Genre
On the Asymptotics of Self-Supervised Pre-training: Two-Stage M-Estimation and Representation Symmetry
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
Yin, Qichuan, Su, Ziwei, Li, Shuangning
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
Awasthi, Urvi, Lobo, Alexander Arjun, Zhukov, Leonid
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.
Targeted learning of heterogeneous treatment effect curves for right censored or left truncated time-to-event data
Pryce, Matthew, Diaz-Ordaz, Karla, Keogh, Ruth H., Vansteelandt, Stijn
In recent years, there has been growing interest in causal machine learning estimators for quantifying subject-specific effects of a binary treatment on time-to-event outcomes. Estimation approaches have been proposed which attenuate the inherent regularisation bias in machine learning predictions, with each of these estimators addressing measured confounding, right censoring, and in some cases, left truncation. However, the existing approaches are found to exhibit suboptimal finite-sample performance, with none of the existing estimators fully leveraging the temporal structure of the data, yielding non-smooth treatment effects over time. We address these limitations by introducing surv-iTMLE, a targeted learning procedure for estimating the difference in the conditional survival probabilities under two treatments. Unlike existing estimators, surv-iTMLE accommodates both left truncation and right censoring while enforcing smoothness and boundedness of the estimated treatment effect curve over time. Through extensive simulation studies under both right censoring and left truncation scenarios, we demonstrate that surv-iTMLE outperforms existing methods in terms of bias and smoothness of time-varying effect estimates in finite samples. We then illustrate surv-iTMLE's practical utility by exploring heterogeneity in the effects of immunotherapy on survival among non-small cell lung cancer (NSCLC) patients, revealing clinically meaningful temporal patterns that existing estimators may obscure.
Parameter-Free Dynamic Regret for Unconstrained Linear Bandits
Rumi, Alberto, Jacobsen, Andrew, Cesa-Bianchi, Nicolò, Vitale, Fabio
We study dynamic regret minimization in unconstrained adversarial linear bandit problems. In this setting, a learner must minimize the cumulative loss relative to an arbitrary sequence of comparators $\boldsymbol{u}_1,\ldots,\boldsymbol{u}_T$ in $\mathbb{R}^d$, but receives only point-evaluation feedback on each round. We provide a simple approach to combining the guarantees of several bandit algorithms, allowing us to optimally adapt to the number of switches $S_T = \sum_t\mathbb{I}\{\boldsymbol{u}_t \neq \boldsymbol{u}_{t-1}\}$ of an arbitrary comparator sequence. In particular, we provide the first algorithm for linear bandits achieving the optimal regret guarantee of order $\mathcal{O}\big(\sqrt{d(1+S_T) T}\big)$ up to poly-logarithmic terms without prior knowledge of $S_T$, thus resolving a long-standing open problem.
Binary Expansion Group Intersection Network
Conditional independence is central to modern statistics, but beyond special parametric families it rarely admits an exact covariance characterization. We introduce the binary expansion group intersection network (BEGIN), a distribution-free graphical representation for multivariate binary data and bit-encoded multinomial variables. For arbitrary binary random vectors and bit representations of multinomial variables, we prove that conditional independence is equivalent to a sparse linear representation of conditional expectations, to a block factorization of the corresponding interaction covariance matrix, and to block diagonality of an associated generalized Schur complement. The resulting graph is indexed by the intersection of multiplicative groups of binary interactions, yielding an analogue of Gaussian graphical modeling beyond the Gaussian setting. This viewpoint treats data bits as atoms and local BEGIN molecules as building blocks for large Markov random fields. We also show how dyadic bit representations allow BEGIN to approximate conditional independence for general random vectors under mild regularity conditions. A key technical device is the Hadamard prism, a linear map that links interaction covariances to group structure.
Learning to Recorrupt: Noise Distribution Agnostic Self-Supervised Image Denoising
Monroy, Brayan, Bacca, Jorge, Tachella, Julián
Self-supervised image denoising methods have traditionally relied on either architectural constraints or specialized loss functions that require prior knowledge of the noise distribution to avoid the trivial identity mapping. Among these, approaches such as Noisier2Noise or Recorrupted2Recorrupted, create training pairs by adding synthetic noise to the noisy images. While effective, these recorruption-based approaches require precise knowledge of the noise distribution, which is often not available. We present Learning to Recorrupt (L2R), a noise distribution-agnostic denoising technique that eliminates the need for knowledge of the noise distribution. Our method introduces a learnable monotonic neural network that learns the recorruption process through a min-max saddle-point objective. The proposed method achieves state-of-the-art performance across unconventional and heavy-tailed noise distributions, such as log-gamma, Laplace, and spatially correlated noise, as well as signal-dependent noise models such as Poisson-Gaussian noise.
Benchmarking Tabular Foundation Models for Conditional Density Estimation in Regression
Izbicki, Rafael, Rodrigues, Pedro L. C.
Conditional density estimation (CDE) - recovering the full conditional distribution of a response given tabular covariates - is essential in settings with heteroscedasticity, multimodality, or asymmetric uncertainty. Recent tabular foundation models, such as TabPFN and TabICL, naturally produce predictive distributions, but their effectiveness as general-purpose CDE methods has not been systematically evaluated, unlike their performance for point prediction, which is well studied. We benchmark three tabular foundation model variants against a diverse set of parametric, tree-based, and neural CDE baselines on 39 real-world datasets, across training sizes from 50 to 20,000, using six metrics covering density accuracy, calibration, and computation time. Across all sample sizes, foundation models achieve the best CDE loss, log-likelihood, and CRPS on the large majority of datasets tested. Calibration is competitive at small sample sizes but, for some metrics and datasets, lags behind task-specific neural baselines at larger sample sizes, suggesting that post-hoc recalibration may be a valuable complement. In a photometric redshift case study using SDSS DR18, TabPFN exposed to 50,000 training galaxies outperforms all baselines trained on the full 500,000-galaxy dataset. Taken together, these results establish tabular foundation models as strong off-the-shelf conditional density estimators.
Sharp Concentration Inequalities: Phase Transition and Mixing of Orlicz Tails with Variance
In this work, we investigate how to develop sharp concentration inequalities for sub-Weibull random variables, including sub-Gaussian and sub-exponential distributions. Although the random variables may not be sub-Guassian, the tail probability around the origin behaves as if they were sub-Gaussian, and the tail probability decays align with the Orlicz $Ψ_α$-tail elsewhere. Specifically, for independent and identically distributed (i.i.d.) $\{X_i\}_{i=1}^n$ with finite Orlicz norm $\|X\|_{Ψ_α}$, our theory unveils that there is an interesting phase transition at $α= 2$ in that $\PPł(ł|\sum_{i=1}^n X_i \r| \geq t\r)$ with $t > 0$ is upper bounded by $2\expł(-C\maxł\{\frac{t^2}{n\|X\|_{Ψ_α}^2},\frac{t^α}{ n^{α-1} \|X\|_{Ψ_α}^α}\r\}\r)$ for $α\geq 2$, and by $2\expł(-C\minł\{\frac{t^2}{n\|X\|_{Ψ_α}^2},\frac{t^α}{ n^{α-1} \|X\|_{Ψ_α}^α}\r\}\r)$ for $1\leq α\leq 2$ with some positive constant $C$. In many scenarios, it is often necessary to distinguish the standard deviation from the Orlicz norm when the latter can exceed the former greatly. To accommodate this, we build a new theoretical analysis framework, and our sharp, flexible concentration inequalities involve the variance and a mixing of Orlicz $Ψ_α$-tails through the min and max functions. Our theory yields new, improved concentration inequalities even for the cases of sub-Gaussian and sub-exponential distributions with $α= 2$ and $1$, respectively. We further demonstrate our theory on martingales, random vectors, random matrices, and covariance matrix estimation. These sharp concentration inequalities can empower more precise non-asymptotic analyses across different statistical and machine learning applications.
Kantorovich--Kernel Neural Operators: Approximation Theory, Asymptotics, and Neural Network Interpretation
This paper studies a class of multivariate Kantorovich-kernel neural network operators, including the deep Kantorovich-type neural network operators studied by Sharma and Singh. We prove density results, establish quantitative convergence estimates, derive Voronovskaya-type theorems, analyze the limits of partial differential equations for deep composite operators, prove Korovkin-type theorems, and propose inversion theorems. This paper studies a class of multivariate Kantorovich-kernel neural network operators, including the deep Kantorovich-type neural network operators studied by Sharma and Singh. We prove density results, establish quantitative convergence estimates, derive Voronovskaya-type theorems, analyze the limits of partial differential equations for deep composite operators, prove Korovkin-type theorems, and propose inversion theorems. Furthermore, this paper discusses the connection between neural network architectures and the classical positive operators proposed by Chui, Hsu, He, Lorentz, and Korovkin.