When deploying machine learning estimators in science and engineering (SAE) domains, it is critical to avoid failed estimations that can have disastrous consequences, e.g., in aero engine design.

Renewable energy forecasting is attaining greater importance due to its constant increase in contribution to the electrical power grids. Solar energy is one of the most significant contributors to renewable energy and is dependent on solar irradiation. For the effective management of electrical power grids, forecasting models that predict solar irradiation, with high accuracy, are needed. In the current study, Machine Learning techniques such as Linear Regression, Extreme Gradient Boosting and Genetic Algorithm Optimization are used to forecast solar irradiation. The data used for training and validation is recorded from across three different geographical stations in the United States that are part of the SURFRAD network. A Global Horizontal Index (GHI) is predicted for the models built and compared. Genetic Algorithm Optimization is applied to XGB to further improve the accuracy of solar irradiation prediction.

This paper introduces a methodology for task-specific design optimization of multirotor Micro Aerial Vehicles. By leveraging reinforcement learning, Bayesian optimization, and covariance matrix adaptation evolution strategy, we optimize aerial robot designs guided exclusively by their closed-loop performance in a considered task. Our approach systematically explores the design space of motor pose configurations while ensuring manufacturability constraints and minimal aerodynamic interference. Results demonstrate that optimized designs achieve superior performance compared to conventional multirotor configurations in agile waypoint navigation tasks, including against fully actuated designs from the literature. We build and test one of the optimized designs in the real world to validate the sim2real transferability of our approach.

Deploying capable and user-aligned LLM-based systems necessitates reliable evaluation. While LLMs excel in verifiable tasks like coding and mathematics, where gold-standard solutions are available, adoption remains challenging for subjective tasks that lack a single correct answer. E-commerce Query Rewriting (QR) is one such problem where determining whether a rewritten query properly captures the user intent is extremely difficult to figure out algorithmically. In this work, we introduce OptAgent, a novel framework that combines multi-agent simulations with genetic algorithms to verify and optimize queries for QR. Instead of relying on a static reward model or a single LLM judge, our approach uses multiple LLM-based agents, each acting as a simulated shopping customer, as a dynamic reward signal. The average of these agent-derived scores serves as an effective fitness function for an evolutionary algorithm that iteratively refines the user's initial query. We evaluate OptAgent on a dataset of 1000 real-world e-commerce queries in five different categories, and we observe an average improvement of 21.98% over the original user query and 3.36% over a Best-of-N LLM rewriting baseline.

Low-discrepancy point sets and digital sequences underpin quasi-Monte Carlo (QMC) methods for high-dimensional integration. We cast two long-standing QMC design problems as program synthesis and solve them with an LLM-guided evolutionary loop that mutates and selects code under task-specific fitness: (i) constructing finite 2D/3D point sets with low star discrepancy, and (ii) choosing Sobol' direction numbers that minimize randomized QMC error on downstream integrands. Our two-phase procedure combines constructive code proposals with iterative numerical refinement. On finite sets, we rediscover known optima in small 2D cases and set new best-known 2D benchmarks for N >= 40, while matching most known 3D optima up to the proven frontier (N <= 8) and reporting improved 3D benchmarks beyond. On digital sequences, evolving Sobol' parameters yields consistent reductions in randomized quasi-Monte Carlo (rQMC) mean-squared error for several 32-dimensional option-pricing tasks relative to widely used Joe--Kuo parameters, while preserving extensibility to any sample size and compatibility with standard randomizations. Taken together, the results demonstrate that LLM-driven evolutionary program synthesis can automate the discovery of high-quality QMC constructions, recovering classical designs where they are optimal and improving them where finite-N structure matters. Data and code are available at https://github.com/hockeyguy123/openevolve-star-discrepancy.git.

We study optimizing a destination-to-chutes task mapping to improve throughput in Robotic Sorting Systems (RSS), where a team of robots sort packages on a sortation floor by transporting them from induct workstations to eject chutes based on their shipping destinations (e.g. Los Angeles or Pittsburgh). The destination-to-chutes task mapping is used to determine which chutes a robot can drop its package. Finding a high-quality task mapping is challenging because of the complexity of a real-world RSS. First, optimizing task mapping is interdependent with robot target assignment and path planning. Second, chutes will be CLOSED for a period of time once they receive sufficient packages to allow for downstream processing. Third, task mapping quality directly impacts the downstream processing, as scattered chutes for the same destination increase package handling time. In this paper, we first formally define task mappings and the problem of Task Mapping Optimization (TMO). We then present a simulator of RSS to evaluate task mappings. We then present a simple TMO method based on the Evolutionary Algorithm and Mixed Integer Linear Programming, demonstrating the advantage of our optimized task mappings over the greedily generated ones in various RSS setups with different map sizes, numbers of chutes, and destinations. Finally, we use Quality Diversity algorithms to analyze the throughput of a diverse set of task mappings. Our code is available online at https://github.com/lunjohnzhang/tmo_public.

The scarcity of non-renewable energy sources, geopolitical problems in its supply, increasing prices, and the impact of climate change, force the global economy to develop more energy-efficient solutions for their operations. The Manufacturing sector is not excluded from this challenge as one of the largest consumers of energy. Energy-efficient scheduling is a method that attracts manufacturing companies to reduce their consumption as it can be quickly deployed and can show impact immediately. In this study, the hybrid flow shop scheduling problem with blocking constraint (BHFS) is investigated in which we seek to minimize the latest completion time (i.e. makespan) and overall energy consumption, a typical manufacturing setting across many industries from automotive to pharmaceutical. Energy consumption and the latest completion time of customer orders are usually conflicting objectives. Therefore, we first formulate the problem as a novel multi-objective mixed integer programming (MIP) model and propose an augmented epsilon-constraint method for finding the Pareto-optimal solutions. Also, an effective multi-objective metaheuristic algorithm. Refined Iterated Pareto Greedy (RIPG), is developed to solve large instances in reasonable time. Our proposed methods are benchmarked using small, medium, and large-size instances to evaluate their efficiency. Two well-known algorithms are adopted for comparing our novel approaches. The computational results show the effectiveness of our method.

Zero-Shot Learning is an important paradigm within General-Purpose Artificial Intelligence Systems, particularly in those that operate in open-world scenarios where systems must adapt to new tasks dynamically. Semantic spaces play a pivotal role as they bridge seen and unseen classes, but whether human-annotated or generated by a machine learning model, they often contain noisy, redundant, or irrelevant attributes that hinder performance. To address this, we introduce a partitioning scheme that simulates unseen conditions in an inductive setting (which is the most challenging), allowing attribute relevance to be assessed without access to semantic information from unseen classes. Within this framework, we study two complementary feature-selection strategies and assess their generalisation. The first adapts embedded feature selection to the particular demands of ZSL, turning model-driven rankings into meaningful semantic pruning; the second leverages evolutionary computation to directly explore the space of attribute subsets more broadly. Experiments on five benchmark datasets (A WA2, CUB, SUN, aPY, FLO) show that both methods consistently improve accuracy on unseen classes by reducing redundancy, but in complementary ways: RFS is efficient and competitive though dependent on critical hyperparameters, whereas GA is more costly yet explores the search space more broadly and avoids such dependence. These results confirm that semantic spaces are inherently redundant and highlight the proposed partitioning scheme as an effective tool to refine them under inductive conditions.

Designing sequences that satisfy multiple, often conflicting, objectives is a central challenge in therapeutic and biomolecular engineering. Existing generative frameworks largely operate in continuous spaces with single-objective guidance, while discrete approaches lack guarantees for multi-objective Pareto optimality. We introduce AReUReDi (Annealed Rectified Updates for Refining Discrete Flows), a discrete optimization algorithm with theoretical guarantees of convergence to the Pareto front. Building on Rectified Discrete Flows (ReDi), AReUReDi combines Tchebycheff scalarization, locally balanced proposals, and annealed Metropolis-Hastings updates to bias sampling toward Pareto-optimal states while preserving distributional invariance. Applied to peptide and SMILES sequence design, AReUReDi simultaneously optimizes up to five therapeutic properties (including affinity, solubility, hemolysis, half-life, and non-fouling) and outperforms both evolutionary and diffusion-based baselines. These results establish AReUReDi as a powerful, sequence-based framework for multi-property biomolecule generation.

Global optimization of expensive, derivative-free black-box functions requires extreme sample efficiency. While Bayesian optimization (BO) is the current state-of-the-art, its performance hinges on surrogate and acquisition function hyper-parameters that are often hand-tuned and fail to generalize across problem landscapes. We present ZeroShotOpt, a general-purpose, pretrained model for continuous black-box optimization tasks ranging from 2D to 20D. Our approach leverages offline reinforcement learning on large-scale optimization trajectories collected from 12 BO variants. To scale pretraining, we generate millions of synthetic Gaussian process-based functions with diverse landscapes, enabling the model to learn transferable optimization policies. As a result, ZeroShotOpt achieves robust zero-shot generalization on a wide array of unseen benchmarks, matching or surpassing the sample efficiency of leading global optimizers, including BO, while also offering a reusable foundation for future extensions and improvements. Our open-source code, dataset, and model are available at: https://github.com/jamisonmeindl/zeroshotopt