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Less Random, More Private: What is the Optimal Subsampling Scheme for DP-SGD?

arXiv.org Machine Learning

Poisson subsampling is the default sampling scheme in differentially private machine learning, largely because its unstructured randomness yields tractable privacy amplification analyses. Yet this same randomness introduces substantial participation variance: each sample appears in very different numbers of training iterations. In this work, we show that this variance is not merely a practical artifact to be tolerated, but a fundamental source of suboptimal privacy amplification. We prove that Balanced Iteration Subsampling (BIS), a structured scheme in which each sample participates in exactly a fixed number of iterations, achieves stronger privacy amplification than Poisson subsampling and is optimal at both extremes of the noise spectrum ($σ\to 0$ and $σ\to \infty$). Our analysis reveals that the privacy-noise tradeoff is governed not by maximizing randomness, but by eliminating participation variance while preserving uniform marginal participation across iterations. To translate this asymptotic theory into finite-noise guarantees, we introduce a practical near-exact Monte Carlo accountant for BIS, which removes the analytical slack of existing RDP and composition-based PLD analyses. Evaluations across more than 60 practical DP-SGD configurations show that BIS consistently outperforms Poisson subsampling in the low-noise regimes most relevant for high-utility private training, reducing the required noise multiplier by up to $9.6\%$. These results overturn the common intuition that more sampling randomness necessarily yields stronger privacy amplification: in DP-SGD, structured participation can be both more practical and more private. Our implementation is available at https://github.com/dong-xin-ao-andy/bis-mc-accountant.


Decentralized Diffusion Policy Learning for Enhanced Exploration in Cooperative Multi-agent Reinforcement Learning

arXiv.org Machine Learning

Cooperative multi-agent reinforcement learning (MARL) involves complex agent interactions and requires effective exploration strategies. A prominent class of MARL algorithms, decentralized softmax policy gradient (DecSPG), addresses this through energy-based policy updates. In practice, however, such energy-based policies are intractable to maintain and are commonly projected onto the Gaussian policy class. In this work, we show that the limited expressiveness of Gaussian policies severely hinders exploration in DecSPG, and this limitation worsens as the number of agents grows. To address this issue, we propose decentralized diffusion policy learning (DDPL), which parameterizes each agent's policy with a denoising diffusion probabilistic model, an expressive generative model that captures multi-modal action distributions for enhanced exploration. DDPL enables efficient online training of diffusion policies via importance sampling score matching (ISSM), a novel training method with theoretical guarantee. We evaluate DDPL on representative continuous-action MARL benchmarks, including multi-agent particle environment, multi-agent MuJoCo, IsaacLab, and JAX-reimplemented StarCraft multi-agent challenge, and observe consistently improved performance.


Cost-Ordered Feasibility for Multi-Armed Bandits with Cost Subsidy

arXiv.org Machine Learning

The classic multi-armed bandit (MAB) problem tackles the challenge of accruing maximum reward while making decisions under uncertainty. However, in applications, often the goal is to minimize cost subject to a constraint on the minimum permissible reward, an objective captured by multi-armed bandits with cost-subsidy (MAB-CS). Of interest to this paper is the setting where the quality (reward) constraint is specified relative to the unknown best reward and the cost of each arm is known. We characterize the expected sub-optimal samples required by any policy by proving instance-dependent lower bounds that offer new insight into the problem and are a strict generalization of prior bounds. Then, we propose an algorithm called Cost-Ordered Feasibility (COF) that leverages our insight and intelligently combine samples from all arms to gauge the feasibility of a cheap arm. Thereafter, we analyze COF to establish instance-dependent upper bounds on its expected cumulative cost and quality regret, i.e., relative to the cheapest feasible arm. Finally, we empirically validate the merits of COF, comparing it to baselines from the literature through extensive simulation experiments on the MovieLens and Goodreads datasets as well as representative synthetic instances. Not only does our paper develop qualitatively better theoretical regret upper bounds, but COF also convincingly demonstrates improved empirical performance.


Robust Tensor Regression with Nonconvexity: Algorithmic and Statistical Theory

arXiv.org Machine Learning

Tensor regression is an important tool for tensor data analysis, but existing works have not considered the impact of outliers, making them potentially sensitive to such data points. This paper proposes a low tubal rank robust regression method for analyzing high-dimensional tensor data with heavy-tailed random noise. The proposed method is based on a nonconvex relaxation of the tensor tubal rank within a general optimization framework, which allows for nonconvexity in both the loss and penalty functions. We develop an implementable estimation algorithm and establish its global convergence under some mild assumptions. Furthermore, we provide general statistical theories regarding stationary point, including the rates of convergence and bounds on the prediction error. These theoretical results cover many important models, such as linear models, generalized linear models, and Huber regression, and even encompass some nonconvex losses like correntropy and minimum distance criterion-induced losses. Supportive numerical evidence is provided through simulations and application studies.


ProteinJEPA: Latent prediction complements protein language models

arXiv.org Machine Learning

Protein language models are trained primarily with masked language modeling (MLM), which predicts amino-acid identities at masked positions. We ask whether latent-space prediction can complement these token-level objectives under matched wall-clock budget. Across pretrained and random-init protein sequence encoders at 35--150M parameters, we find that the best protein-JEPA design is not all-position latent prediction but a variant: predicting latent targets only at masked positions, and retaining the MLM cross-entropy. We call this recipe masked-position MLM+JEPA. On a 16-task downstream suite (15 frozen linear probes plus SCOPe-40 zero-shot fold retrieval), under matched wall-clock budgets, this recipe wins more tasks than it loses against MLM-only continuation: 10 wins / 3 losses / 3 ties (hereafter W/L/T) on pretrained ESM2-35M, 11/2/3 on ESM2-150M while results in pretraining from scratch are mixed (6/8/2). Gains are seen for multiple models on 11 of 16 tasks, including stability, \b{eta}β\b{eta}-lactamase fitness, variant effect, intrinsic disorder, remote homology, enzyme classification, and SCOPe-40 fold retrieval. Tasks with more losses than wins are Fluorescence (TAPE) and Peptide-HLA Binding. All-position MLM+JEPA matches MLM-only overall but does not reproduce the masked-position gains. JEPA-only (no MLM) collapses in nearly every experiment. We conclude that JEPA, when combined with MLM, is competitive and can outperform pure MLM in pretraining and continued training, even under matched wall-clock budgets.


Open-Ended Task Discovery via Bayesian Optimization

arXiv.org Machine Learning

When applying Bayesian optimization (BO) to scientific workflow, a major yet often overlooked source of uncertainty is the task itself -- namely, what to optimize and how to evaluate it -- which can evolve as evidence accumulates. We introduce Generate-Select-Refine (GSR), a open-ended BO framework that alternates between task generation and task optimization. Starting from a user-provided seed task, GSR generates new tasks in a coarse-to-fine manner while a task-acquisition function schedules optimization. Asymptotically, it concentrates evaluations on the best task, incurring only logarithmic regret overhead relative to single-task BO. We apply GSR to new product development, chemical synthesis scaling, algorithm analysis, and patent repurposing, where it outperforms existing LLM-based optimizers.


Debiased Counterfactual Generation via Flow Matching from Observations

arXiv.org Machine Learning

Estimating counterfactual distributions under interventions is central to treatment risk assessment and counterfactual generation tasks. Existing approaches model the counterfactual distribution as a standalone generative target, without exploiting its relationship to the observational data. In this work, we show that under standard assumptions, observational and counterfactual outcome distributions are tightly linked: they have identical support and tail behavior, remain statistically close under weak confounding, and share any features of high-dimensional outcomes which are invariant to confounders. These properties motivate learning counterfactual distributions not from scratch, but via a deconfounding flow from the observational distribution. We formulate this problem via flow-matching and derive a semiparametrically efficient estimator based on a novel efficient influence function correction. We subsequently extend our estimator to target minimal-energy flows in high-dimensions, which we show can be especially simple targets between observational and counterfactual distributions. In experiments, deconfounding flows outperform existing debiased counterfactual distribution estimators, while also mitigating known failure modes of flow-based methods.


Flow Matching for Count Data

arXiv.org Machine Learning

High-dimensional count data arise in applications such as single-cell RNA sequencing and neural spike trains, where mapping between distributions across successive batches or time points form critical components of data analysis. The recent success of diffusion- and flow-based deep generative models for images, video, and text motivates extending these ideas to count-valued settings, but many existing methods either treat each count as a categorical state or transform counts into a continuous space, neither of which is natural or efficient when the count range is large. We propose count-FM, a flow-matching framework for count data based on a continuous-time birth-death process with local unit jumps. Count-FM learns marginal transitions efficiently in count space through simulation-free training of conditional transition rates, allowing transport between arbitrary count-distributed source and target populations. In simulation, count-FM achieves better sample quality than representative baselines while using substantially fewer parameters. We further apply count-FM to scRNA-seq and neural spike-train data for unconditional generation, transport, and conditional generation. Across these tasks, count-FM yields improved sample quality, greater modeling efficiency, and interpretable transport paths.


POETS: Uncertainty-Aware LLM Optimization via Compute-Efficient Policy Ensembles

arXiv.org Machine Learning

Balancing exploration and exploitation is a core challenge in sequential decision-making and black-box optimization. We introduce POETS ($\textbf{Po}$licy $\textbf{E}$nsembles for $\textbf{T}$hompson $\textbf{S}$ampling), a novel framework that bridges uncertainty quantification and policy optimization. Our approach is grounded in the insight that policies trained with Kullback-Leibler (KL) regularization implicitly encode an underlying reward function. Building on this, POETS bypasses the complex, nested process of training an uncertainty-aware reward model and separately fitting a policy to this model. Instead, we directly train a policy ensemble to capture epistemic uncertainty by matching implicitly encoded reward functions to online, bootstrapped data. To overcome the prohibitive compute and memory constraints of ensembling Large Language Models (LLMs), POETS utilizes an efficient architecture: the ensemble shares a pre-trained backbone while maintaining diversity through independent Low-Rank Adaptation (LoRA) branches. Theoretically, we prove that POETS implicitly conducts KL-regularized Thompson sampling and thus inherits strong cumulative regret bounds of ${\mathcal O}(\sqrt{T γ_T})$. Empirically, we demonstrate that POETS achieves state-of-the-art sample efficiency across diverse scientific discovery domains, including protein search and quantum circuit design. Furthermore, it improves the optimization trajectories of reinforcement learning, proving particularly robust in off-policy settings with experience replay or in small dataset regimes.


Expectation-Maximization as a Spectrally Governed Relaxation Flow

arXiv.org Machine Learning

The expectation--maximization (EM) algorithm combines global monotonicity, local linear convergence, and strong practical robustness, but these features are usually analyzed separately. Global descent is nonlinear, whereas local convergence is governed by the spectrum of the linearized EM map. How these two levels fit into a single dynamical picture has remained less transparent. We make explicit the latent-variable operator that connects them. Along the EM trajectory, the likelihood increment admits a global energy decomposition in terms of posterior-relative entropy. Linearization at a nondegenerate maximizer $θ^\ast$ then reveals the local operator \[ \mathcal G_{θ^\ast}=I-DT(θ^\ast), \] which coincides with both the missing-information ratio and the information-geometric Hessian of the observed likelihood. This operator provides a unified description of local contraction, posterior rigidity, and geometric curvature. Its spectrum yields a sharp characterization of local convergence and naturally leads to an optimal scalar relaxation rule for locally accelerated EM. These results place global descent, local spectral behavior, and optimal local relaxation within a common dynamical framework.