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Evolving Excellence: Automated Optimization of LLM-based Agents

arXiv.org Artificial Intelligence

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations; poorly tuned prompts, tool descriptions, and parameters that typically require weeks of manual refinement. Existing optimization methods either are too complex for general use or treat components in isolation, missing critical interdependencies. We present ARTEMIS, a no-code evolutionary optimization platform that jointly optimizes agent configurations through semantically-aware genetic operators. Given only a benchmark script and natural language goals, ARTEMIS automatically discovers configurable components, extracts performance signals from execution logs, and evolves configurations without requiring architectural modifications. We evaluate ARTEMIS on four representative agent systems: the \emph{ALE Agent} for competitive programming on AtCoder Heuristic Contest, achieving a \textbf{$13.6\%$ improvement} in acceptance rate; the \emph{Mini-SWE Agent} for code optimization on SWE-Perf, with a statistically significant \textbf{10.1\% performance gain}; and the \emph{CrewAI Agent} for cost and mathematical reasoning on Math Odyssey, achieving a statistically significant \textbf{$36.9\%$ reduction} in the number of tokens required for evaluation. We also evaluate the \emph{MathTales-Teacher Agent} powered by a smaller open-source model (Qwen2.5-7B) on GSM8K primary-level mathematics problems, achieving a \textbf{22\% accuracy improvement} and demonstrating that ARTEMIS can optimize agents based on both commercial and local models.


Low Rank Support Quaternion Matrix Machine

arXiv.org Machine Learning

Input features are conventionally represented as vectors, matrices, or third order tensors in the real field, for color image classification. Inspired by the success of quaternion data modeling for color images in image recovery and denoising tasks, we propose a novel classification method for color image classification, named as the Low-rank Support Quaternion Matrix Machine (LSQMM), in which the RGB channels are treated as pure quaternions to effectively preserve the intrinsic coupling relationships among channels via the quaternion algebra. For the purpose of promoting low-rank structures resulting from strongly correlated color channels, a quaternion nuclear norm regularization term, serving as a natural extension of the conventional matrix nuclear norm to the quaternion domain, is added to the hinge loss in our LSQMM model. An Alternating Direction Method of Multipliers (ADMM)-based iterative algorithm is designed to effectively resolve the proposed quaternion optimization model. Experimental results on multiple color image classification datasets demonstrate that our proposed classification approach exhibits advantages in classification accuracy, robustness and computational efficiency, compared to several state-of-the-art methods using support vector machines, support matrix machines, and support tensor machines.


Worst-case generation via minimax optimization in Wasserstein space

arXiv.org Machine Learning

In many high-stakes engineering and operational systems, such as autonomous vehicles [71], power systems [55], and healthcare [24], the outcomes that are most consequential for reliability, risk management, and decision-making arise not from typical observations, but from low-probability, high-impact scenarios situated at the periphery of the data-generating distribution. Such scenarios--stemming from atypical environmental conditions, irregular system configurations, or broader distributional shifts--often exert disproportionate influence on system performance. Yet, they are intrinsically difficult to observe, anticipate, or replicate through standard data-driven methods. Consequently, the ability to systematically construct informative worst-case samples is essential for rigorous stress testing, robustness certification, and the evaluation of models under meaningful but unobserved operating regimes. This need aligns with recent developments in generative modeling aimed at extreme-scenario synthesis, thereby enabling the identification of structural vulnerabilities that remain obscured under nominal data conditions. A natural framework for representing inference or decision-making systems under such worst-case scenarios is distributionally robust optimization (DRO), which minimizes expected loss over an ambiguity set of probability distributions and thereby provides a principled mechanism for modeling distributional uncertainty in stochastic optimization. Within this paradigm, Wasserstein DRO has emerged as a popular approach due to its geometry-aware ambiguity sets, which both capture realistic data perturbations and offer strong out-of-sample guarantees.


Inverse Optimality for Fair Digital Twins: A Preference-based approach

arXiv.org Artificial Intelligence

Digital Twins (DTs) are increasingly used as autonomous decision-makers in complex socio-technical systems. However, their mathematically optimal decisions often diverge from human expectations, revealing a persistent mismatch between algorithmic and bounded human rationality. This work addresses this challenge by proposing a framework that introduces fairness as a learnable objective within optimization-based Digital Twins. In this respect, a preference-driven learning workflow that infers latent fairness objectives directly from human pairwise preferences over feasible decisions is introduced. A dedicated Siamese neural network is developed to generate convex quadratic cost functions conditioned on contextual information. The resulting surrogate objectives drive the optimization procedure toward solutions that better reflect human-perceived fairness while maintaining computational efficiency. The effectiveness of the approach is demonstrated on a COVID-19 hospital resource allocation scenario. Overall, this work offers a practical solution to integrate human-centered fairness into the design of autonomous decision-making systems.


Performance Comparison of Aerial RIS and STAR-RIS in 3D Wireless Environments

arXiv.org Artificial Intelligence

Reconfigurable intelligent surface (RIS) and simultaneously transmitting and reflecting RIS (STAR-RIS) have emerged as key enablers for enhancing wireless coverage and capacity in next-generation networks. When mounted on unmanned aerial vehicles (UAVs), they benefit from flexible deployment and improved line-of-sight conditions. Despite their promising potential, a comprehensive performance comparison between aerial RIS and STAR-RIS architectures has not been thoroughly investigated. This letter presents a detailed performance comparison between aerial RIS and STAR-RIS in three-dimensional wireless environments. Accurate channel models incorporating directional radiation patterns are established, and the influence of deployment altitude and orientation is thoroughly examined. To optimize the system sum-rate, we formulate joint optimization problems for both architectures and propose an efficient solution based on the weighted minimum mean square error and block coordinate descent algorithms. Simulation results reveal that STAR-RIS outperforms RIS in low-altitude scenarios due to its full-space coverage capability, whereas RIS delivers better performance near the base station at higher altitudes. The findings provide practical insights for the deployment of aerial intelligent surfaces in future 6G communication systems.


Gradient-Informed Monte Carlo Fine-Tuning of Diffusion Models for Low-Thrust Trajectory Design

arXiv.org Artificial Intelligence

Preliminary mission design of low-thrust spacecraft trajectories in the Circular Restricted Three-Body Problem is a global search characterized by a complex objective landscape and numerous local minima. Formulating the problem as sampling from an unnormalized distribution supported on neighborhoods of locally optimal solutions, provides the opportunity to deploy Markov chain Monte Carlo methods and generative machine learning. In this work, we extend our previous self-supervised diffusion model fine-tuning framework to employ gradient-informed Markov chain Monte Carlo. We compare two algorithms - the Metropolis-Adjusted Langevin Algorithm and Hamiltonian Monte Carlo - both initialized from a distribution learned by a diffusion model. Derivatives of an objective function that balances fuel consumption, time of flight and constraint violations are computed analytically using state transition matrices. We show that incorporating the gradient drift term accelerates mixing and improves convergence of the Markov chain for a multi-revolution transfer in the Saturn-Titan system. Among the evaluated methods, MALA provides the best trade-off between performance and computational cost. Starting from samples generated by a baseline diffusion model trained on a related transfer, MALA explicitly targets Pareto-optimal solutions. Compared to a random walk Metropolis algorithm, it increases the feasibility rate from 17.34% to 63.01% and produces a denser, more diverse coverage of the Pareto front. By fine-tuning a diffusion model on the generated samples and associated reward values with reward-weighted likelihood maximization, we learn the global solution structure of the problem and eliminate the need for a tedious separate data generation phase.


From Accuracy to Impact: The Impact-Driven AI Framework (IDAIF) for Aligning Engineering Architecture with Theory of Change

arXiv.org Artificial Intelligence

This paper introduces the Impact-Driven AI Framework (IDAIF), a novel architectural methodology that integrates Theory of Change (ToC) principles with modern artificial intelligence system design. As AI systems increasingly influence high-stakes domains including healthcare, finance, and public policy, the alignment problem--ensuring AI behavior corresponds with human values and intentions--has become critical. Current approaches predominantly optimize technical performance metrics while neglecting the sociotechnical dimensions of AI deployment. IDAIF addresses this gap by establishing a systematic mapping between ToC's five-stage model (Inputs-Activities-Outputs-Outcomes-Impact) and corresponding AI architectural layers (Data Layer-Pipeline Layer-Inference Layer-Agentic Layer-Normative Layer). Each layer incorporates rigorous theoretical foundations: multi-objective Pareto optimization for value alignment, hierarchical multi-agent orchestration for outcome achievement, causal directed acyclic graphs (DAGs) for hallucination mitigation, and adversarial debiasing with Reinforcement Learning from Human Feedback (RLHF) for fairness assurance. We provide formal mathematical formulations for each component and introduce an Assurance Layer that manages assumption failures through guardian architectures. Three case studies demonstrate IDAIF application across healthcare, cybersecurity, and software engineering domains. This framework represents a paradigm shift from model-centric to impact-centric AI development, providing engineers with concrete architectural patterns for building ethical, trustworthy, and socially beneficial AI systems.


Minimizing Layerwise Activation Norm Improves Generalization in Federated Learning

arXiv.org Artificial Intelligence

Federated Learning (FL) is an emerging machine learning framework that enables multiple clients (coordinated by a server) to collaboratively train a global model by aggregating the locally trained models without sharing any client's training data. It has been observed in recent works that learning in a federated manner may lead the aggregated global model to converge to a 'sharp minimum' thereby adversely affecting the generalizability of this FL-trained model. Therefore, in this work, we aim to improve the generalization performance of models trained in a federated setup by introducing a 'flatness' constrained FL optimization problem. This flatness constraint is imposed on the top eigenvalue of the Hessian computed from the training loss. As each client trains a model on its local data, we further re-formulate this complex problem utilizing the client loss functions and propose a new computationally efficient regularization technique, dubbed 'MAN,' which Minimizes Activation's Norm of each layer on client-side models. We also theoretically show that minimizing the activation norm reduces the top eigenvalue of the layer-wise Hessian of the client's loss, which in turn decreases the overall Hessian's top eigenvalue, ensuring convergence to a flat minimum. We apply our proposed flatness-constrained optimization to the existing FL techniques and obtain significant improvements, thereby establishing new state-of-the-art.


Robust equilibria in continuous games: From strategic to dynamic robustness

arXiv.org Artificial Intelligence

In this paper, we examine the robustness of Nash equilibria in continuous games, under both strategic and dynamic uncertainty. Starting with the former, we introduce the notion of a robust equilibrium as those equilibria that remain invariant to small -- but otherwise arbitrary -- perturbations to the game's payoff structure, and we provide a crisp geometric characterization thereof. Subsequently, we turn to the question of dynamic robustness, and we examine which equilibria may arise as stable limit points of the dynamics of "follow the regularized leader" (FTRL) in the presence of randomness and uncertainty. Despite their very distinct origins, we establish a structural correspondence between these two notions of robustness: strategic robustness implies dynamic robustness, and, conversely, the requirement of strategic robustness cannot be relaxed if dynamic robustness is to be maintained. Finally, we examine the rate of convergence to robust equilibria as a function of the underlying regularizer, and we show that entropically regularized learning converges at a geometric rate in games with affinely constrained action spaces.


Improving the Sensitivity of Backdoor Detectors via Class Subspace Orthogonalization

arXiv.org Artificial Intelligence

Most post-training backdoor detection methods rely on attacked models exhibiting extreme outlier detection statistics for the target class of an attack, compared to non-target classes. However, these approaches may fail: (1) when some (non-target) classes are easily discriminable from all others, in which case they may naturally achieve extreme detection statistics (e.g., decision confidence); and (2) when the backdoor is subtle, i.e., with its features weak relative to intrinsic class-discriminative features. A key observation is that the backdoor target class has contributions to its detection statistic from both the backdoor trigger and from its intrinsic features, whereas non-target classes only have contributions from their intrinsic features. To achieve more sensitive detectors, we thus propose to suppress intrinsic features while optimizing the detection statistic for a given class. For non-target classes, such suppression will drastically reduce the achievable statistic, whereas for the target class the (significant) contribution from the backdoor trigger remains. In practice, we formulate a constrained optimization problem, leveraging a small set of clean examples from a given class, and optimizing the detection statistic while orthogonalizing with respect to the class's intrinsic features. We dub this plug-and-play approach Class Subspace Orthogonalization (CSO) and assess it against challenging mixed-label and adaptive attacks.