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The Conjugate Domain Dichotomy: Exact Risk of M-Estimators under Infinite-Variance Noise in High Dimensions

arXiv.org Machine Learning

This paper studies high-dimensional M-estimation in the proportional asymptotic regime (p/n -> gamma > 0) when the noise distribution has infinite variance. For noise with regularly-varying tails of index alpha in (1,2), we establish that the asymptotic behavior of a regularized M-estimator is governed by a single geometric property of the loss function: the boundedness of the domain of its Fenchel conjugate. When this conjugate domain is bounded -- as is the case for the Huber, absolute-value, and quantile loss functions -- the dual variable in the min-max formulation of the estimator is confined, the effective noise reduces to the finite first absolute moment of the noise distribution, and the estimator achieves bounded risk without recourse to external information. When the conjugate domain is unbounded -- as for the squared loss -- the dual variable scales with the noise, the effective noise involves the diverging second moment, and bounded risk can be achieved only through transfer regularization toward an external prior. For the squared-loss class specifically, we derive the exact asymptotic risk via the Convex Gaussian Minimax Theorem under a noise-adapted regularization scaling. The resulting risk converges to a universal floor that is independent of the regularizer, yielding a loss-risk trichotomy: squared-loss estimators without transfer diverge; Huber-loss estimators achieve bounded but non-vanishing risk; transfer-regularized estimators attain the floor.


AutoStan: Autonomous Bayesian Model Improvement via Predictive Feedback

arXiv.org Machine Learning

We present AutoStan, a framework in which a command-line interface (CLI) coding agent autonomously builds and iteratively improves Bayesian models written in Stan. The agent operates in a loop, writing a Stan model file, executing MCMC sampling, then deciding whether to keep or revert each change based on two complementary feedback signals: the negative log predictive density (NLPD) on held-out data and the sampler's own diagnostics (divergences, R-hat, effective sample size). We evaluate AutoStan on five datasets with diverse modeling structures. On a synthetic regression dataset with outliers, the agent progresses from naive linear regression to a model with Student-t robustness, nonlinear heteroscedastic structure, and an explicit contamination mixture, matching or outperforming TabPFN, a state-of-the-art black-box method, while remaining fully interpretable. Across four additional experiments, the same mechanism discovers hierarchical partial pooling, varying-slope models with correlated random effects, and a Poisson attack/defense model for soccer. No search algorithm, critic module, or domain-specific instructions are needed. This is, to our knowledge, the first demonstration that a CLI coding agent can autonomously write and iteratively improve Stan code for diverse Bayesian modeling problems.


MuonEq: Balancing Before Orthogonalization with Lightweight Equilibration

arXiv.org Machine Learning

Orthogonalized-update optimizers such as Muon improve training of matrix-valued parameters, but existing extensions mostly act either after orthogonalization by rescaling updates or before it with heavier whitening-based preconditioners. We introduce {\method}, a lightweight family of pre-orthogonalization equilibration schemes for Muon in three forms: two-sided row/column normalization (RC), row normalization (R), and column normalization (C). These variants rebalance the momentum matrix before finite-step Newton--Schulz using row/column squared-norm statistics and only $\mathcal{O}(m+n)$ auxiliary state. We show that finite-step orthogonalization is governed by input spectral properties, especially stable rank and condition number, and that row/column normalization is a zeroth-order whitening surrogate that removes marginal scale mismatch. For the hidden matrix weights targeted by {\method}, the row-normalized variant R is the natural default and preserves the $\widetilde{\mathcal{O}}(T^{-1/4})$ stationarity guarantee of Muon-type methods. In LLaMA2 pretraining on C4, the default R variant consistently outperforms Muon on 130M and 350M models, yielding faster convergence and lower validation perplexity.


Retrospective Counterfactual Prediction by Conditioning on the Factual Outcome: A Cross-World Approach

arXiv.org Machine Learning

Retrospective causal questions ask what would have happened to an observed individual had they received a different treatment. We study the problem of estimating $μ(x,y)=\mathbb{E}[Y(1)\mid X=x,Y(0)=y]$, the expected counterfactual outcome for an individual with covariates $x$ and observed outcome $y$, and constructing valid prediction intervals under the Neyman-Rubin superpopulation model. This quantity is generally not identified without additional assumptions. To link the observed and unobserved potential outcomes, we work with a cross-world correlation $ρ(x)=cor(Y(1),Y(0)\mid X=x)$; plausible bounds on $ρ(x)$ enable a principled approach to this otherwise unidentified problem. We introduce retrospective counterfactual estimators $\hatμ_ρ(x,y)$ and prediction intervals $C_ρ(x,y)$ that asymptotically satisfy $P[Y(1)\in C_ρ(x,y)\mid X=x, Y(0)=y]\ge1-α$ under standard causal assumptions. Many common baselines implicitly correspond to endpoint choices $ρ=0$ or $ρ=1$ (ignoring the factual outcome or treating the counterfactual as a shifted factual outcome). Interpolating between these cases through cross-world dependence yields substantial gains in both theory and practice.


Conformal Prediction Assessment: A Framework for Conditional Coverage Evaluation and Selection

arXiv.org Machine Learning

Conformal prediction provides rigorous distribution-free finite-sample guarantees for marginal coverage under the assumption of exchangeability, but may exhibit systematic undercoverage or overcoverage for specific subpopulations. Assessing conditional validity is challenging, as standard stratification methods suffer from the curse of dimensionality. We propose Conformal Prediction Assessment (CPA), a framework that reframes the evaluation of conditional coverage as a supervised learning task by training a reliability estimator that predicts instance-level coverage probabilities. Building on this estimator, we introduce the Conditional Validity Index (CVI), which decomposes reliability into safety (undercoverage risk) and efficiency (overcoverage cost). We establish convergence rates for the reliability estimator and prove the consistency of CVI-based model selection. Extensive experiments on synthetic and real-world datasets demonstrate that CPA effectively diagnoses local failure modes and that CC-Select, our CVI-based model selection algorithm, consistently identifies predictors with superior conditional coverage performance.


Statistical Guarantees for Distributionally Robust Optimization with Optimal Transport and OT-Regularized Divergences

arXiv.org Machine Learning

We study finite-sample statistical performance guarantees for distributionally robust optimization (DRO) with optimal transport (OT) and OT-regularized divergence model neighborhoods. Specifically, we derive concentration inequalities for supervised learning via DRO-based adversarial training, as commonly employed to enhance the adversarial robustness of machine learning models. Our results apply to a wide range of OT cost functions, beyond the $p$-Wasserstein case studied by previous authors. In particular, our results are the first to: 1) cover soft-constraint norm-ball OT cost functions; soft-constraint costs have been shown empirically to enhance robustness when used in adversarial training, 2) apply to the combination of adversarial sample generation and adversarial reweighting that is induced by using OT-regularized $f$-divergence model neighborhoods; the added reweighting mechanism has also been shown empirically to further improve performance. In addition, even in the $p$-Wasserstein case, our bounds exhibit better behavior as a function of the DRO neighborhood size than previous results when applied to the adversarial setting.


On the Asymptotics of Self-Supervised Pre-training: Two-Stage M-Estimation and Representation Symmetry

arXiv.org Machine Learning

Self-supervised pre-training, where large corpora of unlabeled data are used to learn representations for downstream fine-tuning, has become a cornerstone of modern machine learning. While a growing body of theoretical work has begun to analyze this paradigm, existing bounds leave open the question of how sharp the current rates are, and whether they accurately capture the complex interaction between pre-training and fine-tuning. In this paper, we address this gap by developing an asymptotic theory of pre-training via two-stage M-estimation. A key challenge is that the pre-training estimator is often identifiable only up to a group symmetry, a feature common in representation learning that requires careful treatment. We address this issue using tools from Riemannian geometry to study the intrinsic parameters of the pre-training representation, which we link with the downstream predictor through a notion of orbit-invariance, precisely characterizing the limiting distribution of the downstream test risk. We apply our main result to several case studies, including spectral pre-training, factor models, and Gaussian mixture models, and obtain substantial improvements in problem-specific factors over prior art when applicable.


Overcoming the Incentive Collapse Paradox

arXiv.org Machine Learning

AI-assisted task delegation is increasingly common, yet human effort in such systems is costly and typically unobserved. Recent work by Bastani and Cachon (2025); Sambasivan et al. (2021) shows that accuracy-based payment schemes suffer from incentive collapse: as AI accuracy improves, sustaining positive human effort requires unbounded payments. We study this problem in a budget-constrained principal-agent framework with strategic human agents whose output accuracy depends on unobserved effort. We propose a sentinel-auditing payment mechanism that enforces a strictly positive and controllable level of human effort at finite cost, independent of AI accuracy. Building on this incentive-robust foundation, we develop an incentive-aware active statistical inference framework that jointly optimizes (i) the auditing rate and (ii) active sampling and budget allocation across tasks of varying difficulty to minimize the final statistical loss under a single budget. Experiments demonstrate improved cost-error tradeoffs relative to standard active learning and auditing-only baselines.


Hierarchy-Guided Topology Latent Flow for Molecular Graph Generation

arXiv.org Machine Learning

Generating chemically valid 3D molecules is hindered by discrete bond topology: small local bond errors can cause global failures (valence violations, disconnections, implausible rings), especially for drug-like molecules with long-range constraints. Many unconditional 3D generators emphasize coordinates and then infer bonds or rely on post-processing, leaving topology feasibility weakly controlled. We propose Hierarchy-Guided Latent Topology Flow (HLTF), a planner-executor model that generates bond graphs with 3D coordinates, using a latent multi-scale plan for global context and a constraint-aware sampler to suppress topology-driven failures. On QM9, HLTF achieves 98.8% atom stability and 92.9% valid-and-unique, improving PoseBusters validity to 94.0% (+0.9 over the strongest reported baseline). On GEOM-DRUGS, HLTF attains 85.5%/85.0% validity/valid-unique-novel without post-processing and 92.2%/91.2% after standardized relaxation, within 0.9 points of the best post-processed baseline. Explicit topology generation also reduces "false-valid" samples that pass RDKit sanitization but fail stricter checks.


A Game Plan for the AI Boom

The Atlantic - Technology

Ten years ago, AlphaGo trounced human competitors--and its legacy is still present in today's most advanced bots. Thore Graepel may have been the first human to be vanquished by a superintelligence. In 2015, on his first day as a researcher at Google DeepMind, he was challenged to play against the earliest iteration of AlphaGo--a computer program developed by DeepMind that would prove so effective at the ancient-Chinese game of (or Go, as it is commonly known in the West) that it changed how humans play it, and then upended the field of AI itself. When Graepel faced it, AlphaGo was just a "baby" project, as he put it to me, and he was an accomplished amateur player. But it still took him down.