distributionally with machine output. This article develops an auditable alternative. First, it defines a description-length robustness profile. A finite-sample bound shows that detectable bias decays and that the required sample size grows with the inverse square of the decay rate. This replaces an unidentified Shannon-
entropy constant with collision
entropy. Second, it constructs label-conditional conformal prediction sets with separate false-attribution and false-exclusion levels, reporting “watermark supported,” “not supported,” or “inconclusive”. Coverage is obtained as a finite-sample result and is class-conditional under exchangeability. A small reproducible simulation of a tournament watermark confirms both claims and shows that the surviving-
token rule overstates the tolerable edit rate roughly twofold. The resulting premarket certificate, signed detector report, and postmarket recalibration protocol operationalize the Commission's 2026 Code of Practice without claiming universal robustness.
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Machine Learning (Statistics)
Reconstruction-Aware Distribution Matching for Inverse Problems with Unpaired Data
Thomas Ryckeboer, Giacomo Meanti and Julien Mairal
Recovering the forward operator of an imaging system from unpaired data avoids both calibration hardware and the clean/degraded pairs that supervision requires-pairs that, for a real lens, are often impossible to acquire. Existing unpaired approaches that explicitly estimate the forward operator by distribution matching evaluate a candidate only through the measurements it generates, whose distribution should match that of the real ones. Components suppressed by the operator are barely present in the degraded images, and therefore barely constrain the operator under such a criterion. Yet inversion precisely tries to recover them. As a result, two operators that are nearly indistinguishable as forward models can invert very differently. We address this by adding a comparison on the clean side: real degraded images, once restored, should be distributed like clean ones. Restorations are computed by a differentiable plug-and-play
algorithm parameterized by the operator being learned. On spatially varying PSF calibration and blind super-resolution, the method recovers more accurate operators than degraded-side matching alone, and closes much of the gap to restoration with the true operator.
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Machine Learning (Statistics) · Cross-listed from cs.LG
When Are Concept Bottleneck Model Explanations Faithful and Compact?
Stefano Teso, Emanuele Marconato, Steve Azzolin et al. (+1 more)
Concept bottleneck models (CBMs) are neural classifiers that allow to explain their decisions via high-level concepts, potentially enabling understanding, steering and debugging. However, their explanations are often derived heuristically. Building on formal explainability, we argue they should also be faithful, i.e., not misreport which concepts actually matter. We show that, for widespread CBM architectures, including recent VLM-based variants, faithful explanations must include all concepts in the bottleneck, compromising interpretability when this is large. This result applies to both heuristic and faithful-by-construction formal explanations. To encourage the existence of compact faithful explanations, we suggest i) modeling concepts probabilistically as binary or categorical random variables (rather than logits), and ii) employing per-concept training-time sparsification via group lasso (rather than regular elastic net). We also extend
algorithms from formal explainability to CBMs, and show they outperform natural heuristics in terms of guarantees and explanation size. Overall, our work warns against naive interpretability claims and provides formal conditions and practical strategies for ensuring CBMs are as interpretable as advertised.
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All authors Stefano Teso, Emanuele Marconato, Steve Azzolin, Antonio Vergari
Machine Learning (Statistics) · Cross-listed from math.ST
Bradley-Terry model under general comparison graphs
Ruijian Han, Yuanhang Luo and Yiming Xu
The Bradley-Terry model is a parametric model for ranking from pairwise comparisons. Existing asymptotic theory for the maximum likelihood
estimator (MLE) in regimes where the number of objects grows often requires homogeneity assumptions or compatibility conditions on comparison graphs, which limits its applicability to many practical settings. In this work, we establish uniform consistency of the MLE under general deterministic comparison designs. Our pairwise error bound consists of a pair-specific term governed by the effective resistance between the corresponding objects and a global term governed by the spectral gap of the unnormalized graph
Laplacian. The bound is tight up to logarithmic factors for certain graph sequences. For any prespecified sequence of pairs satisfying an additional balancing condition, we further establish asymptotic normality of the corresponding estimated utility differences. As an application, we obtain uniform consistency for independent-edge random graph designs whenever the minimum edge probability exceeds the Erdős-Rényi connectivity threshold by a logarithmic factor, as well as asymptotic normality under additional balancing conditions.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Sampling Allocation of LinUCB: Optimal Design Limits in the Small-Gap Regime
Yujie Liu, Vincent Y. F. Tan and Yunbei Xu
We study the sampling allocation of LinUCB in the small-gap regime, where the reward gaps are of order at most $n^{-1/2}$ over the decision horizon $n$. This scaling captures the hard instances underlying worst-case regret lower bounds, for which LinUCB is known to be near optimal up to logarithmic factors in $n$. Using a mean-field perspective, we characterize this allocation through the empirical sampling distribution, a macroscopic object that averages the effect of adaptive decisions over the horizon, and identify its limit as $n\to\infty$. We establish that in this regime, the empirical sampling distribution induced by LinUCB converges to the set of D-optimal designs. This central result reveals that, in the small-gap regime, LinUCB not only achieves near optimal minimax regret but also allocates samples in a way that is asymptotically efficient for learning the reward parameter, thereby connecting regret-driven online learning with information-efficient experimental design. Building on the optimal design limit, we obtain two useful consequences. First, we refine the asymptotic regret analysis of LinUCB in the small-gap regime by characterizing its leading-order constant in the limit. Second, we show that, despite LinUCB's adaptive sampling strategy, the regularized least-squares
estimator satisfies a central-limit-type
theorem in the small-gap regime, thereby enabling valid statistical inference for the reward parameter.
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Machine Learning (Statistics) · Cross-listed from stat.ME
DAG-CLIP: A DAG Learning Framework in the Presence of Latent Variables
Siliang Zhang, Yunxiao Chen and Irini Moustaki
Learning directed acyclic graphs (DAGs) to uncover causal mechanisms has attracted substantial
attention in machine learning. While most existing methods focus exclusively on observed variables, many variables of substantive interest are latent constructs defined by statistical measurement models. Such constructs are particularly common in the social and behavioral sciences. In this paper, we propose a general statistical framework for DAG learning when some or all nodes of the graph are latent variables, accommodating non-Gaussian manifest variables such as binary and categorical data in the measurement model. To overcome the computational burden of high-dimensional integration in standard marginal likelihoods, we develop DAG learning via Composite-Likelihood-based screening and Iterative
Pruning (DAG-CLIP), a two-step composite-likelihood-based learning
algorithm. This
algorithm first solves a smooth acyclicity-constrained optimization problem to screen out misspecified DAG structures, and subsequently performs BIC-guided composite-likelihood backward deletion within the Markov equivalence class (MEC) space to identify a sparse DAG. We establish the statistical consistency of the
algorithm in recovering the MEC of the true DAG, and demonstrate its effectiveness through extensive simulation studies and a real-world application to large-scale educational survey data.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Global Communication or Graph-Specific Memory?
Hamed Shirzad and Danica J. Sutherland
Scalable Graph
Transformers are commonly trained and evaluated on static large graphs in a transductive setup. Many scalable Graph
Transformer components can be formulated as a constant-size shared
memory, similar to virtual nodes, providing compressed information about the whole graph. The counterpart of these models in
language models and other domains is justified as the input changes, and this mechanism learns to compress some useful information about the input. In transductive learning on a single fixed graph, however, any shared
memory can be seen as a constant at test time. This raises the question of what exactly this shared
memory does in this static setup. We give preliminary evidence that optimizing a shared
memory directly performs similarly to global communication methods, and so normal local message-passing models can embed similar information in their weights. Thus, these settings may be a poor fit for evaluating global communication in graph neural networks.
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Machine Learning (Statistics)
Finite-Sample Distribution Theory and Efficient Large-Scale Inference for Online Quantile Regression
Ziyang Wei, Jiaqi Li, Lan Wang et al. (+1 more)
This paper studies online
quantile regression for large-scale and streaming data using
Stochastic SubGradient Descent (SSGD) with constant learning rates. Classical offline inference for
quantile regression is computationally and
memory intensive. Existing works of online inference for
quantile regression provide only asymptotic guarantees and typically require sub-exponential tail conditions for distribution theory. To bridge these gaps, we introduce new techniques to prove a quenched central limit
theorem (CLT) and finite-sample Gaussian approximation for SSGD under a finite-moment assumption. We further show that Ruppert-Polyak averaging with a constant learning rate has a non-vanishing bias and fails to satisfy CLT centering at the population target. Hence we propose suffix averaging to address this issue and establish its finite-sample Gaussian approximation. Based on these results, we provide an efficient online inference method for
quantile regression that avoids covariance estimation. Numerical experiments show that our method achieves desirable empirical coverage rates and competitive performance compared to other inference methods. We also apply our approach to U.S. wage data to demonstrate its practical effectiveness.
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All authors Ziyang Wei, Jiaqi Li, Lan Wang, Wei Biao Wu
Machine Learning (Statistics)
On the Sequentially Semiseparable Structure of SDE-Induced Kernels and Efficient Algorithms for Kernel-Based Estimation Problems
Mikkel Paltorp, Luigi Caglio, Tianshi Chen et al. (+2 more)
We study kernel functions induced by a linear time-invariant (LTI)
stochastic differential equation (SDE), an approach that embeds prior knowledge about the function to be estimated directly into the state-space description of the SDE. This kernel-design perspective is relevant across the many settings where kernels play a central role, including kernel methods in statistics, Gaussian process (GP) regression in machine learning, and kernel-based regularization methods in system identification. The resulting class of SDE-induced kernels includes several kernels of practical interest, such as Matérn kernels with half-integer smoothness, spline kernels, and related kernels used in system identification. In contrast to existing linear-time GP regression methods for these kernels, which are typically based on Kalman filtering and Rauch–Tung–Striebel smoothing on the latent state, we work directly with the SSS representation of the observed covariance
matrix. This yields linear-complexity recursive
algorithms for the
matrix operations required in GP regression, including factorization, linear solves, log determinants, posterior covariance, log-marginal-likelihood gradients, and posterior sampling; the same generator-level recursions extend, with only minor modifications, to the analogous computations in kernel-based regularization methods for system identification. Compared with previous uses of SSS representations in GP regression, we derive efficient recursive
algorithms for analytic marginal-likelihood gradients in three application-relevant cases, and we develop new recursions for posterior computations and Matheron-type sampling. Numerical experiments verify the accuracy of the proposed recursions and illustrate posterior inference and sampling for representative SDE-induced kernels.
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All authors Mikkel Paltorp, Luigi Caglio, Tianshi Chen, Evangelos Katsanos, Martin S. Andersen
Machine Learning (Statistics) · Cross-listed from cs.LG
The Blind Spot Paradox: When Adaptive Classifiers Defeat Drift Detectors
Raphaël Minato, Fabrice Popineau, Arpad Rimmel et al. (+1 more)
Monitoring concept drift from an adaptive classifier's error stream creates an operational conflict with the model's own update loop. When internal adaptation outpaces evidence accumulation, accuracy recovers before cumulative detectors (CUSUM, Page-Hinkley) can reach threshold. Instrumenting an Adaptive Random Forest (ARF) shows that surviving trees absorb 98.6% of the post-drift error transient through incremental leaf updates alone. The first background tree swap accounts for just 0.71% of this erased error volume, but drops external detection rates by 31 percentage points. We derive the finite-horizon boundary where cumulative evidence fails to cross threshold and measure a critical magnitude floor ($\Delta e_c = 0.120$) below which false-alarm budgets preclude detection. This failure manifests as missed shifts on stationary streams and false-alarm flooding triggered by internal tree swaps on noisy baselines. We validate on synthetic shifts, ARMA-GARCH series (ProteuS), and tabular
benchmarks (BAF, INSECTS); on the synthetic sweep at a standard threshold, the blind spot appears at $\Delta e \approx 0.25$, showing why classical
benchmarks like SEA ($\Delta e \le 0.21$) failed to reach it.
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All authors Raphaël Minato, Fabrice Popineau, Arpad Rimmel, Bich-Liên Doan
Machine Learning (Statistics)
Isotropic Gaussian Processes Improve Vanilla Bayesian Optimization in High Dimensions
Wei-Ting Tang, Madhav Muthyala and Joel A. Paulson
High-dimensional
Bayesian optimization (BO) often fits Gaussian process (GP) surrogates from far fewer observations than input dimensions. Modern Vanilla BO can perform well in this regime with dimension-aware priors, initialization, and acquisition optimization, but it typically retains automatic relevance determination (ARD), fitting one lengthscale per input coordinate. We study this modeling choice and propose Iso-BO, a controlled modification that replaces the ARD GP with an isotropic GP using one shared lengthscale while keeping the surrounding BO pipeline matched. For radial kernels, we show that the marginal log likelihood (MLL) depends on the inverse-squared ARD lengthscales only through weighted pairwise distances among the observed inputs. The current design can therefore leave some ARD directions exactly invisible or only weakly constrained by the MLL. Iso-BO removes coordinatewise reweighting and fits a single shared scale instead. Lengthscale-fitting and predictive-density diagnostics show that this finite-data effect appears in practice, including when the data-generating process is anisotropic. Across GP-prior, synthetic, and real-world
benchmarks, Iso-BO often improves over matched modern Vanilla BO and remains competitive with the included high-dimensional BO baselines under the tested budgets. Stress tests also show the expected boundary wherein sufficiently strong, learnable anisotropy can favor the more flexible ARD model.
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Machine Learning (Statistics) · Cross-listed from math.NA
Global error estimators for parametric monotone nonlinearities and neural approximations
Pablo Cortés Castillo, Wolfgang Dahmen and Jay Gopalakrishnan
We construct computable error
estimators, which double as loss functions for neural networks, for a class of parametric nonlinear partial differential equations with a monotonicity property, and prove that they are globally reliable and efficient. The value of such a loss function is bounded above and below by the squared error in the natural trial norm, for every trial function, not merely for those near the exact solution; this global property rests on monotonicity. The construction rests on splitting the nonlinear operator into a linear part and a strongly monotone closure, and on measuring the linear residual in a discrete dual norm. Since the closure contributes a dual norm that admits no closed form when the trial norm is stronger than an $L_2$ norm, the
estimator is built around a computable surrogate for it, required only to satisfy a pairing bound and a Lipschitz bound. The main
theorem then yields two-sided bounds with explicit constants and covers two instances. A first-order system least-squares
estimator on conforming trial spaces is the first instance studied: its two-sided bound holds on the whole trial space and therefore applies to arbitrary approximations, including those not in a discrete finite element space. The second instance is a discontinuous Petrov-Galerkin
estimator on trial spaces of finite element functions for each parameter value, built with broken test spaces, for which no conformity is required and the dual norm is computed by independent element-local problems. All assumptions are verified for a model class of nonlinear fluxes, with the constants tracked explicitly in terms of the parameter range. Being computable for an arbitrary input, both
estimators serve as variationally correct loss functions for neural network approximations of parameter-to-solution maps.
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Machine Learning (Statistics)
Retrieval-Based In-Context Learning: A Domain Adaptation Framework
Yilun Zhu, Naihao Deng, Yingcong Li et al. (+2 more)
In-context
retrieval (ICR) is a
retrieval-based form of in-context learning (ICL) in which demonstrations are retrieved from a source database based on similarity to the query, rather than sampled independently. In this work, we formulate ICR as a type of domain adaptation problem, where the source distribution $P$ of the database may differ from the target distribution $Q$ of the test query-label pair. We investigate the performance of ICR under a flexible class of distributional shifts that substantially extends prior work \citep{li2024fine,guo2025
retrieval}, and establish theoretical guarantees that quantify the benefits and pitfalls of this learning paradigm. Our theory is verified by experiments on synthetic and
language tasks.
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All authors Yilun Zhu, Naihao Deng, Yingcong Li, Naichen Shi, Clayton Scott
Machine Learning (Statistics) · Cross-listed from cs.LG
From Pixels, Without Pre-training: Joint Generative and Self-Supervised Representation Learning in One Model
Vicente Balmaseda, Ching-Long Lin and Tianbao Yang
Strong image generation models are conditioned on class labels, aligned to frozen pretrained encoders, or built on separately trained autoencoders. While effective, generation then depends on supervision or pretraining: labels must be annotated, and encoders or autoencoders pretrained for the target domain. We study joint generative and self-supervised representation learning in a single model, enabling self-conditioned generation without labels or pretrained models. This is challenging because the objectives are mismatched: contrastive learning consumes clean augmented views and favors coarse, invariant semantics, while flow matching consumes noisy images and must preserve the fine detail and spatial layout that contrastive learning discards. We propose SCION (Self-conditioned Generation on Self-supervised representation), whose core is a single pixel-space encoder conditioned on the flow timestep and an
embedding. For representation learning, this conditioning
embedding is a learned global vector shared across images, with the encoder's [CLS]
token yielding the semantic representation trained by the contrastive loss. For generative training, the conditioning
embedding is the image's own [CLS] representation, while patch
tokens pass through a decoder to predict the image. To sample without a reference image at inference, we jointly learn a prior over the
embedding. Gradient-norm balancing and stop-gradient mechanisms enable joint optimization in one run. SCION is self-supervised and self-contained, with no labels or pretrained models. On ImageNet 256x256, with the JiT-B recipe and no representation guidance, SCION reaches 8.92 FID, surpassing class-unconditional iREPA, which aligns to pretrained DINOv2 (46.44), and RCG, which conditions on it (14.27). With JiT-L, SCION achieves 5.89 FID without guidance and 3.47 with representation guidance, outperforming RCG with the ADM recipe (6.24).
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Machine Learning (Statistics)
Two-Sample Testing via Path-based Inference
Eshant English, Wei-Cheng Lai, Yanfeng Yang et al. (+3 more)
Modern deep generative models are primarily studied for their ability to generate realistic samples, yet the generative dynamics they learn can also serve as objects of statistical inference. We develop this idea for two-sample testing, the problem of deciding whether the same distribution generated two finite
datasets. Using
stochastic interpolants, we connect both distributions to a shared Gaussian bottleneck, so that each half of the resulting path is a Gaussian channel acting on a single population. We prove that the null hypothesis holds if and only if the population denoiser, or equivalently, the velocity fields of the two halves, coincide at any single noise level, which amounts to a reflection
symmetry of the path about the bottleneck. Deviations from this
symmetry yield a continuum of two-sample witnesses, which we estimate via held-out regression risks on learned denoisers and velocities and aggregate along the path; under an information-theoretic weighting, the aggregated discrepancy equals the Jeffreys divergence between the noise-smoothed distributions. Calibrating the resulting statistics by permutation yields tests that are valid in finite samples for any trained networks and consistent when the fields are learned accurately. On a synthetic
benchmark and three image
benchmarks, the proposed tests improve power over the strongest baseline by up to 33 percentage points at an equal total sample budget, with the best choice of regression representation and path weighting depending on the data modality. These results show that generative paths provide a principled representation for statistical testing, extending
stochastic-interpolant models beyond generation.
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All authors Eshant English, Wei-Cheng Lai, Yanfeng Yang, Kenji Fukumizu, Taiji Suzuki, Christoph Lippert