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.

Effective search methods are crucial for improving the performance of deep generative models at test time. In this paper, we introduce a novel test-time search method, Neural Genetic Search (NGS), which incorporates the evolutionary mechanism of genetic algorithms into the generation procedure of deep models. The core idea behind NGS is its crossover, which is defined as parent-conditioned generation using trained generative models. This approach offers a versatile and easy-to-implement search algorithm for deep generative models. We demonstrate the effectiveness and flexibility of NGS through experiments across three distinct domains: routing problems, adversarial prompt generation for language models, and molecular design.

Additional Feedback: The paper can be imporved by including experiments and comparison with baseline on more practical dataset. My main concerns on the dataset and results in many classes have been addressed. Black-box model stealing is also discussed in [1]. Considering previous work[1] in the context, using EA on a pre-trained GAN for model stealing is not so novel. The novelty is limited in using EA in this task.

The basic idea of evolving a data set that mimics a black box model of a teacher is intuitive and interesting, although not entirely novel. But the combination of EA and GAN algorithms for realizing a solution to this problem is. The experimental results presented show superiority over the tested baselines, and the paper is well written and easy to understand. One limitation is that the method only evaluated on small data sets and the description of the EA that is used needs to be better explained. The options of several reviewers were raised as a result of clarifications provided in the user response, and the consensus recommendation on this paper is to accept. Please be sure to attend to the reviewer comments as you prepare your final version.

Drift vehicle control offers valuable insights to support safe autonomous driving in extreme conditions, which hinges on tracking a particular path while maintaining the vehicle states near the drift equilibrium points (DEP). However, conventional tracking methods are not adaptable for drift vehicles due to their opposite steering angle and yaw rate. In this paper, we propose an adaptive path tracking (APT) control method to dynamically adjust drift states to follow the reference path, improving the commonly utilized predictive path tracking methods with released computation burden. Furthermore, existing control strategies necessitate a precise system model to calculate the DEP, which can be more intractable due to the highly nonlinear drift dynamics and sensitive vehicle parameters. To tackle this problem, an adaptive learning-based model predictive control (ALMPC) strategy is proposed based on the APT method, where an upper-level Bayesian optimization is employed to learn the DEP and APT control law to instruct a lower-level MPC drift controller. This hierarchical system architecture can also resolve the inherent control conflict between path tracking and drifting by separating these objectives into different layers. The ALMPC strategy is verified on the Matlab-Carsim platform, and simulation results demonstrate its effectiveness in controlling the drift vehicle to follow a clothoid-based reference path even with the misidentified road friction parameter.

Perturbative Quantum Field Theory has proven to be a vastly successful theoretical framework for calculating precision predictions, with applications ranging from collider physics to gravitational-wave physics. A crucial step in the calculation of precision predictions is the reduction of the occurring Feynman integrals to a much smaller set of so-called master integrals, using integration-by-parts (IBP) identities [1-3]. This IBP reduction is a major bottleneck in precision calculations, requiring hundred thousands of CPU hours in current applications [4] and obstructing other applications altogether. IBP identities relate Feynman integrals with different integer exponents of the propagators as well as irreducible scalar products (ISP) in the numerator. They can easily be derived for general values of the exponents, see e.g.

The objective is to find a Cellular Automata (CA) rule that can evolve 2D patterns that are optimal with respect to a global fitness function. The global fitness is defined as the sum of local computed utilities. A utility or value function computes a score depending on the states in the local neighborhood. First the method is explained that was followed to find such a CA rule. Then this method is applied to find a rule that maximizes social wealth. Here wealth is defined as the sum of the payoffs that all players (agents, cells) receive in a prisoner's dilemma game, and then shared equally among them. The problem is solved in four steps: (0) Defining the utility function, (1) Finding optimal master patterns with a Genetic Algorithm, (2) Extracting templates (local neighborhood configurations), (3) Inserting the templates in a general CA rule. The constructed CA rule finds optimal and near-optimal patterns for even and odd grid sizes. Optimal patterns of odd size contain exactly one singularity, a 2 x 2 block of cooperators.

We propose Heterogeneous Swarms, an algorithm to design multi-LLM systems by jointly optimizing model roles and weights. We represent multi-LLM systems as directed acyclic graphs (DAGs) of LLMs with topological message passing for collaborative generation. Given a pool of LLM experts and a utility function, Heterogeneous Swarms employs two iterative steps: role-step and weight-step. For role-step, we interpret model roles as learning a DAG that specifies the flow of inputs and outputs between LLMs. Starting from a swarm of random continuous adjacency matrices, we decode them into discrete DAGs, call the LLMs in topological order, evaluate on the utility function (e.g. accuracy on a task), and optimize the adjacency matrices with particle swarm optimization based on the utility score. For weight-step, we assess the contribution of individual LLMs in the multi-LLM systems and optimize model weights with swarm intelligence. We propose JFK-score to quantify the individual contribution of each LLM in the best-found DAG of the role-step, then optimize model weights with particle swarm optimization based on the JFK-score. Experiments demonstrate that Heterogeneous Swarms outperforms 15 role- and/or weight-based baselines by 18.5% on average across 12 tasks. Further analysis reveals that Heterogeneous Swarms discovers multi-LLM systems with heterogeneous model roles and substantial collaborative gains, and benefits from the diversity of language models.

Fitness landscapes in test-based program synthesis are known to be extremely rugged, with even minimal modifications of programs often leading to fundamental changes in their behavior and, consequently, fitness values. Relying on fitness as the only guidance in iterative search algorithms like genetic programming is thus unnecessarily limiting, especially when combined with purely syntactic search operators that are agnostic about their impact on program behavior. In this study, we propose a semantics-aware search operator that steers the search towards candidate programs that are valuable not only actually (high fitness) but also only potentially, i.e. are likely to be turned into high-quality solutions even if their current fitness is low. The key component of the method is a graph neural network that learns to model the interactions between program instructions and processed data, and produces a saliency map over graph nodes that represents possible search decisions. When applied to a suite of symbolic regression benchmarks, the proposed method outperforms conventional tree-based genetic programming and the ablated variant of the method.

In this paper, we introduce a novel multi-objective optimization algorithm, the Multi-Objective Mobile Damped Wave Algorithm (MOMDWA), specifically designed to address complex quantum control problems. Our approach extends the capabilities of the original Mobile Damped Wave Algorithm (MDWA) by incorporating multiple objectives, enabling a more comprehensive optimization process. We applied MOMDWA to three quantum control scenarios, focusing on optimizing the balance between control fidelity, energy consumption, and control smoothness. The results demonstrate that MOMDWA significantly enhances quantum control efficiency and robustness, achieving high fidelity while minimizing energy use and ensuring smooth control pulses. This advancement offers a valuable tool for quantum computing and other domains requiring precise, multi-objective control.