Goto

Collaborating Authors

 constraint


Saddle Networks: Structure-Preserving Architectures for Convex-Concave Functions

arXiv.org Machine Learning

Saddle-point models arise throughout optimization, optimal transport, robust learning, and control. In many applications, the relevant function f(x,y) is convex in x and concave in y, and preserving this geometry is essential for obtaining tractable min--max formulations and reliable certificates. We introduce a structured separable decomposition that preserves the convex-concave geometry and prove a complete one-dimensional approximation theorem under a mixed Monge-type convexity condition. We then describe practical saddle network architectures that preserve convexity in x and concavity in y by construction. The proposed architectures require only convexity-preserving neural networks, together with simple output transformations enforcing sign and concavity constraints. Finally, we report numerical benchmarks in dimension 1 and 5, showing that the proposed saddle networks achieve high accuracy on smooth, nonsmooth, and high-rank convex--concave test functions.


Theoretical Foundations and Effective Algorithms for Policy-Aware Simulator Learning

arXiv.org Machine Learning

Model-based reinforcement learning (MBRL) agents typically learn world models by minimizing predictive loss. However, powerful RL optimizers inevitably exploit minor model inaccuracies, leading to simulator exploitation and a reality gap where policies succeed in simulation but fail in the real world. We propose that the objective for learning simulators should be strategic robustness rather than predictive accuracy, and formulate this as a zero-sum minimax game between a model player and an adversarial policy player. We provide a comprehensive theoretical analysis: (1) an online learning guarantee showing the game is learnable with sublinear regret bounds; (2) a tractable critic-based simplification bounding the global policy-value gap by the local critic's loss; and (3) an Error-MDP duality, proving that finding the worst-case policy is formally dual to a standard RL problem where the reward is the one-step critic error. This duality yields a provably convergent active data selection algorithm. Experiments on continuous control tasks demonstrate that our approach reduces prediction error in strategically important regions by $1.5$-$2.2\times$ and enables policies trained purely in simulation to match near-optimal real-world performance.


Geometry of Relaxed Fair Regression: A Unified Framework for Aware and Unaware Settings

arXiv.org Machine Learning

Fairness-accuracy trade-offs are a central concern in the deployment of fairness-aware machine learning methods. When sensitive attributes are unavailable at inference time-the so called unawareness setting, principled methods for obtaining accurate predictions under relaxed fairness constraints are largely missing. In this work, we address this gap by formulating regression under a demographic parity penalty as an optimal transport problem. Our framework unifies both the \emph{aware} and \emph{unaware} settings and characterizes optimal prediction functions via optimal transport maps, under both squared Wasserstein-2 and Total Variation penalties. These results reveal that the choice of penalty reflects fundamentally different fairness philosophies: the Wasserstein penalty induces a smooth, population-wide compromise, while Total Variation enforces exact parity for a subset of individuals. Building on these theoretical characterizations, we propose an algorithm that is simple to implement, computationally efficient, and consistently matches or outperforms state-of-the-art baselines on real-world benchmarks.


Counterfactually Fair Regression via Optimal Transport

arXiv.org Machine Learning

We consider the problem of learning a counterfactually fair regressor. We adopt a causal uncertainty view in which counterfactual fairness is defined with resampled noise. We focus on obtaining theoretical fairness guarantees for a new post-processing estimator. We begin by showing that counterfactual fairness is equivalent to satisfying demographic parity conditional on the latent variable. This allows us to provide a closed-form expression of the optimal fair regressor via a barycentric quantile map. In order to handle continuous latent variables, we propose a discretized post-processing method. Then, under mild regularity assumptions, we prove high-probability finite-sample fairness guarantees for our estimator, providing an unfairness decay at rate $\tilde O(n^{-1/3})$, and establishing a matching risk bound of order $\tilde O(n^{-1/3})$. We provide a matching lower bound on the excess risk of almost fair predictions. Finally, we extend our results to the setting of relaxed counterfactual fairness. We validate our approach on real-world and synthetic data.


Provably Data-driven Lagrangian Relaxation for Mixed Integer Linear Programming

arXiv.org Machine Learning

Lagrangian Relaxation (LR) is a powerful technique for solving large-scale Mixed Integer Linear Programming (MILP), particularly those with decomposable structures, such as vehicle routing or unit commitment problems. By relaxing the coupling constraints, LR enables parallel subproblem solving and often yields tighter dual bounds than standard linear programming relaxations, which is crucial for efficient branch-and-bound pruning. While recent empirical work has shown promising results using machine learning to predict these multipliers, a theoretical understanding of such methods remains an open question. In this work, we bridge this gap by analyzing the problem of learning LR through the lens of Data-driven Algorithm Design, i.e., a statistical learning problem over a distribution of problem instances. Our contributions are as follows: first, we derive a generalization bound of $\mathcal{O}(s^{1.5}/\sqrt{N})$ for the learned multipliers, where $s$ is the number of coupling constraints and $N$ is the sample size. Second, we provide a minimax lower-bound of $ฮฉ(s/\sqrt{N})$, proving that a linear dependency is unavoidable. Third, we constructively close this theoretical gap by proving that Stochastic Gradient Ascent (SGA) with averaging achieves the minimax optimal rate $ฮ˜(s/\sqrt{N})$. Finally, we extend our framework to the learning-to-warm-start setting, proving that it achieves a fast, minimax-optimal rate of $ฮ˜(s/N)$ and establishing a theoretical advantage over direct multiplier prediction.


A PAC-Bayesian View of Generalisation for Physics-Informed Machine Learning

arXiv.org Machine Learning

Physics-informed machine learning (PIML) integrates mechanistic knowledge, typically in the form of partial differential equations (PDE), into data-driven models. Despite strong empirical performance, its statistical generalisation properties remain poorly understood, particularly in the regression setting with unbounded losses. Existing analyses rely on approximation or stability arguments and do not fully capture how physical structure influences generalisation from finite data. In this work, we develop a PAC-Bayesian framework for PIML that provides high-probability generalisation guarantees in the presence of unbounded losses. We adopt a multi-task perspective that jointly treats data fidelity, PDE residuals, initial and boundary conditions, avoiding the looseness induced by standard union-bound approaches. Our analysis leverages the structure of physics-informed objectives to derive novel bounds where the complexity scales with input-gradient norms of the losses, revealing a direct link between physical regularity and generalisation. We instantiate this framework under Sobolev and Poincarรฉ-type assumptions, yielding two classes of bounds that trade off statistical complexity and smoothness in different regimes. Building on these results, we propose a self-bounding-aware learning algorithm that directly optimises tractable surrogates of the derived bounds, along with a practical procedure to estimate the associated constants in realistic settings. Empirical evaluations on standard PDE benchmarks demonstrate that our bounds are non-vacuous, significantly tighter than union-bound baselines, and can be effectively minimised during training. Overall, our results provide a principled statistical foundation for the generalisation of physics-informed models.


Constrained Bayesian Experimental Design via Online Planning

arXiv.org Machine Learning

Bayesian experimental design (BED) is a principled framework for data-efficient design of sequential experiments. However, existing BED methods are unable to adapt to dynamic constraints inherent in real-world tasks due to budget limitations, varying costs, or physical constraints that restrict how designs evolve over time. In this paper, we introduce a novel approach to BED that enables constrained optimization of experimental designs by combining offline pre-training of an amortized policy and a posterior network with online multi-step lookahead planning using scenario trees. We empirically demonstrate that our method yields substantially more informative design sequences than existing methods across a range of constrained BED tasks, while incurring only a modest additional computational overhead.


Nonlinear Data Integration via Kernel Methods for Data Collaboration Analysis

arXiv.org Machine Learning

Collaborative analysis of decentralized confidential datasets is important, but direct sharing of original datasets is often restricted by privacy and institutional constraints. Data collaboration (DC) analysis transforms each dataset into privacy-preserving intermediate representations via party-specific obfuscation functions and integrates them into common collaboration representations using an anchor dataset. However, many existing DC analysis methods rely on linear transformations for data obfuscation and integration, which may increase reconstruction risk. Although nonlinear dimensionality reduction can mitigate this risk, conventional linear integration methods cannot accurately align intermediate representations produced by nonlinear transformations. Moreover, existing integration methods mainly minimize discrepancies among parties and do not explicitly incorporate geometric or target-variable information useful for downstream analysis. To overcome these limitations, we first formulate linear kernel integration (LKI) as a linear integration method and then kernelize it to obtain nonlinear kernel integration (NKI). NKI admits a globally optimal solution via kernel ridge regression and an eigenvalue problem. We also introduce graph regularization and a centering constraint so that the target representation can capture geometric and target-variable information useful for downstream analysis. Experiments on image classification tasks demonstrate that NKI improves classification accuracy over existing linear integration methods under nonlinear dimensionality reduction, with further gains from target-variable-aware graph regularization and centering. The results also show that dimensionality reduction choices substantially affect both classification accuracy and reconstruction risk.


Inverse Control Constrained Optimization of Vessel Speed Decisions Under Environmental Risk: Evidence from Arctic Shipping

arXiv.org Machine Learning

Understanding how decision makers balance operational efficiency with environmental and ecological risks is central to vessel navigation. We model vessel speed as a control variable in a constrained optimization framework in which vessel operators balance multiple competing objectives, including transit efficiency, ice related navigational risk, and whale related ecological risk. The underlying risk parameters are estimated using over 14 million Automatic Identification System (AIS) observations from the United States Arctic (2010-2019), together with environmental covariates and spatially explicit whale density estimates. The framework incorporates a nonlinear risk objective, vessel heterogeneity, and regularization to ensure stable and interpretable results.The inferred trade offs reveal distinct decision making patterns across vessel groups and navigational statuses. Vessel types such as Tug Tow and Cargo balance operational speed with environmental and ecological considerations. In contrast, several vessel groups, including Fishing, Passenger, and Unspecified vessels, are strongly influenced by ice related risk, while Pleasure Craft and Tankers exhibit higher sensitivity to whale related risk. Across navigational status categories, similar heterogeneity is observed. The dominant status, under way using engine, displays a clear trade off, whereas other statuses, such as aground and undefined, are strongly shaped by ice related constraints. Statuses including restricted maneuverability and engaged in fishing exhibit higher estimated sensitivity to whale related risk, though with substantial uncertainty.Sensitivity analysis indicates that increasing whale-related risk weighting produces limited changes in model-implied optimal speed, whereas increasing ice-related risk leads to more consistent reductions.


Assessing the Operational Viability of Foundation Models for Time Series Forecasting

arXiv.org Machine Learning

Time series forecasting drives operational decisions in areas like finance, transportation, and energy. While supervised learning approaches achieve strong performance, they require domain-specific training, feature engineering, and ongoing maintenance. Large-scale foundation models have recently emerged as a zero-shot alternative, avoiding task-specific training much like LLMs. In this work, we evaluate foundation models against standard supervised approaches. Rather than focusing solely on aggregate accuracy, we analyze performance across four operational regimes: periodic human-centric systems, physically constrained processes, stochastic financial markets, and heterogeneous demand forecasting. Our results characterize optimal deployment areas. Foundation models perform well in domains with transferable periodic structures and are efficient for cold-start or long-tail scenarios. Conversely, supervised specialists maintain higher precision in systems governed by strict physical constraints. In financial domains, newer foundation models are rapidly closing the performance gap with supervised specialists. We further quantify trade-offs in inference latency, data drift adaptability, and deployment constraints. Finally, we propose a Complexity Router that assigns each series to the optimal model class using empirical features. We demonstrate that this selective routing achieves higher accuracy and significantly lower inference costs compared to deploying a universal foundation model, providing a practical framework for balancing generalization and efficiency.