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Estimating Mixture Distributions via Stochastic Mirror Descent

arXiv.org Machine Learning

We revisit the classical problem of estimating an unknown distribution from its samples by fitting a mixture model that minimizes cross-entropy loss. Framing the task as a stochastic convex optimization problem over the space of $ M $-component mixture distributions, we propose a family of estimators derived from the stochastic mirror descent (SMD) algorithm. This optimization-based approach provides a principled and flexible framework that generalizes traditional estimators and proposes a variety of novel estimators through the choice of Bregman divergences. A key advantage of our method is that it scales efficiently with the number of candidate components $ f_i $; that is, one can employ a large set of basis distributions in the mixture model without incurring significant computational overhead. This enables richer approximations and improved estimation accuracy. Moreover, in the case of categorical distribution (discrete outcomes) our estimators do not require a strict lower bound, in other words our framework does not require the precise knowledge of the support of the distribution. We demonstrate that, under mild conditions, the proposed $ φ$-SMD estimators achieve near-optimal convergence rates in both Kullback-Leibler (KL) divergence and $ \ell_2 $-norm and offer practical benefits when computation is expensive. Our numerical analysis highlights improved performance guaranties over classical estimators, particularly in terms of sample efficiency and scalability.


Error estimates for tamed Euler and Randomized Euler schemes for SDEs with locally Lipschitz drift with applications to non-logconcave sampling and optimization

arXiv.org Machine Learning

In this paper, we study the numerical discretization of stochastic differential equations with locally Lipschitz, super-linearly growing drift, and the resulting implications for sampling from non-log-concave distributions satisfying a logarithmic Sobolev inequality. In this regime, the classical Euler--Maruyama scheme underlying the unadjusted Langevin algorithm (ULA) is known to be unstable. We analyze the KL-accelerated tamed unadjusted Langevin algorithm (kTULA) and introduce a new tamed randomized midpoint scheme, termed tRLMC. Building on the shifted-composition approach of \cite{chewi2024local}, we develop two new local-error frameworks that yield finite-time, non-asymptotic error estimates against the underlying SDE -- in KL divergence for kTULA, and in total variation for tRLMC -- valid for general locally Lipschitz drift. Specializing these frameworks to the sampling problem under a logarithmic Sobolev inequality, we obtain a near-optimal $\widetilde{O}(\varepsilon^{-1/2})$ iteration complexity for kTULA in KL divergence, with corresponding guarantees in total variation and Wasserstein distance. We further establish, for the first time, a non-asymptotic guarantee in total variation for a tamed randomized Langevin scheme under super-linear drift growth, together with the corresponding Wasserstein-distance bound, both with $\widetilde{O}(\varepsilon^{-1})$ complexity for tRLMC. As a consequence, both schemes yield non-asymptotic bounds for a non-convex excess-risk optimization problem.


Debiasing Random Oblique Projections for Subsampled OLS and Fast CUR in High Dimensions

arXiv.org Machine Learning

Random sampling is a fundamental tool in modern machine learning and numerical linear algebra for reducing the computational cost of large-scale matrix problems. Existing analyses, however, rely primarily on subspace embedding guarantees, which do not precisely characterize the statistical bias of nonlinear random oblique projections induced by sampling, which arises ubiquitously in subsampled least squares and fast low-rank approximation methods. Because (pseudo)inversion is nonlinear, these random oblique projections can be systematically biased even when the underlying sketch is unbiased, thereby introducing hidden bias into downstream least squares and low-rank approximation solutions. In this work, we develop a unified non-asymptotic theory for random oblique projections in high dimensions. We show that standard random sampling schemes generally induce a systematic statistical bias overlooked by classical subspace embedding-style analyses, and we propose a principled debiasing framework to correct it. We illustrate the power of the theory through two canonical applications. For subsampled least squares, we obtain sharp bias--variance characterizations, reveal previously unrecognized statistical suboptimality in widely used sampling schemes, and identify when debiasing yields provable improvements. For fast CUR decomposition, we develop a debiased approach with improved approximation accuracy. Numerical experiments further validate our theoretical findings.


Shared Keyboard: An improved Bayesian design for phase I clinical trials via Beta kernel process

arXiv.org Machine Learning

Model-assisted interval designs such as the Keyboard design are transparent and easy to implement in phase I oncology trials. However, interim decisions based solely on data from the current dose may overlook informative signals from neighbouring doses, leading to unnecessary escalation or de-escalation. We propose the shared Keyboard design, a Bayesian model-assisted design that replaces the independent beta--binomial updating scheme at each dose with a posterior induced by a Beta kernel process using kernel-weighted pseudo-counts. The design preserves the decision structure of the Keyboard design while enabling controlled borrowing across nearby doses. To prioritise overdose control, we propose an asymmetric kernel that assigns greater weight to toxicities observed at higher doses during escalation. We further extend the proposed design to accommodate adaptive dose insertion when the initial dose grid is inadequate and time-to-event outcomes when late-onset toxicities are present. Extensive simulation studies demonstrate substantial improvements in both accuracy and safety for identifying the maximum tolerated dose. In settings involving dose insertion, the proposed design identifies inserted target doses more effectively than adaptive dose modification while maintaining a comparable modification rate.


Multimodality Stacking with Blockwise missing values and application to the PIONeeR biomarkers study for prediction of resistance to immunotherapy

arXiv.org Machine Learning

Integrating multimodal datasets in clinical oncology is frequently hindered by high dimensionality and blockwise missingness, where entire data sources are unavailable for specific patient subsets. Standard survival models often struggle with these gaps, leading to biased results or patient exclusion. We introduce Multimodality Stacking with Blockwise missing values (MSB), a late-fusion framework for survival analysis that independently models modality-specific features before aggregating predictions via a cross-validated stacking meta-learner. MSB was validated on the PIONeeR study (n=443 patients, 378 biomarkers across eight heterogeneous sources) to predict progression-free survival in advanced non-small cell lung cancer patients receiving immunotherapy. MSB yielded higher predictive performance (C-index) than baseline algorithms. Improvements varied by baseline strength: linear models showed a 15.9% increase (p<0.001 for the Wilcoxon signed-rank test), random survival forests gained 5.4% (p=0.002), and gradient boosting methods improved by 2.1% (p=0.030). Beyond discrimination, MSB reduced the generalization gap (train-test difference in 5 folds cross-validation repeated 3 times: 0.055 vs 0.380 for linear models). Permutation importance analysis identified routine laboratory markers, clinical features, and PD-L1 expression as primary predictive drivers. Missing block indicators showed negligible importance, suggesting the model learned from biomarker values rather than data availability patterns. MSB provides a statistically validated framework for multimodal survival prediction with blockwise missingness. By enabling systematic biomarker evaluation without requiring complete data, MSB offers a practical tool for predictive modeling in biomedical research, pending external validation. Implementation is available at https://github.com/MohamedBoussena/MSB under Inria license.


Counterfactually Safe Reinforcement Learning

arXiv.org Machine Learning

Reinforcement learning algorithms are generally designed to maximize the expected return across a population. However, a policy that is optimal on average may be suboptimal for certain individuals, leading to potential safety concerns. To address this, we first formalize the notion of individual harm from a counterfactual perspective and define harm as the event in which a chosen action results in a strictly worse outcome than a baseline alternative. We then propose a general two-stage procedure for learning policies that maximize the expected return while accounting for individual harm. We further establish the finite-sample properties of the learned policy, derive an upper bound on its sub-optimality gap, and show that the harm rate remains well-controlled. Numerical experiments on both simulated and real-world datasets demonstrate the effectiveness of the proposed approach.


Inference-Time Alignment of Diffusion Models via Trust-Region Iterative Twisted Sequential Monte Carlo

arXiv.org Machine Learning

We study inference-time alignment for diffusion-based generative models, aiming to steer a base model toward high-reward outputs without updating its weights. Recent Sequential Monte Carlo (SMC)-based steering methods approximate reward-tilted target distributions in a principled way, but their proposals remain largely tied to the base sampler. Since reward information is mainly used after propagation through particle reweighting and resampling, these methods can require large particle budgets and suffer from weight degeneracy and high-variance estimates. One way to reduce variance and improve particle efficiency is to iteratively learn twisting functions that provide look-ahead guidance, as in twisted SMC. However, existing learnable twisting methods are developed mainly for classical sequential inference and can be unstable when applied to diffusion-based alignment with high-dimensional state spaces and terminal, noisy, or black-box rewards. We propose Trust-Region Iterative Twisted Sequential Monte Carlo (TRI-TSMC), a trust-region framework for learning twisting functions in SMC-based inference-time alignment. Each iteration computes an exact KL-constrained update in path space, which admits a closed-form solution by tempered importance reweighting, and projects this target back to the parameterized twisted family by weighted maximum likelihood. Theoretically, we formalize the value-function interpretation of the optimal twisting function and show that it yields a zero-variance sampler. We prove that the trust-region update follows an escort path toward the target distribution, that the weighted maximum-likelihood update is a forward-KL projection, and that the path reduces residual importance-weight variance. Empirically, TRI-TSMC improves primary alignment objectives on discrete diffusion text generation and text-to-image generation under matched inference-time budgets.


Learning Treatment Effects during Resource Allocation via Priority-Queue Randomization

arXiv.org Machine Learning

Public service programs often allocate limited resources under uncertainty about their benefits, creating a need for randomization to support credible evaluation. In practice, however, applicants commonly enter waitlists where resources are prioritized toward individuals judged to have higher need through tiered priority queues, making direct randomization difficult. Motivated by this, we develop an experimental design framework for learning treatment effects while treating those most in need where incoming applicants are randomized into priority queues based on their assessed risk scores. Treatments are then provided across queues in priority order and first-in-first-out within queue as budget becomes available. Our contributions are two-fold. First, we characterize what causal effects are identified under this priority-queue allocation. When arrivals are exogenous, treatments are conditionally randomized, and hence standard estimands are identified; when arrivals are endogenous, queue randomization instead provides an instrument for treatment, identifying local treatment effects induced by the queuing process. Second, we develop optimized queue-assignment designs that trade off statistical efficiency against prioritizing higher-need applicants. We show in the process that, despite dependence in treatment assignments induced by the design, usual iid efficiency bounds remain well-justified design objectives. We illustrate the proposed designs using data from a housing allocation program in a large U.S. county.


Nyström Kernel Stein Discrepancy Tests

arXiv.org Machine Learning

Kernel Stein discrepancy (KSD) is among the most popular goodness-of-fit (GoF) measures on general domains with a large number of successful deployments. One of the main applications of KSD is in constructing powerful GoF tests. However, tests relying on the classical U-/V-statistic-based KSD estimators have two major drawbacks. (i) Their runtime scales quadratically in the number of samples. (ii) Their asymptotic null distribution is computationally intractable in most cases, typically handled by bootstrapping. While it is known that the Nyström method permits accelerating KSD estimation with no loss of statistical accuracy under mild conditions, to the best of our knowledge, the fundamental question of its impact on bootstrap-based GoF testing is open; resolving this question is the focus of the current paper. In particular, we prove that the key properties of the quadratic-time bootstrapped KSD-based GoF test (asymptotic level and local consistency) are preserved by its Nyström acceleration. We numerically demonstrate the efficiency of the accelerated KSD estimator and bootstrap in the context of GoF testing of spherical and functional data. Our numerical results show that the Nyström-accelerated method performs statistically on-par with the quadratic-time approach, while requiring substantially smaller runtime.


Multi-Objective Learning for Diffusion Models: A Statistical Theory under Semi-Supervised Learning

arXiv.org Machine Learning

Diffusion models are increasingly used as powerful conditional generators, yet real deployments often involve multiple target distributions arising from different tasks, e.g., diverse prompt domains in text-to-image generation, or multiple environments in robotics with diffusion policies. This naturally leads to a multi-objective learning (MOL) problem. A key challenge is that achieving good Pareto trade-offs can require a generalist model class with substantially larger capacity than what suffices for solving any individual task, thereby increasing statistical cost since sample complexity typically scales with the model complexity. To reconcile this, we develop a principled MOL framework for diffusion models with limited data: a semi-supervised regime where paired (labeled) samples are scarce, but (unlabeled) condition data are abundant. We propose a two-stage training procedure that first fits lightweight specialist models from limited paired data, and then distills them into a generalist model by generating pseudo-samples. We establish generalization bounds showing that the required number of paired samples only depends on the complexity of the specialist model classes. We further extend the theory to diffusion policies for sequential decision making to account for distribution shift in on-policy rollouts. Extensive experiments on robotic control and image restoration tasks are conducted to verify our theoretical results.