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'Milestone': Scientists claim to build synthetic cell, raising concerns in step toward artificial life

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DesignX: Human-Competitive Algorithm Designer for Black-Box Optimization

Neural Information Processing Systems

Designing effective black-box optimizers is hampered by limited problem-specific knowledge and manual control that spans months for almost every detail. In this paper, we present DesignX, the first automated algorithm design framework that generates an effective optimizer specific to a given black-box optimization problem within seconds. Rooted in the first principles, we identify two key sub-tasks: 1) algorithm structure generation and 2) hyperparameter control. To enable systematic construction, a comprehensive modular algorithmic space is first built, embracing hundreds of algorithm components collected from decades of research. We then introduce a dual-agent reinforcement learning system that collaborates on structural and parametric design through a novel cooperative training objective, enabling large-scale meta-training across 10k diverse instances. Remarkably, through days of autonomous learning, the DesignX-generated optimizers continuously surpass human-crafted optimizers by orders of magnitude, either on synthetic testbed or on realistic optimization scenarios such as Protein-docking, AutoML and UAV path planning. Further in-depth analysis reveals DesignX's capability to discover non-trivial algorithm patterns beyond expert intuition, which, conversely, provides valuable design insights for the optimization community.


Neural Evolution Strategy for Black-box Pareto Set Learning

Neural Information Processing Systems

Multi-objective optimization problems (MOPs) are prevalent in numerous realworld applications. Recently, Pareto Set Learning (PSL) has emerged as a powerful paradigm for solving MOPs. PSL can produce a neural network for modeling the set of all Pareto optimal solutions. However, applying PSL to black-box objectives, particularly those exhibiting non-separability, high dimensionality, and/or other complex properties, remains very challenging. To address this issue, we propose leveraging evolution strategies (ESs), a class of specialized blackbox optimization algorithms, within the PSL paradigm. Traditional ESs capture the complex dimensional dependencies less efficiently, which can significantly hinder their performance in PSL. To tackle this issue, we suggest encapsulating the dependencies within a neural network, which is then trained using a novel gradient estimation method. The proposed method, termed Neural-ES, is evaluated using a bespoke benchmark suite for black-box PSL. Experimental comparisons with other methods demonstrate the efficiency of Neural-ES, underscoring its ability to learn the Pareto sets of challenging black-box MOPs.


Partition to Evolve: Niching-enhanced Evolution with LLMs for Automated Algorithm Discovery

Neural Information Processing Systems

Large language model-assisted Evolutionary Search (LES) has emerged as a promising approach for Automated Algorithm Discovery (AAD). While many evolutionary search strategies have been developed for classic optimization problems, LES operates in abstract language spaces, presenting unique challenges for applying these strategies effectively. To address this, we propose a general LES framework that incorporates feature-assisted niche construction within abstract search spaces, enabling the seamless integration of niche-based search strategies from evolutionary computation. Building on this framework, we introduce PartEvo (Partition to Evolve), an LES method that combines niche collaborative search and advanced prompting strategies to improve algorithm discovery efficiency. Experiments on both synthetic and real-world optimization problems show that PartEvo outperforms human-designed baselines and surpasses prior LES methods. In particular, on resource scheduling tasks, PartEvo generates meta-heuristics with low design costs, achieving up to 90.1% performance improvement over widely-used baseline algorithms, highlighting its potential for real-world applications.


Two-Steps Diffusion Policy for Robotic Manipulation via Genetic Denoising

Neural Information Processing Systems

Diffusion models, such as diffusion policy, have achieved state-of-the-art results in robotic manipulation by imitating expert demonstrations. While diffusion models were originally developed for vision tasks like image and video generation, many of their inference strategies have been directly transferred to control domains without adaptation. In this work, we show that by tailoring the denoising process to the specific characteristics of embodied AI tasks--particularly the structured, low-dimensional nature of action distributions--diffusion policies can operate effectively with as few as 5 neural function evaluations (NFE). Building on this insight, we propose a population-based sampling strategy, genetic denoising, which enhances both performance and stability by selecting denoising trajectories with low out-of-distribution risk. Our method solves challenging tasks with only 2 NFE while improving or matching performance. We evaluate our approach across 14 robotic manipulation tasks from D4RL and Robomimic, spanning multiple action horizons and inference budgets. In over 2 million evaluations, our method consistently outperforms standard diffusion-based policies, achieving up to 20% performance gains with significantly fewer inference steps.


CORE: Collaborative Optimization with Reinforcement Learning and Evolutionary Algorithm for Floorplanning

Neural Information Processing Systems

Floorplanning is the initial step in the physical design process of Electronic Design Automation (EDA), directly influencing subsequent placement, routing, and final power of the chip. However, the solution space in floorplanning is vast, and current algorithms often struggle to explore it sufficiently, making them prone to getting trapped in local optima. To achieve efficient floorplanning, we propose CORE, a general and effective solution optimization framework that synergizes Evolutionary Algorithms (EAs) and Reinforcement Learning (RL) for high-quality layout search and optimization. Specifically, we propose the Clustering-based Diversified Evolutionary Search that directly perturbs layouts and evolves them based on novelty and performance. Additionally, we model the floorplanning problem as a sequential decision problem with B*-Tree representation and employ RL for efficient learning.


PROSPERO: Active Learning for Robust Protein Design Beyond Wild-Type Neighborhoods

Neural Information Processing Systems

Designing protein sequences of both high fitness and novelty is a challenging task in data-efficient protein engineering. Exploration beyond wild-type neighborhoods often leads to biologically implausible sequences or relies on surrogate models that lose fidelity in novel regions. Here, we propose PROSPERO, an active learning framework in which a frozen pre-trained generative model is guided by a surrogate updated from oracle feedback. By integrating fitness-relevant residue selection with biologically-constrained Sequential Monte Carlo sampling, our approach enables exploration beyond wild-type neighborhoods while preserving biological plausibility. We show that our framework remains effective even when the surrogate is misspecified. PROSPERO consistently outperforms or matches existing methods across diverse protein engineering tasks, retrieving sequences of both high fitness and novelty.


Theoretical Guarantees for the Retention of Strict Nash Equilibria by Coevolutionary Algorithms

Neural Information Processing Systems

Most methods for finding a Nash equilibrium rely on procedures that operate over the entire action space, making them infeasible for settings with too many actions to be searched exhaustively. Randomised search heuristics such as coevolutionary algorithms offer benefits in such settings, however they lack many of the theoretical guarantees established for exhaustive methods such as zero-regret learning. We address this by developing a method for proving necessary and sufficient conditions for a coevolutionary algorithm to be stable, in the sense that it reliably retains a Nash equilibrium following discovery. As the method provides bounds that are adapted to both application and algorithm instance, it can be used as a practical tool for parameter configuration. We additionally show how bounds on regret may be deduced from our results and undertake corresponding empirical analysis.


Bayesian Optimization with Preference Exploration using a Monotonic Neural Network Ensemble

Neural Information Processing Systems

Many real-world black-box optimization problems have multiple conflicting objectives. Rather than attempting to approximate the entire set of Pareto-optimal solutions, interactive preference learning, i.e., optimization with a decision maker in the loop, allows us to focus the search on the most relevant subset. However, few previous studies have exploited the fact that utility functions are typically monotonic. In this paper, we address the Bayesian Optimization with Preference Exploration (BOPE) problem and propose using a neural network ensemble as a utility surrogate model. This approach naturally integrates monotonicity and allows learning the decision maker's preferences from pairwise comparisons. Our experiments demonstrate that the proposed method outperforms state-of-the-art approaches and is robust to noise in utility evaluations. An ablation study highlights the critical role of monotonicity in enhancing performance.


Why Popular MOEAs Are Popular: Proven Advantages in Approximating the Pareto Front

Neural Information Processing Systems

Recent breakthroughs in the analysis of multi-objective evolutionary algorithms (MOEAs) are mathematical runtime analyses of those algorithms which are intensively used in practice. So far, most of these results show the same performance as previously known for simpler algorithms like the GSEMO. The few results indicating advantages of the popular MOEAs share the same shortages: They only consider the problem of computing the full Pareto front, sometimes of algorithms enriched with newly invented mechanisms, and this on newly designed benchmarks. In this work, we overcome these shortcomings by analyzing how existing popular MOEAs approximate the Pareto front of the established LARGEFRONT benchmark. We prove that several popular MOEAs, including NSGA-II (with current crowding distance), NSGA-III, SMS-EMOA, and SPEA2, only need an expected time of O(n2 logn) fitness evaluations to compute an additive ω-approximation of the Pareto front of the LARGEFRONT benchmark. This contrasts with the already proven exponential runtime (with high probability) of the GSEMO on the same task. Our result is the first mathematical runtime analysis showing and explaining the superiority of popular MOEAs over simple ones like the GSEMO for the central task of computing good approximations to the Pareto front.