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 distributional shift



Robust Bayesian Satisficing

Neural Information Processing Systems

Distributional shifts pose a significant challenge to achieving robustness in contemporary machine learning. To overcome this challenge, robust satisficing (RS) seeks a robust solution to an unspecified distributional shift while achieving a utility above a desired threshold. This paper focuses on the problem of RS in contextual Bayesian optimization when there is a discrepancy between the true and reference distributions of the context. We propose a novel robust Bayesian satisficing algorithm called RoBOS for noisy black-box optimization.



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Neural Information Processing Systems

Evaluating the performance of machine learning models on diverse and underrepresented subgroups is essential for ensuring fairness and reliability in real-world applications. However, accurately assessing model performance becomes challenging due to two main issues: (1) a scarcity of test data, especially for small subgroups, and (2) possible distributional shifts in the model's deployment setting, which may not align with the available test data. In this work, we introduce 3STesting, a deep generative modeling framework to facilitate model evaluation by generating synthetic test sets for small subgroups and simulating distributional shifts. Our experiments demonstrate that 3STesting outperforms traditional baselines--including real test data alone--in estimating model performance on minority subgroups and under plausible distributional shifts. In addition, 3S offers intervals around its performance estimates, exhibiting superior coverage of the ground truth compared to existing approaches. Overall, these results raise the question of whether we need a paradigm shift away from limited real test data towards synthetic test data.


Generative models for decision-making under distributional shift

arXiv.org Machine Learning

Many data-driven decision problems are formulated using a nominal distribution estimated from historical data, while performance is ultimately determined by a deployment distribution that may be shifted, context-dependent, partially observed, or stress-induced. This tutorial presents modern generative models, particularly flow- and score-based methods, as mathematical tools for constructing decision-relevant distributions. From an operations research perspective, their primary value lies not in unconstrained sample synthesis but in representing and transforming distributions through transport maps, velocity fields, score fields, and guided stochastic dynamics. We present a unified framework based on pushforward maps, continuity, Fokker-Planck equations, Wasserstein geometry, and optimization in probability space. Within this framework, generative models can be used to learn nominal uncertainty, construct stressed or least-favorable distributions for robustness, and produce conditional or posterior distributions under side information and partial observation. We also highlight representative theoretical guarantees, including forward-reverse convergence for iterative flow models, first-order minimax analysis in transport-map space, and error-transfer bounds for posterior sampling with generative priors. The tutorial provides a principled introduction to using generative models for scenario generation, robust decision-making, uncertainty quantification, and related problems under distributional shift.


Probabilistic Geometric Alignment via Bayesian Latent Transport for Domain-Adaptive Foundation Models

arXiv.org Machine Learning

Adapting large-scale foundation models to new domains with limited supervision remains a fundamental challenge due to latent distribution mismatch, unstable optimization dynamics, and miscalibrated uncertainty propagation. This paper introduces an uncertainty-aware probabilistic latent transport framework that formulates domain adaptation as a stochastic geometric alignment problem in representation space. A Bayesian transport operator is proposed to redistribute latent probability mass along Wasserstein-type geodesic trajectories, while a PAC-Bayesian regularization mechanism constrains posterior model complexity to mitigate catastrophic overfitting. The proposed formulation yields theoretical guarantees on convergence stability, loss landscape smoothness, and sample efficiency under distributional shift. Empirical analyses demonstrate substantial reduction in latent manifold discrepancy, accelerated transport energy decay, and improved covariance calibration compared with deterministic fine-tuning and adversarial domain adaptation baselines. Furthermore, bounded posterior uncertainty evolution indicates enhanced probabilistic reliability during cross-domain transfer. By establishing a principled connection between stochastic optimal transport geometry and statistical generalization theory, the proposed framework provides new insights into robust adaptation of modern foundation architectures operating in heterogeneous environments. These findings suggest that uncertainty-aware probabilistic alignment constitutes a promising paradigm for reliable transfer learning in next-generation deep representation systems.


GraphMETRO: Mitigating Complex Graph Distribution Shifts via Mixture of Aligned Experts

Neural Information Processing Systems

Graph data are inherently complex and heterogeneous, leading to a high natural diversity of distributional shifts. However, it remains unclear how to build machine learning architectures that generalize to the complex distributional shifts naturally occurring in the real world. Here, we develop GraphMETRO, a Graph Neural Network architecture that models natural diversity and captures complex distributional shifts. GraphMETRO employs a Mixture-of-Experts (MoE) architecture with a gating model and multiple expert models, where each expert model targets a specific distributional shift to produce a referential representation w.r.t. a reference model, and the gating model identifies shift components. Additionally, we design a novel objective that aligns the representations from different expert models to ensure reliable optimization. GraphMETRO achieves state-of-the-art results on four datasets from the GOOD benchmark, which is comprised of complex and natural real-world distribution shifts, improving by 67% and 4.2% on the WebKB and Twitch datasets.