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Neural Information Processing Systems

Summary of paper: The paper studies a class of asynchronous methods to solving optimization problems in which the objective function is an integral functional of a random process or variable integrated against a probability measure. The class of problem assumed is that the argument of the functional for each non-zero measure set or outcome in the sample space upon which the measure is defined will produce a convex function. In this case the authors demonstrate that asymptotically, completely asynchronous stochastic gradient procedures achieve optimal convergence rates for the solution of convex optimization problems under nearly the same conditions required for asymptotic optimality of standard stochastic gradient procedures. The authors are able to then propose based on these results specialised asynchronous procedures based on multi-core parallelization schemes for stochastic gradient based optimization algorithms which behave analogously to synchronous procedures. Quality: The problem statement and all assumptions are very carefully set out and clearly written and explained with regard to the meaning and significance of such assumptions.


Gen-DFL: Decision-Focused Generative Learning for Robust Decision Making

arXiv.org Artificial Intelligence

Decision-focused learning (DFL) integrates predictive models with downstream optimization, directly training machine learning models to minimize decision errors. While DFL has been shown to provide substantial advantages when compared to a counterpart that treats the predictive and prescriptive models separately, it has also been shown to struggle in high-dimensional and risk-sensitive settings, limiting its applicability in real-world settings. To address this limitation, this paper introduces decision-focused generative learning (Gen-DFL), a novel framework that leverages generative models to adaptively model uncertainty and improve decision quality. Instead of relying on fixed uncertainty sets, Gen-DFL learns a structured representation of the optimization parameters and samples from the tail regions of the learned distribution to enhance robustness against worst-case scenarios. This approach mitigates over-conservatism while capturing complex dependencies in the parameter space. The paper shows, theoretically, that Gen-DFL achieves improved worst-case performance bounds compared to traditional DFL. Empirically, it evaluates Gen-DFL on various scheduling and logistics problems, demonstrating its strong performance against existing DFL methods.


Automatic Prompt Optimization Techniques: Exploring the Potential for Synthetic Data Generation

arXiv.org Artificial Intelligence

Artificial Intelligence (AI) advancement is heavily dependent on access to large-scale, high-quality training data. However, in specialized domains such as healthcare, data acquisition faces significant constraints due to privacy regulations, ethical considerations, and limited availability. While synthetic data generation offers a promising solution, conventional approaches typically require substantial real data for training generative models. The emergence of large-scale prompt-based models presents new opportunities for synthetic data generation without direct access to protected data. However, crafting effective prompts for domain-specific data generation remains challenging, and manual prompt engineering proves insufficient for achieving output with sufficient precision and authenticity. We review recent developments in automatic prompt optimization, following PRISMA guidelines. We analyze six peer-reviewed studies published between 2020 and 2024 that focus on automatic data-free prompt optimization methods. Our analysis reveals three approaches: feedback-driven, error-based, and control-theoretic. Although all approaches demonstrate promising capabilities in prompt refinement and adaptation, our findings suggest the need for an integrated framework that combines complementary optimization techniques to enhance synthetic data generation while minimizing manual intervention. We propose future research directions toward developing robust, iterative prompt optimization frameworks capable of improving the quality of synthetic data. This advancement can be particularly crucial for sensitive fields and in specialized domains where data access is restricted, potentially transforming how we approach synthetic data generation for AI development.


Training-Free Constrained Generation With Stable Diffusion Models

arXiv.org Artificial Intelligence

Stable diffusion models represent the state-of-the-art in data synthesis across diverse domains and hold transformative potential for applications in science and engineering, e.g., by facilitating the discovery of novel solutions and simulating systems that are computationally intractable to model explicitly. However, their current utility in these fields is severely limited by an inability to enforce strict adherence to physical laws and domain-specific constraints. Without this grounding, the deployment of such models in critical applications, ranging from material science to safety-critical systems, remains impractical. This paper addresses this fundamental limitation by proposing a novel approach to integrate stable diffusion models with constrained optimization frameworks, enabling them to generate outputs that satisfy stringent physical and functional requirements. We demonstrate the effectiveness of this approach through material science experiments requiring adherence to precise morphometric properties, inverse design problems involving the generation of stress-strain responses using video generation with a simulator in the loop, and safety settings where outputs must avoid copyright infringement.


Riemannian Manifold Learning for Stackelberg Games with Neural Flow Representations

arXiv.org Artificial Intelligence

We present a novel framework for online learning in Stackelberg general-sum games, where two agents, the leader and follower, engage in sequential turn-based interactions. At the core of this approach is a learned diffeomorphism that maps the joint action space to a smooth Riemannian manifold, referred to as the Stackelberg manifold. This mapping, facilitated by neural normalizing flows, ensures the formation of tractable isoplanar subspaces, enabling efficient techniques for online learning. By assuming linearity between the agents' reward functions on the Stackelberg manifold, our construct allows the application of standard bandit algorithms. We then provide a rigorous theoretical basis for regret minimization on convex manifolds and establish finite-time bounds on simple regret for learning Stackelberg equilibria. This integration of manifold learning into game theory uncovers a previously unrecognized potential for neural normalizing flows as an effective tool for multi-agent learning. We present empirical results demonstrating the effectiveness of our approach compared to standard baselines, with applications spanning domains such as cybersecurity and economic supply chain optimization.


Transfer Learning of Surrogate Models via Domain Affine Transformation Across Synthetic and Real-World Benchmarks

arXiv.org Artificial Intelligence

Surrogate models are frequently employed as efficient substitutes for the costly execution of real-world processes. However, constructing a high-quality surrogate model often demands extensive data acquisition. A solution to this issue is to transfer pre-trained surrogate models for new tasks, provided that certain invariances exist between tasks. This study focuses on transferring non-differentiable surrogate models (e.g., random forest) from a source function to a target function, where we assume their domains are related by an unknown affine transformation, using only a limited amount of transfer data points evaluated on the target. Previous research attempts to tackle this challenge for differentiable models, e.g., Gaussian process regression, which minimizes the empirical loss on the transfer data by tuning the affine transformations. In this paper, we extend the previous work to the random forest model and assess its effectiveness on a widely-used artificial problem set - Black-Box Optimization Benchmark (BBOB) testbed, and on four real-world transfer learning problems. The results highlight the significant practical advantages of the proposed method, particularly in reducing both the data requirements and computational costs of training surrogate models for complex real-world scenarios.


Towards Autonomous Experimentation: Bayesian Optimization over Problem Formulation Space for Accelerated Alloy Development

arXiv.org Machine Learning

Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem formulation space to identify optimal design formulations in line with decision-maker preferences. By mapping various design scenarios to a multi attribute utility function, our approach enables the system to balance conflicting objectives such as ductility, yield strength, density, and solidification range without requiring an exact problem definition at the outset. We demonstrate the efficacy of our method through an in silico case study on a Mo-Nb-Ti-V-W alloy system targeted for gas turbine engine blade applications. The framework converges on a sweet spot that satisfies critical performance thresholds, illustrating that integrating problem formulation discovery into the autonomous design loop can significantly streamline the experimental process. Future work will incorporate human feedback to further enhance the adaptability of the system in real-world experimental settings.


Impact of Data Poisoning Attacks on Feasibility and Optimality of Neural Power System Optimizers

arXiv.org Artificial Intelligence

The increased integration of clean yet stochastic energy resources and the growing number of extreme weather events are narrowing the decision-making window of power grid operators. This time constraint is fueling a plethora of research on Machine Learning-, or ML-, based optimization proxies. While finding a fast solution is appealing, the inherent vulnerabilities of the learning-based methods are hindering their adoption. One of these vulnerabilities is data poisoning attacks, which adds perturbations to ML training data, leading to incorrect decisions. The impact of poisoning attacks on learning-based power system optimizers have not been thoroughly studied, which creates a critical vulnerability. In this paper, we examine the impact of data poisoning attacks on ML-based optimization proxies that are used to solve the DC Optimal Power Flow problem. Specifically, we compare the resilience of three different methods-a penalty-based method, a post-repair approach, and a direct mapping approach-against the adverse effects of poisoning attacks. We will use the optimality and feasibility of these proxies as performance metrics. The insights of this work will establish a foundation for enhancing the resilience of neural power system optimizers.


Data efficient Robotic Object Throwing with Model-Based Reinforcement Learning

arXiv.org Artificial Intelligence

Pick-and-place (PnP) operations, featuring object grasping and trajectory planning, are fundamental in industrial robotics applications. Despite many advancements in the field, PnP is limited by workspace constraints, reducing flexibility. Pick-and-throw (PnT) is a promising alternative where the robot throws objects to target locations, leveraging extrinsic resources like gravity to improve efficiency and expand the workspace. However, PnT execution is complex, requiring precise coordination of high-speed movements and object dynamics. Solutions to the PnT problem are categorized into analytical and learning-based approaches. Analytical methods focus on system modeling and trajectory generation but are time-consuming and offer limited generalization. Learning-based solutions, in particular Model-Free Reinforcement Learning (MFRL), offer automation and adaptability but require extensive interaction time. This paper introduces a Model-Based Reinforcement Learning (MBRL) framework, MC-PILOT, which combines data-driven modeling with policy optimization for efficient and accurate PnT tasks. MC-PILOT accounts for model uncertainties and release errors, demonstrating superior performance in simulations and real-world tests with a Franka Emika Panda manipulator. The proposed approach generalizes rapidly to new targets, offering advantages over analytical and Model-Free methods.


Review for NeurIPS paper: Adaptive Online Estimation of Piecewise Polynomial Trends

Neural Information Processing Systems

This paper considers the online trend estimation in the non-stationary stochastic optimization framework, where the comparator sequence satisfy certain variational constraints. The main contribution is a polynomial time policy extending Vovk-Azoury-Warmuth forecaster the achieves the minimax optimal rate for dynamic regret. All reviewers liked the paper, appreciating connecting the batch non-parametric regression to online stochastic optimization, techniques from wavelet computation, a model based on variational constraints which nicely captures sparsity and intensity of changes, and the (asymptotically) optimal algorithm.