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Aug 12

Curiosity-Driven Testing for Sequential Decision-Making Process

Sequential decision-making processes (SDPs) are fundamental for complex real-world challenges, such as autonomous driving, robotic control, and traffic management. While recent advances in Deep Learning (DL) have led to mature solutions for solving these complex problems, SDMs remain vulnerable to learning unsafe behaviors, posing significant risks in safety-critical applications. However, developing a testing framework for SDMs that can identify a diverse set of crash-triggering scenarios remains an open challenge. To address this, we propose CureFuzz, a novel curiosity-driven black-box fuzz testing approach for SDMs. CureFuzz proposes a curiosity mechanism that allows a fuzzer to effectively explore novel and diverse scenarios, leading to improved detection of crashtriggering scenarios. Additionally, we introduce a multi-objective seed selection technique to balance the exploration of novel scenarios and the generation of crash-triggering scenarios, thereby optimizing the fuzzing process. We evaluate CureFuzz on various SDMs and experimental results demonstrate that CureFuzz outperforms the state-of-the-art method by a substantial margin in the total number of faults and distinct types of crash-triggering scenarios. We also demonstrate that the crash-triggering scenarios found by CureFuzz can repair SDMs, highlighting CureFuzz as a valuable tool for testing SDMs and optimizing their performance.

  • 8 authors
·
Sep 1, 2025

Multi-Objective GFlowNets

In many applications of machine learning, like drug discovery and material design, the goal is to generate candidates that simultaneously maximize a set of objectives. As these objectives are often conflicting, there is no single candidate that simultaneously maximizes all objectives, but rather a set of Pareto-optimal candidates where one objective cannot be improved without worsening another. Moreover, in practice, these objectives are often under-specified, making the diversity of candidates a key consideration. The existing multi-objective optimization methods focus predominantly on covering the Pareto front, failing to capture diversity in the space of candidates. Motivated by the success of GFlowNets for generation of diverse candidates in a single objective setting, in this paper we consider Multi-Objective GFlowNets (MOGFNs). MOGFNs consist of a novel Conditional GFlowNet which models a family of single-objective sub-problems derived by decomposing the multi-objective optimization problem. Our work is the first to empirically demonstrate conditional GFlowNets. Through a series of experiments on synthetic and benchmark tasks, we empirically demonstrate that MOGFNs outperform existing methods in terms of Hypervolume, R2-distance and candidate diversity. We also demonstrate the effectiveness of MOGFNs over existing methods in active learning settings. Finally, we supplement our empirical results with a careful analysis of each component of MOGFNs.

  • 7 authors
·
Oct 23, 2022

ParetoFlow: Guided Flows in Multi-Objective Optimization

In offline multi-objective optimization (MOO), we leverage an offline dataset of designs and their associated labels to simultaneously minimize multiple objectives. This setting more closely mirrors complex real-world problems compared to single-objective optimization. Recent works mainly employ evolutionary algorithms and Bayesian optimization, with limited attention given to the generative modeling capabilities inherent in such data. In this study, we explore generative modeling in offline MOO through flow matching, noted for its effectiveness and efficiency. We introduce ParetoFlow, specifically designed to guide flow sampling to approximate the Pareto front. Traditional predictor (classifier) guidance is inadequate for this purpose because it models only a single objective. In response, we propose a multi-objective predictor guidance module that assigns each sample a weight vector, representing a weighted distribution across multiple objective predictions. A local filtering scheme is introduced to address non-convex Pareto fronts. These weights uniformly cover the entire objective space, effectively directing sample generation towards the Pareto front. Since distributions with similar weights tend to generate similar samples, we introduce a neighboring evolution module to foster knowledge sharing among neighboring distributions. This module generates offspring from these distributions, and selects the most promising one for the next iteration. Our method achieves state-of-the-art performance across various tasks.

  • 4 authors
·
Feb 19, 2025

Multiobjective Optimization of Non-Smooth PDE-Constrained Problems

Multiobjective optimization plays an increasingly important role in modern applications, where several criteria are often of equal importance. The task in multiobjective optimization and multiobjective optimal control is therefore to compute the set of optimal compromises (the Pareto set) between the conflicting objectives. The advances in algorithms and the increasing interest in Pareto-optimal solutions have led to a wide range of new applications related to optimal and feedback control - potentially with non-smoothness both on the level of the objectives or in the system dynamics. This results in new challenges such as dealing with expensive models (e.g., governed by partial differential equations (PDEs)) and developing dedicated algorithms handling the non-smoothness. Since in contrast to single-objective optimization, the Pareto set generally consists of an infinite number of solutions, the computational effort can quickly become challenging, which is particularly problematic when the objectives are costly to evaluate or when a solution has to be presented very quickly. This article gives an overview of recent developments in the field of multiobjective optimization of non-smooth PDE-constrained problems. In particular we report on the advances achieved within Project 2 "Multiobjective Optimization of Non-Smooth PDE-Constrained Problems - Switches, State Constraints and Model Order Reduction" of the DFG Priority Programm 1962 "Non-smooth and Complementarity-based Distributed Parameter Systems: Simulation and Hierarchical Optimization".

  • 7 authors
·
Aug 2, 2023

Rich Feature Construction for the Optimization-Generalization Dilemma

There often is a dilemma between ease of optimization and robust out-of-distribution (OoD) generalization. For instance, many OoD methods rely on penalty terms whose optimization is challenging. They are either too strong to optimize reliably or too weak to achieve their goals. We propose to initialize the networks with a rich representation containing a palette of potentially useful features, ready to be used by even simple models. On the one hand, a rich representation provides a good initialization for the optimizer. On the other hand, it also provides an inductive bias that helps OoD generalization. Such a representation is constructed with the Rich Feature Construction (RFC) algorithm, also called the Bonsai algorithm, which consists of a succession of training episodes. During discovery episodes, we craft a multi-objective optimization criterion and its associated datasets in a manner that prevents the network from using the features constructed in the previous iterations. During synthesis episodes, we use knowledge distillation to force the network to simultaneously represent all the previously discovered features. Initializing the networks with Bonsai representations consistently helps six OoD methods achieve top performance on ColoredMNIST benchmark. The same technique substantially outperforms comparable results on the Wilds Camelyon17 task, eliminates the high result variance that plagues other methods, and makes hyperparameter tuning and model selection more reliable.

  • 3 authors
·
Mar 24, 2022

Subset Selection Based On Multiple Rankings in the Presence of Bias: Effectiveness of Fairness Constraints for Multiwinner Voting Score Functions

We consider the problem of subset selection where one is given multiple rankings of items and the goal is to select the highest ``quality'' subset. Score functions from the multiwinner voting literature have been used to aggregate rankings into quality scores for subsets. We study this setting of subset selection problems when, in addition, rankings may contain systemic or unconscious biases toward a group of items. For a general model of input rankings and biases, we show that requiring the selected subset to satisfy group fairness constraints can improve the quality of the selection with respect to unbiased rankings. Importantly, we show that for fairness constraints to be effective, different multiwinner score functions may require a drastically different number of rankings: While for some functions, fairness constraints need an exponential number of rankings to recover a close-to-optimal solution, for others, this dependency is only polynomial. This result relies on a novel notion of ``smoothness'' of submodular functions in this setting that quantifies how well a function can ``correctly'' assess the quality of items in the presence of bias. The results in this paper can be used to guide the choice of multiwinner score functions for the subset selection setting considered here; we additionally provide a tool to empirically enable this.

  • 5 authors
·
Jun 16, 2023

A Multi-objective Evolutionary Algorithm Based on Bi-population with Uniform Sampling for Neural Architecture Search

Neural architecture search (NAS) automates neural network design, improving efficiency over manual approaches. However, efficiently discovering high-performance neural network architectures that simultaneously optimize multiple objectives remains a significant challenge in NAS. Existing methods often suffer from limited population diversity and inadequate exploration of the search space, particularly in regions with extreme complexity values. To address these challenges, we propose MOEA-BUS, an innovative multi-objective evolutionary algorithm based on bi-population with uniform sampling for neural architecture search, aimed at simultaneously optimizing both accuracy and network complexity. In MOEA-BUS, a novel uniform sampling method is proposed to initialize the population, ensuring that architectures are distributed uniformly across the objective space. Furthermore, to enhance exploration, we deploy a bi-population framework where two populations evolve synergistically, facilitating comprehensive search space coverage. Experiments on CIFAR-10 and ImageNet demonstrate MOEA-BUS's superiority, achieving top-1 accuracies of 98.39% on CIFAR-10, and 80.03% on ImageNet. Notably, it achieves 78.28% accuracy on ImageNet with only 446M MAdds. Ablation studies confirm that both uniform sampling and bi-population mechanisms enhance population diversity and performance. Additionally, in terms of the Kendall's tau coefficient, the SVM achieves an improvement of at least 0.035 compared to the other three commonly used machine learning models, and uniform sampling provided an enhancement of approximately 0.07.

  • 7 authors
·
Feb 9

EvoPref: Multi-Objective Evolutionary Optimization Discovers Diverse LLM Alignments Beyond Gradient Descent

Gradient-based preference optimization methods for large language model (LLM) alignment suffer from preference collapse, converging to narrow behavioral modes while neglecting preference diversity. We introduce EvoPref, a multi-objective evolutionary algorithm that maintains populations of Low-Rank Adaptation (LoRA) adapters optimized across helpfulness, harmlessness, and honesty objectives using Non-dominated Sorting Genetic Algorithm II (NSGA-II) selection with archive-based diversity preservation. Our primary contribution is demonstrating that population-based methods discover substantially more diverse alignments than gradient descent. On standard benchmarks, EvoPref improves preference coverage by 18% (median 82.5% vs. 70.0% for ORPO, p<0.001, Wilcoxon, n=30) and reduces collapse rates by 47% (11.0% vs. 20.6%, p<0.001), while achieving competitive alignment quality (median 75.5% RewardBench vs. 75.0% for ORPO, p<0.05). We provide theoretical motivation extending recent multi-objective evolutionary algorithm (MOEA) runtime analysis (Dang et al., 2025) suggesting why archive-based methods escape collapse more effectively than single-trajectory optimization. Comprehensive comparisons against MOEA/D, SMS-EMOA, CMA-ES, and gradient baselines (DPO, IPO, KTO, ORPO) with rigorous statistical testing (Friedman with Holm correction, Vargha-Delaney effect sizes, median with IQR) confirm that multi-objective selection with diversity preservation is essential. This work establishes evolutionary optimization as a principled paradigm for diverse LLM alignment.

  • 3 authors
·
May 9

RoboPhD: Evolving Diverse Complex Agents Under Tight Evaluation Budgets

2026 has brought an explosion of interest in LLM-guided evolution of agentic artifacts, with systems like GEPA and Autoresearch demonstrating that LLMs can iteratively improve prompts, code, and agent architectures across diverse domains. As adoption accelerates, a central question emerges: given the same information, the same seed agent, and the same objective, which optimization algorithm yields the best results under the same evaluation budget? This question becomes critical when evaluations are expensive, such as when they require human judgment or multiple LLM calls. We present the first systematic comparison of three optimization paradigms -- Elo tournament selection (RoboPhD), Pareto-based selection (GEPA), and greedy hill-climbing (Autoresearch) -- across four benchmarks spanning abstract reasoning, cloud scheduling, SQL generation, and financial QA, all under a fixed budget of 1,500 evaluations. RoboPhD introduces validation-free evolution: instead of splitting the budget between training and validation, it uses Elo competition on training data to simultaneously evaluate agents and drive evolution. All three systems receive seed agents with diagnostic print() statements that evolution can grow, enabling self-instrumenting agents that develop increasingly informative diagnostics for the benefit of their evolutionary successors. Using a single default configuration, RoboPhD outperforms both GEPA and Autoresearch on three of four benchmarks, losing only on the simplest task, where the winning solution (from our Autoresearch adaptation) required under 90 lines of code. On ARC-AGI, RoboPhD evolves a 22-line seed agent into a 1,013-line multi-strategy system, improving accuracy from 27.8% to 65.8% using Gemini 3.1 Flash Lite as the solver. We release RoboPhD as a versatile toolkit under the MIT license with a simple optimize_anything() API for evolving diverse complex agents.

  • 3 authors
·
Apr 5

MOCHA: Multi-Objective Chebyshev Annealing for Agent Skill Optimization

LLM agents organize behavior through skills - structured natural-language specifications governing how an agent reasons, retrieves, and responds. Unlike monolithic prompts, skills are multi-field artifacts subject to hard platform constraints: description fields are truncated for routing, instruction bodies are compacted via progressive disclosure, and co-resident skills compete for limited context windows. These constraints make skill optimization inherently multi-objective: a skill must simultaneously maximize task performance and satisfy platform limits. Yet existing prompt optimizers either ignore these trade-offs or collapse them into a weighted sum, missing Pareto-optimal variants in non-convex objective regions. We introduce MOCHA (Multi-Objective Chebyshev Annealing), which replaces single-objective selection with Chebyshev scalarization - covering the full Pareto front, including non-convex regions - combined with exponential annealing that transitions from exploration to exploitation. In our experiments across six diverse agent skills - where all methods share the same multi-objective mutation operator and baselines receive identical per-objective textual feedback - existing optimizers fail to improve the seed skill on 4 of 6 tasks: 1000 rollouts yield zero progress. MOCHA breaks through on every task, achieving 7.5% relative improvement in mean correctness over the strongest baseline (up to 14.9% on FEVER and 10.4% on TheoremQA) while discovering twice as many more Pareto-optimal skill variants.

Early Timestep Zero-Shot Candidate Selection for Instruction-Guided Image Editing

Despite recent advances in diffusion models, achieving reliable image generation and editing remains challenging due to the inherent diversity induced by stochastic noise in the sampling process. Instruction-guided image editing with diffusion models offers user-friendly capabilities, yet editing failures, such as background distortion, frequently occur. Users often resort to trial and error, adjusting seeds or prompts to achieve satisfactory results, which is inefficient. While seed selection methods exist for Text-to-Image (T2I) generation, they depend on external verifiers, limiting applicability, and evaluating multiple seeds increases computational complexity. To address this, we first establish a multiple-seed-based image editing baseline using background consistency scores, achieving Best-of-N performance without supervision. Building on this, we introduce ELECT (Early-timestep Latent Evaluation for Candidate Selection), a zero-shot framework that selects reliable seeds by estimating background mismatches at early diffusion timesteps, identifying the seed that retains the background while modifying only the foreground. ELECT ranks seed candidates by a background inconsistency score, filtering unsuitable samples early based on background consistency while preserving editability. Beyond standalone seed selection, ELECT integrates into instruction-guided editing pipelines and extends to Multimodal Large-Language Models (MLLMs) for joint seed and prompt selection, further improving results when seed selection alone is insufficient. Experiments show that ELECT reduces computational costs (by 41 percent on average and up to 61 percent) while improving background consistency and instruction adherence, achieving around 40 percent success rates in previously failed cases - without any external supervision or training.

kaist-ai KAIST AI
·
Apr 18, 2025

InstaTune: Instantaneous Neural Architecture Search During Fine-Tuning

One-Shot Neural Architecture Search (NAS) algorithms often rely on training a hardware agnostic super-network for a domain specific task. Optimal sub-networks are then extracted from the trained super-network for different hardware platforms. However, training super-networks from scratch can be extremely time consuming and compute intensive especially for large models that rely on a two-stage training process of pre-training and fine-tuning. State of the art pre-trained models are available for a wide range of tasks, but their large sizes significantly limits their applicability on various hardware platforms. We propose InstaTune, a method that leverages off-the-shelf pre-trained weights for large models and generates a super-network during the fine-tuning stage. InstaTune has multiple benefits. Firstly, since the process happens during fine-tuning, it minimizes the overall time and compute resources required for NAS. Secondly, the sub-networks extracted are optimized for the target task, unlike prior work that optimizes on the pre-training objective. Finally, InstaTune is easy to "plug and play" in existing frameworks. By using multi-objective evolutionary search algorithms along with lightly trained predictors, we find Pareto-optimal sub-networks that outperform their respective baselines across different performance objectives such as accuracy and MACs. Specifically, we demonstrate that our approach performs well across both unimodal (ViT and BERT) and multi-modal (BEiT-3) transformer based architectures.

  • 5 authors
·
Aug 29, 2023

Parallel Bayesian Optimization of Multiple Noisy Objectives with Expected Hypervolume Improvement

Optimizing multiple competing black-box objectives is a challenging problem in many fields, including science, engineering, and machine learning. Multi-objective Bayesian optimization (MOBO) is a sample-efficient approach for identifying the optimal trade-offs between the objectives. However, many existing methods perform poorly when the observations are corrupted by noise. We propose a novel acquisition function, NEHVI, that overcomes this important practical limitation by applying a Bayesian treatment to the popular expected hypervolume improvement (EHVI) criterion and integrating over this uncertainty in the Pareto frontier. We argue that, even in the noiseless setting, generating multiple candidates in parallel is an incarnation of EHVI with uncertainty in the Pareto frontier and therefore can be addressed using the same underlying technique. Through this lens, we derive a natural parallel variant, qNEHVI, that reduces computational complexity of parallel EHVI from exponential to polynomial with respect to the batch size. qNEHVI is one-step Bayes-optimal for hypervolume maximization in both noisy and noiseless environments, and we show that it can be optimized effectively with gradient-based methods via sample average approximation. Empirically, we demonstrate not only that qNEHVI is substantially more robust to observation noise than existing MOBO approaches, but also that it achieves state-of-the-art optimization performance and competitive wall-times in large-batch environments.

  • 3 authors
·
Oct 25, 2021

Order-Preserving GFlowNets

Generative Flow Networks (GFlowNets) have been introduced as a method to sample a diverse set of candidates with probabilities proportional to a given reward. However, GFlowNets can only be used with a predefined scalar reward, which can be either computationally expensive or not directly accessible, in the case of multi-objective optimization (MOO) tasks for example. Moreover, to prioritize identifying high-reward candidates, the conventional practice is to raise the reward to a higher exponent, the optimal choice of which may vary across different environments. To address these issues, we propose Order-Preserving GFlowNets (OP-GFNs), which sample with probabilities in proportion to a learned reward function that is consistent with a provided (partial) order on the candidates, thus eliminating the need for an explicit formulation of the reward function. We theoretically prove that the training process of OP-GFNs gradually sparsifies the learned reward landscape in single-objective maximization tasks. The sparsification concentrates on candidates of a higher hierarchy in the ordering, ensuring exploration at the beginning and exploitation towards the end of the training. We demonstrate OP-GFN's state-of-the-art performance in single-objective maximization (totally ordered) and multi-objective Pareto front approximation (partially ordered) tasks, including synthetic datasets, molecule generation, and neural architecture search.

  • 2 authors
·
Sep 30, 2023

Mycorrhiza: Genotype Assignment usingPhylogenetic Networks

Motivation The genotype assignment problem consists of predicting, from the genotype of an individual, which of a known set of populations it originated from. The problem arises in a variety of contexts, including wildlife forensics, invasive species detection and biodiversity monitoring. Existing approaches perform well under ideal conditions but are sensitive to a variety of common violations of the assumptions they rely on. Results In this article, we introduce Mycorrhiza, a machine learning approach for the genotype assignment problem. Our algorithm makes use of phylogenetic networks to engineer features that encode the evolutionary relationships among samples. Those features are then used as input to a Random Forests classifier. The classification accuracy was assessed on multiple published empirical SNP, microsatellite or consensus sequence datasets with wide ranges of size, geographical distribution and population structure and on simulated datasets. It compared favorably against widely used assessment tests or mixture analysis methods such as STRUCTURE and Admixture, and against another machine-learning based approach using principal component analysis for dimensionality reduction. Mycorrhiza yields particularly significant gains on datasets with a large average fixation index (FST) or deviation from the Hardy-Weinberg equilibrium. Moreover, the phylogenetic network approach estimates mixture proportions with good accuracy.

  • 3 authors
·
Oct 13, 2020

Good Seed Makes a Good Crop: Discovering Secret Seeds in Text-to-Image Diffusion Models

Recent advances in text-to-image (T2I) diffusion models have facilitated creative and photorealistic image synthesis. By varying the random seeds, we can generate various images for a fixed text prompt. Technically, the seed controls the initial noise and, in multi-step diffusion inference, the noise used for reparameterization at intermediate timesteps in the reverse diffusion process. However, the specific impact of the random seed on the generated images remains relatively unexplored. In this work, we conduct a large-scale scientific study into the impact of random seeds during diffusion inference. Remarkably, we reveal that the best 'golden' seed achieved an impressive FID of 21.60, compared to the worst 'inferior' seed's FID of 31.97. Additionally, a classifier can predict the seed number used to generate an image with over 99.9% accuracy in just a few epochs, establishing that seeds are highly distinguishable based on generated images. Encouraged by these findings, we examined the influence of seeds on interpretable visual dimensions. We find that certain seeds consistently produce grayscale images, prominent sky regions, or image borders. Seeds also affect image composition, including object location, size, and depth. Moreover, by leveraging these 'golden' seeds, we demonstrate improved image generation such as high-fidelity inference and diversified sampling. Our investigation extends to inpainting tasks, where we uncover some seeds that tend to insert unwanted text artifacts. Overall, our extensive analyses highlight the importance of selecting good seeds and offer practical utility for image generation.

  • 3 authors
·
May 23, 2024

USAGE: A Unified Seed Area Generation Paradigm for Weakly Supervised Semantic Segmentation

Seed area generation is usually the starting point of weakly supervised semantic segmentation (WSSS). Computing the Class Activation Map (CAM) from a multi-label classification network is the de facto paradigm for seed area generation, but CAMs generated from Convolutional Neural Networks (CNNs) and Transformers are prone to be under- and over-activated, respectively, which makes the strategies to refine CAMs for CNNs usually inappropriate for Transformers, and vice versa. In this paper, we propose a Unified optimization paradigm for Seed Area GEneration (USAGE) for both types of networks, in which the objective function to be optimized consists of two terms: One is a generation loss, which controls the shape of seed areas by a temperature parameter following a deterministic principle for different types of networks; The other is a regularization loss, which ensures the consistency between the seed areas that are generated by self-adaptive network adjustment from different views, to overturn false activation in seed areas. Experimental results show that USAGE consistently improves seed area generation for both CNNs and Transformers by large margins, e.g., outperforming state-of-the-art methods by a mIoU of 4.1% on PASCAL VOC. Moreover, based on the USAGE-generated seed areas on Transformers, we achieve state-of-the-art WSSS results on both PASCAL VOC and MS COCO.

  • 6 authors
·
Mar 14, 2023

A hybrid deep-learning-metaheuristic framework for bi-level network design problems

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic assignment problem and use inferences made by the trained model to calculate fitness function evaluations of a genetic algorithm (GA) to approximate solutions for NDPs. Using three test networks, two NDP variants and an exact solver as benchmark, we show that on average, our proposed framework can provide solutions within 1.5% gap of the best results in less than 0.5% of the time used by the exact solution procedure. Our framework can be utilized within an expert system for infrastructure planning to determine the best infrastructure planning and management decisions under different scenarios. Given the flexibility of the framework, it can easily be adapted to many other decision problems that can be modeled as bi-level problems on graphs. Moreover, we foreseen interesting future research directions, thus we also put forward a brief research agenda for this topic. The key observation from our research that can shape future research is that the fitness function evaluation time using the inferences made by the GNN model was in the order of milliseconds, which points to an opportunity and a need for novel heuristics that 1) can cope well with noisy fitness function values provided by deep learning models, and 2) can use the significantly enlarged efficiency of the evaluation step to explore the search space effectively (rather than efficiently). This opens a new avenue for a modern class of metaheuristics that are crafted for use with AI-powered predictors.

  • 2 authors
·
Mar 10, 2023

Improving Pareto Set Learning for Expensive Multi-objective Optimization via Stein Variational Hypernetworks

Expensive multi-objective optimization problems (EMOPs) are common in real-world scenarios where evaluating objective functions is costly and involves extensive computations or physical experiments. Current Pareto set learning methods for such problems often rely on surrogate models like Gaussian processes to approximate the objective functions. These surrogate models can become fragmented, resulting in numerous small uncertain regions between explored solutions. When using acquisition functions such as the Lower Confidence Bound (LCB), these uncertain regions can turn into pseudo-local optima, complicating the search for globally optimal solutions. To address these challenges, we propose a novel approach called SVH-PSL, which integrates Stein Variational Gradient Descent (SVGD) with Hypernetworks for efficient Pareto set learning. Our method addresses the issues of fragmented surrogate models and pseudo-local optima by collectively moving particles in a manner that smooths out the solution space. The particles interact with each other through a kernel function, which helps maintain diversity and encourages the exploration of underexplored regions. This kernel-based interaction prevents particles from clustering around pseudo-local optima and promotes convergence towards globally optimal solutions. Our approach aims to establish robust relationships between trade-off reference vectors and their corresponding true Pareto solutions, overcoming the limitations of existing methods. Through extensive experiments across both synthetic and real-world MOO benchmarks, we demonstrate that SVH-PSL significantly improves the quality of the learned Pareto set, offering a promising solution for expensive multi-objective optimization problems.

  • 5 authors
·
Dec 23, 2024

Bridging Evolutionary Multiobjective Optimization and GPU Acceleration via Tensorization

Evolutionary multiobjective optimization (EMO) has made significant strides over the past two decades. However, as problem scales and complexities increase, traditional EMO algorithms face substantial performance limitations due to insufficient parallelism and scalability. While most work has focused on algorithm design to address these challenges, little attention has been given to hardware acceleration, thereby leaving a clear gap between EMO algorithms and advanced computing devices, such as GPUs. To bridge the gap, we propose to parallelize EMO algorithms on GPUs via the tensorization methodology. By employing tensorization, the data structures and operations of EMO algorithms are transformed into concise tensor representations, which seamlessly enables automatic utilization of GPU computing. We demonstrate the effectiveness of our approach by applying it to three representative EMO algorithms: NSGA-III, MOEA/D, and HypE. To comprehensively assess our methodology, we introduce a multiobjective robot control benchmark using a GPU-accelerated physics engine. Our experiments show that the tensorized EMO algorithms achieve speedups of up to 1113x compared to their CPU-based counterparts, while maintaining solution quality and effectively scaling population sizes to hundreds of thousands. Furthermore, the tensorized EMO algorithms efficiently tackle complex multiobjective robot control tasks, producing high-quality solutions with diverse behaviors. Source codes are available at https://github.com/EMI-Group/evomo.

  • 5 authors
·
Mar 26, 2025 3

Explaining and Breaking the Safety-Helpfulness Ceiling via Preference Dimensional Expansion

In the realm of multi-objective alignment for large language models, balancing disparate human preferences often manifests as a zero-sum conflict. Specifically, the intrinsic tension between competing goals dictates that aggressively optimizing for one metric (e.g., helpfulness) frequently incurs a substantial penalty on another (e.g., harmlessness). While prior work mainly focuses on data selection, parameter merging, or algorithmic balancing during training, these approaches merely force compromises between divergent preferences along a fixed Pareto frontier, failing to fundamentally resolve the inherent trade-off. In this work, we approach this problem from a novel perspective of multi-dimensional rewards. By scaling up the model's rollouts and analyzing the outputs across different reward dimensions, we arrive at a critical conclusion: the conflict among multiple objectives stems from the fact that the prompt itself inherently restricts the achievable multi-dimensional rewards. Based on this core observation, we propose MORA: Multi-Objective Reward Assimilation. Specifically, MORA isolates single-reward prompts through pre-sampling and expands their reward diversity by rewriting the original questions to incorporate multi-dimensional intents. Extensive experiments demonstrate that: (1) in sequential alignment, MORA achieves single-preference improvements ranging from 5% to 12.4%, with exceptional gains in harmlessness, after multiple-preference alignment across helpful, harmless, and truthful dimensions. (2) In simultaneous alignment, MORA achieves an average overall reward improvement of 4.6%. Our codes are available at https://github.com/Shiying-Huang/MORA-MPA.

  • 9 authors
·
May 12

Voronoi-Elitism Genetic Algorithm: A Generic Derivative-Free Routine With Theory and Implementation for Statistical Optimization

In this paper, we propose a generic optimization approach for challenging objective functions that finds applications in various statistical problems. We focus on objective functions with two parameter blocks of one amenable to analytic optimization, and another that is irregular or computationally expensive. To address this setting, we propose the Voronoi-Elitism Genetic Algorithm (VEGA), a derivative-free optimization method that embeds geometric information into genetic search. The proposed algorithm retains elite candidates and constructs Voronoi-based neighborhoods around them, whose crossover and self-adaptive mutation balance exploitation of promising solutions with exploration of under-covered regions. We study the high dimensional behavior of genetic search by analyzing distance concentration, and the effects of population size and shrinking mutation, which shows that the algorithm improves spatial coverage and yields sharper distance bounds under limited computational budgets. Simulation studies are conducted to compare VEGA with two genetic-type algorithms competitors in finite samples. A real data application on Stack Exchange activity data further illustrates its ability to identify stable structural changes, implying the algorithm is computationally flexible for high-dimensional, derivative-free optimization and applicable for various statistical problems.

  • 3 authors
·
May 30

Ensembling Portfolio Strategies for Long-Term Investments: A Distribution-Free Preference Framework for Decision-Making and Algorithms

This paper investigates the problem of ensembling multiple strategies for sequential portfolios to outperform individual strategies in terms of long-term wealth. Due to the uncertainty of strategies' performances in the future market, which are often based on specific models and statistical assumptions, investors often mitigate risk and enhance robustness by combining multiple strategies, akin to common approaches in collective learning prediction. However, the absence of a distribution-free and consistent preference framework complicates decisions of combination due to the ambiguous objective. To address this gap, we introduce a novel framework for decision-making in combining strategies, irrespective of market conditions, by establishing the investor's preference between decisions and then forming a clear objective. Through this framework, we propose a combinatorial strategy construction, free from statistical assumptions, for any scale of component strategies, even infinite, such that it meets the determined criterion. Finally, we test the proposed strategy along with its accelerated variant and some other multi-strategies. The numerical experiments show results in favor of the proposed strategies, albeit with small tradeoffs in their Sharpe ratios, in which their cumulative wealths eventually exceed those of the best component strategies while the accelerated strategy significantly improves performance.

  • 1 authors
·
Jun 5, 2024

MToP: A MATLAB Benchmarking Platform for Evolutionary Multitasking

Evolutionary multitasking (EMT) has emerged as a popular topic of evolutionary computation over the past decade. It aims to concurrently address multiple optimization tasks within limited computing resources, leveraging inter-task knowledge transfer techniques. Despite the abundance of multitask evolutionary algorithms (MTEAs) proposed for multitask optimization (MTO), there remains a need for a comprehensive software platform to help researchers evaluate MTEA performance on benchmark MTO problems as well as explore real-world applications. To bridge this gap, we introduce the first open-source benchmarking platform, named MToP, for EMT. MToP incorporates over 50 MTEAs, more than 200 MTO problem cases with real-world applications, and over 20 performance metrics. Based on these, we provide benchmarking recommendations tailored for different MTO scenarios. Moreover, to facilitate comparative analyses between MTEAs and traditional evolutionary algorithms, we adapted over 50 popular single-task evolutionary algorithms to address MTO problems. Notably, we release extensive pre-run experimental data on benchmark suites to enhance reproducibility and reduce computational overhead for researchers. MToP features a user-friendly graphical interface, facilitating results analysis, data export, and schematic visualization. More importantly, MToP is designed with extensibility in mind, allowing users to develop new algorithms and tackle emerging problem domains. The source code of MToP is available at: https://github.com/intLyc/MTO-Platform

  • 7 authors
·
Dec 13, 2023

Optimizing Mario Adventures in a Constrained Environment

This project proposes and compares a new way to optimise Super Mario Bros. (SMB) environment where the control is in hand of two approaches, namely, Genetic Algorithm (MarioGA) and NeuroEvolution (MarioNE). Not only we learn playing SMB using these techniques, but also optimise it with constrains of collection of coins and finishing levels. Firstly, we formalise the SMB agent to maximize the total value of collected coins (reward) and maximising the total distance traveled (reward) in order to finish the level faster (time penalty) for both the algorithms. Secondly, we study MarioGA and its evaluation function (fitness criteria) including its representation methods, crossover used, mutation operator formalism, selection method used, MarioGA loop, and few other parameters. Thirdly, MarioNE is applied on SMB where a population of ANNs with random weights is generated, and these networks control Marios actions in the game. Fourth, SMB is further constrained to complete the task within the specified time, rebirths (deaths) within the limit, and performs actions or moves within the maximum allowed moves, while seeking to maximize the total coin value collected. This ensures an efficient way of finishing SMB levels. Finally, we provide a fivefold comparative analysis by plotting fitness plots, ability to finish different levels of world 1, and domain adaptation (transfer learning) of the trained models.

  • 1 authors
·
Dec 14, 2023

Illuminating search spaces by mapping elites

Many fields use search algorithms, which automatically explore a search space to find high-performing solutions: chemists search through the space of molecules to discover new drugs; engineers search for stronger, cheaper, safer designs, scientists search for models that best explain data, etc. The goal of search algorithms has traditionally been to return the single highest-performing solution in a search space. Here we describe a new, fundamentally different type of algorithm that is more useful because it provides a holistic view of how high-performing solutions are distributed throughout a search space. It creates a map of high-performing solutions at each point in a space defined by dimensions of variation that a user gets to choose. This Multi-dimensional Archive of Phenotypic Elites (MAP-Elites) algorithm illuminates search spaces, allowing researchers to understand how interesting attributes of solutions combine to affect performance, either positively or, equally of interest, negatively. For example, a drug company may wish to understand how performance changes as the size of molecules and their cost-to-produce vary. MAP-Elites produces a large diversity of high-performing, yet qualitatively different solutions, which can be more helpful than a single, high-performing solution. Interestingly, because MAP-Elites explores more of the search space, it also tends to find a better overall solution than state-of-the-art search algorithms. We demonstrate the benefits of this new algorithm in three different problem domains ranging from producing modular neural networks to designing simulated and real soft robots. Because MAP- Elites (1) illuminates the relationship between performance and dimensions of interest in solutions, (2) returns a set of high-performing, yet diverse solutions, and (3) improves finding a single, best solution, it will advance science and engineering.

  • 2 authors
·
Apr 19, 2015

Multi-fidelity Bayesian Optimization in Engineering Design

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.

  • 2 authors
·
Nov 21, 2023

Online Matching with Stochastic Rewards: Advanced Analyses Using Configuration Linear Programs

Mehta and Panigrahi (2012) proposed Online Matching with Stochastic Rewards, which generalizes the Online Bipartite Matching problem of Karp, Vazirani, and Vazirani (1990) by associating the edges with success probabilities. This new feature captures the pay-per-click model in online advertising. Recently, Huang and Zhang (2020) studied this problem under the online primal dual framework using the Configuration Linear Program (LP), and got the best known competitive ratios of the Stochastic Balance algorithm. Their work suggests that the more expressive Configuration LP is more suitable for this problem than the Matching LP. This paper advances the theory of Configuration LP in two directions. Our technical contribution includes a characterization of the joint matching outcome of an offline vertex and all its neighbors. This characterization may be of independent interest, and is aligned with the spirit of Configuration LP. By contrast, previous analyses of Ranking generally focus on only one neighbor. Second, we designed a Stochastic Configuration LP that captures a stochastic benchmark proposed by Goyal and Udwani (2020), who used a Path-based LP. The Stochastic Configuration LP is smaller and simpler than the Path-based LP. Moreover, using the new LP we improved the competitive ratio of Stochastic Balance from 0.596 to 0.611 when the success probabilities are infinitesimal, and to 0.613 when the success probabilities are further equal.

  • 6 authors
·
Sep 18, 2023

An Evolutionary Task Scheduling Algorithm Using Fuzzy Fitness Evaluation Method for Communication Satellite Network

Communications satellite network (CSN), as an integral component of the next generation of communication systems, has the capability to offer services globally. Data transmission in this network primarily relies on two modes: inter-satellite communication and satellite-to-ground station communication. The latter directly impacts the successful reception of data by users. However, due to resource and task limitations, finding a satisfactory solution poses a significant challenge. The communication satellite-ground station network scheduling problem (CS-GSNSP) aims to optimize CSN effectiveness by devising a plan that maximizes link construction time while considering constraints associated with satellite operation modes. The large number of tasks and numerous constraints in the problem result in a time-consuming evaluation of fitness function values. To address this issue, we propose a fuzzy fitness evaluation method (FFEM) that employs fuzzy or real evaluation methods based on individual similarity degrees. Additionally, we introduce an evolutionary algorithm based on FFEM, called evolutionary algorithm based on FFEM (FFEEA), for iteratively searching high-quality network construction schemes. In FFEEA, an adaptive crossover approach is used for efficient population search. Finally, extensive experiments are conducted to demonstrate that our proposed fuzzy fitness evaluation method and other improvement strategies significantly enhance satellite network service time. The study introduces a novel approach to enhance the efficiency of solving combinatorial optimization problems, such as CS-GSNSP, by mitigating the complexity associated with fitness evaluation.

  • 6 authors
·
Aug 24, 2024

Hyperparameter Optimization for Multi-Objective Reinforcement Learning

Reinforcement learning (RL) has emerged as a powerful approach for tackling complex problems. The recent introduction of multi-objective reinforcement learning (MORL) has further expanded the scope of RL by enabling agents to make trade-offs among multiple objectives. This advancement not only has broadened the range of problems that can be tackled but also created numerous opportunities for exploration and advancement. Yet, the effectiveness of RL agents heavily relies on appropriately setting their hyperparameters. In practice, this task often proves to be challenging, leading to unsuccessful deployments of these techniques in various instances. Hence, prior research has explored hyperparameter optimization in RL to address this concern. This paper presents an initial investigation into the challenge of hyperparameter optimization specifically for MORL. We formalize the problem, highlight its distinctive challenges, and propose a systematic methodology to address it. The proposed methodology is applied to a well-known environment using a state-of-the-art MORL algorithm, and preliminary results are reported. Our findings indicate that the proposed methodology can effectively provide hyperparameter configurations that significantly enhance the performance of MORL agents. Furthermore, this study identifies various future research opportunities to further advance the field of hyperparameter optimization for MORL.

  • 4 authors
·
Oct 25, 2023

Decision Tree Induction Through LLMs via Semantically-Aware Evolution

Decision trees are a crucial class of models offering robust predictive performance and inherent interpretability across various domains, including healthcare, finance, and logistics. However, current tree induction methods often face limitations such as suboptimal solutions from greedy methods or prohibitive computational costs and limited applicability of exact optimization approaches. To address these challenges, we propose an evolutionary optimization method for decision tree induction based on genetic programming (GP). Our key innovation is the integration of semantic priors and domain-specific knowledge about the search space into the optimization algorithm. To this end, we introduce LLEGO, a framework that incorporates semantic priors into genetic search operators through the use of Large Language Models (LLMs), thereby enhancing search efficiency and targeting regions of the search space that yield decision trees with superior generalization performance. This is operationalized through novel genetic operators that work with structured natural language prompts, effectively utilizing LLMs as conditional generative models and sources of semantic knowledge. Specifically, we introduce fitness-guided crossover to exploit high-performing regions, and diversity-guided mutation for efficient global exploration of the search space. These operators are controlled by corresponding hyperparameters that enable a more nuanced balance between exploration and exploitation across the search space. Empirically, we demonstrate across various benchmarks that LLEGO evolves superior-performing trees compared to existing tree induction methods, and exhibits significantly more efficient search performance compared to conventional GP approaches.

  • 3 authors
·
Mar 18, 2025

An EMO Joint Pruning with Multiple Sub-networks: Fast and Effect

The network pruning algorithm based on evolutionary multi-objective (EMO) can balance the pruning rate and performance of the network. However, its population-based nature often suffers from the complex pruning optimization space and the highly resource-consuming pruning structure verification process, which limits its application. To this end, this paper proposes an EMO joint pruning with multiple sub-networks (EMO-PMS) to reduce space complexity and resource consumption. First, a divide-and-conquer EMO network pruning framework is proposed, which decomposes the complex EMO pruning task on the whole network into easier sub-tasks on multiple sub-networks. On the one hand, this decomposition reduces the pruning optimization space and decreases the optimization difficulty; on the other hand, the smaller network structure converges faster, so the computational resource consumption of the proposed algorithm is lower. Secondly, a sub-network training method based on cross-network constraints is designed so that the sub-network can process the features generated by the previous one through feature constraints. This method allows sub-networks optimized independently to collaborate better and improves the overall performance of the pruned network. Finally, a multiple sub-networks joint pruning method based on EMO is proposed. For one thing, it can accurately measure the feature processing capability of the sub-networks with the pre-trained feature selector. For another, it can combine multi-objective pruning results on multiple sub-networks through global performance impairment ranking to design a joint pruning scheme. The proposed algorithm is validated on three datasets with different challenging. Compared with fifteen advanced pruning algorithms, the experiment results exhibit the effectiveness and efficiency of the proposed algorithm.

  • 4 authors
·
Mar 28, 2023

MO-MIX: Multi-Objective Multi-Agent Cooperative Decision-Making With Deep Reinforcement Learning

Deep reinforcement learning (RL) has been applied extensively to solve complex decision-making problems. In many real-world scenarios, tasks often have several conflicting objectives and may require multiple agents to cooperate, which are the multi-objective multi-agent decision-making problems. However, only few works have been conducted on this intersection. Existing approaches are limited to separate fields and can only handle multi-agent decision-making with a single objective, or multi-objective decision-making with a single agent. In this paper, we propose MO-MIX to solve the multi-objective multi-agent reinforcement learning (MOMARL) problem. Our approach is based on the centralized training with decentralized execution (CTDE) framework. A weight vector representing preference over the objectives is fed into the decentralized agent network as a condition for local action-value function estimation, while a mixing network with parallel architecture is used to estimate the joint action-value function. In addition, an exploration guide approach is applied to improve the uniformity of the final non-dominated solutions. Experiments demonstrate that the proposed method can effectively solve the multi-objective multi-agent cooperative decision-making problem and generate an approximation of the Pareto set. Our approach not only significantly outperforms the baseline method in all four kinds of evaluation metrics, but also requires less computational cost.

  • 4 authors
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Feb 28

Dual-Domain Representation Alignment: Bridging 2D and 3D Vision via Geometry-Aware Architecture Search

Modern computer vision requires balancing predictive accuracy with real-time efficiency, yet the high inference cost of large vision models (LVMs) limits deployment on resource-constrained edge devices. Although Evolutionary Neural Architecture Search (ENAS) is well suited for multi-objective optimization, its practical use is hindered by two issues: expensive candidate evaluation and ranking inconsistency among subnetworks. To address them, we propose EvoNAS, an efficient distributed framework for multi-objective evolutionary architecture search. We build a hybrid supernet that integrates Vision State Space and Vision Transformer (VSS-ViT) modules, and optimize it with a Cross-Architecture Dual-Domain Knowledge Distillation (CA-DDKD) strategy. By coupling the computational efficiency of VSS blocks with the semantic expressiveness of ViT modules, CA-DDKD improves the representational capacity of the shared supernet and enhances ranking consistency, enabling reliable fitness estimation during evolution without extra fine-tuning. To reduce the cost of large-scale validation, we further introduce a Distributed Multi-Model Parallel Evaluation (DMMPE) framework based on GPU resource pooling and asynchronous scheduling. Compared with conventional data-parallel evaluation, DMMPE improves efficiency by over 70% through concurrent multi-GPU, multi-model execution. Experiments on COCO, ADE20K, KITTI, and NYU-Depth v2 show that the searched architectures, termed EvoNets, consistently achieve Pareto-optimal trade-offs between accuracy and efficiency. Compared with representative CNN-, ViT-, and Mamba-based models, EvoNets deliver lower inference latency and higher throughput under strict computational budgets while maintaining strong generalization on downstream tasks such as novel view synthesis. Code is available at https://github.com/EMI-Group/evonas

  • 6 authors
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Mar 19

It's Morphing Time: Unleashing the Potential of Multiple LLMs via Multi-objective Optimization

In this paper, we introduce a novel approach for addressing the multi-objective optimization problem in large language model merging via black-box multi-objective optimization algorithms. The goal of model merging is to combine multiple models, each excelling in different tasks, into a single model that outperforms any of the individual source models. However, model merging faces two significant challenges: First, existing methods rely heavily on human knowledge or intuition. Second, it's difficult to obtain the great model merging configuration in limited evaluations. To address these challenges, we formalize model merging as a multi-objective optimization problem and propose an automated optimization approach named MM-MO. This method leverages multi-objective optimization algorithms to autonomously search for optimal merging configurations across various tasks, alleviating the need for human intervention. In MM-MO, a weak-to-strong method is employed to enhance the acquisition function, allowing previously evaluated superior configurations to guide the search for new ones. Meanwhile, Fisher information is applied to screen these configurations, increasing the possibility of identifying high-quality merging configuration. Additionally, we designed a sparsity metric as an additional optimization objective to enhance the model's generalization performance across different tasks. We conducted comprehensive experiments with other mainstream model merging methods, demonstrating that the proposed MM-MO algorithm is competitive and effective in achieving high-quality model merging.

  • 8 authors
·
Jun 29, 2024

B4: Towards Optimal Assessment of Plausible Code Solutions with Plausible Tests

Selecting the best code solution from multiple generated ones is an essential task in code generation, which can be achieved by using some reliable validators (e.g., developer-written test cases) for assistance. Since reliable test cases are not always available and can be expensive to build in practice, researchers propose to automatically generate test cases to assess code solutions. However, when both code solutions and test cases are plausible and not reliable, selecting the best solution becomes challenging. Although some heuristic strategies have been proposed to tackle this problem, they lack a strong theoretical guarantee and it is still an open question whether an optimal selection strategy exists. Our work contributes in two ways. First, we show that within a Bayesian framework, the optimal selection strategy can be defined based on the posterior probability of the observed passing states between solutions and tests. The problem of identifying the best solution is then framed as an integer programming problem. Second, we propose an efficient approach for approximating this optimal (yet uncomputable) strategy, where the approximation error is bounded by the correctness of prior knowledge. We then incorporate effective prior knowledge to tailor code generation tasks. Both theoretical and empirical studies confirm that existing heuristics are limited in selecting the best solutions with plausible test cases. Our proposed approximated optimal strategy B4 significantly surpasses existing heuristics in selecting code solutions generated by large language models (LLMs) with LLM-generated tests, achieving a relative performance improvement by up to 50% over the strongest heuristic and 246% over the random selection in the most challenging scenarios. Our code is publicly available at https://github.com/ZJU-CTAG/B4.

  • 7 authors
·
Sep 13, 2024 2

Optimistic Games for Combinatorial Bayesian Optimization with Application to Protein Design

Bayesian optimization (BO) is a powerful framework to optimize black-box expensive-to-evaluate functions via sequential interactions. In several important problems (e.g. drug discovery, circuit design, neural architecture search, etc.), though, such functions are defined over large combinatorial and unstructured spaces. This makes existing BO algorithms not feasible due to the intractable maximization of the acquisition function over these domains. To address this issue, we propose GameOpt, a novel game-theoretical approach to combinatorial BO. GameOpt establishes a cooperative game between the different optimization variables, and selects points that are game equilibria of an upper confidence bound acquisition function. These are stable configurations from which no variable has an incentive to deviate- analog to local optima in continuous domains. Crucially, this allows us to efficiently break down the complexity of the combinatorial domain into individual decision sets, making GameOpt scalable to large combinatorial spaces. We demonstrate the application of GameOpt to the challenging protein design problem and validate its performance on four real-world protein datasets. Each protein can take up to 20^{X} possible configurations, where X is the length of a protein, making standard BO methods infeasible. Instead, our approach iteratively selects informative protein configurations and very quickly discovers highly active protein variants compared to other baselines.

  • 4 authors
·
Sep 27, 2024

A Decoupled Basis-Vector-Driven Generative Framework for Dynamic Multi-Objective Optimization

Dynamic multi-objective optimization requires continuous tracking of moving Pareto fronts. Existing methods struggle with irregular mutations and data sparsity, primarily facing three challenges: the non-linear coupling of dynamic modes, negative transfer from outdated historical data, and the cold-start problem during environmental switches. To address these issues, this paper proposes a decoupled basis-vector-driven generative framework (DB-GEN). First, to resolve non-linear coupling, the framework employs the discrete wavelet transform to separate evolutionary trajectories into low-frequency trends and high-frequency details. Second, to mitigate negative transfer, it learns transferable basis vectors via sparse dictionary learning rather than directly memorizing historical instances. Recomposing these bases under a topology-aware contrastive constraint constructs a structured latent manifold. Finally, to overcome the cold-start problem, a surrogate-assisted search paradigm samples initial populations from this manifold. Pre-trained on 120 million solutions, DB-GEN performs direct online inference without retraining or fine-tuning. This zero-shot generation process executes in milliseconds, requiring approximately 0.2 seconds per environmental change. Experimental results demonstrate that DB-GEN improves tracking accuracy across various dynamic benchmarks compared to existing algorithms.

  • 5 authors
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Mar 31

Theoretical Challenges in Learning for Branch-and-Cut

Machine learning is increasingly used to guide branch-and-cut (B&C) for mixed-integer linear programming by learning score-based policies for selecting branching variables and cutting planes. Many approaches train on local signals from lookahead heuristics such as strong branching, and linear programming (LP) bound improvement for cut selection. Training and evaluation of the learned models often focus on local score accuracy. We show that such local score-based methods can lead to search trees exponentially larger than optimal tree sizes, by identifying two sources of this gap. The first is that these widely used expert signals can be misaligned with overall tree size. LP bound improvement can select a root cut set that yields an exponentially larger strong branching tree than selecting cuts by a simple proxy score, and strong branching itself can be exponentially suboptimal (Dey et al., 2024). The second is that small discrepancies can be amplified by the branch-and-bound recursion. An arbitrarily small perturbation of the right-hand sides in a root cut set can change the minimum tree size from a single node to exponentially many. For branching, arbitrarily small score discrepancies, and differences only in tie-breaking, can produce trees of exponentially different sizes, and even a small number of decision differences along a trajectory can incur exponential growth. These results show that branch-and-cut policies trained and learned using local expert scores do not guarantee small trees, thus motivating the study of data-driven methods that produce policies better aligned with tree size rather than only accuracy on expert scores.

  • 2 authors
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Jan 29

A Controlled Candidate-Set Benchmark for Offline Satellite-Security Plan Decomposition

Some security-development settings require local models that map an objective to an ordered, checkable plan. We present a low-rank decomposition adapter and release a case-disjoint corpus with 24 authored decompositions and 83 derived next-step examples across 24 satellite-security cases. To prevent reference-plan leakage, prompts contain one objective and eight shuffled SPARTA candidates. The evaluation candidate sets are constructed with oracle inclusion of every reference technique, so this study measures selection from a controlled set, not retrieval. On six fixed cases and five decoding seeds, mean scores vary across adapters and prompted Qwen2.5 baselines; a separate greedy check over three adapter training seeds shows non-negligible training variance. A 24-fold greedy leave-one-case-out control at the two compact sizes likewise shows tradeoffs: at 1.5B, adapter precision is 0.583 against 0.480 for two-shot prompting, while recall is 0.586 against 0.660. Case-resampling intervals for adapter precision relative to the strongest prompted baseline cross zero at 1.5B and 7B. The adapter is also substantially more format-compliant, which prevents attributing all score differences to selection. Autoregressive next-step accuracy is 0.08, 0.06, and 0.29 at 0.5B, 1.5B, and 7B. We therefore offer the formulation, leakage-controlled dataset, reproducibility package, and descriptive analysis as a proof of concept, not evidence of a reliable stand-alone decomposition system or a general adapter advantage. A separate diagnostic tests contract reuse.

  • 3 authors
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Jul 28

MOMAland: A Set of Benchmarks for Multi-Objective Multi-Agent Reinforcement Learning

Many challenging tasks such as managing traffic systems, electricity grids, or supply chains involve complex decision-making processes that must balance multiple conflicting objectives and coordinate the actions of various independent decision-makers (DMs). One perspective for formalising and addressing such tasks is multi-objective multi-agent reinforcement learning (MOMARL). MOMARL broadens reinforcement learning (RL) to problems with multiple agents each needing to consider multiple objectives in their learning process. In reinforcement learning research, benchmarks are crucial in facilitating progress, evaluation, and reproducibility. The significance of benchmarks is underscored by the existence of numerous benchmark frameworks developed for various RL paradigms, including single-agent RL (e.g., Gymnasium), multi-agent RL (e.g., PettingZoo), and single-agent multi-objective RL (e.g., MO-Gymnasium). To support the advancement of the MOMARL field, we introduce MOMAland, the first collection of standardised environments for multi-objective multi-agent reinforcement learning. MOMAland addresses the need for comprehensive benchmarking in this emerging field, offering over 10 diverse environments that vary in the number of agents, state representations, reward structures, and utility considerations. To provide strong baselines for future research, MOMAland also includes algorithms capable of learning policies in such settings.

  • 13 authors
·
Jul 23, 2024 3

C-MORL: Multi-Objective Reinforcement Learning through Efficient Discovery of Pareto Front

Multi-objective reinforcement learning (MORL) excels at handling rapidly changing preferences in tasks that involve multiple criteria, even for unseen preferences. However, previous dominating MORL methods typically generate a fixed policy set or preference-conditioned policy through multiple training iterations exclusively for sampled preference vectors, and cannot ensure the efficient discovery of the Pareto front. Furthermore, integrating preferences into the input of policy or value functions presents scalability challenges, in particular as the dimension of the state and preference space grow, which can complicate the learning process and hinder the algorithm's performance on more complex tasks. To address these issues, we propose a two-stage Pareto front discovery algorithm called Constrained MORL (C-MORL), which serves as a seamless bridge between constrained policy optimization and MORL. Concretely, a set of policies is trained in parallel in the initialization stage, with each optimized towards its individual preference over the multiple objectives. Then, to fill the remaining vacancies in the Pareto front, the constrained optimization steps are employed to maximize one objective while constraining the other objectives to exceed a predefined threshold. Empirically, compared to recent advancements in MORL methods, our algorithm achieves more consistent and superior performances in terms of hypervolume, expected utility, and sparsity on both discrete and continuous control tasks, especially with numerous objectives (up to nine objectives in our experiments).

  • 7 authors
·
Oct 3, 2024

Multi-Objective Reinforcement Learning Based on Decomposition: A Taxonomy and Framework

Multi-objective reinforcement learning (MORL) extends traditional RL by seeking policies making different compromises among conflicting objectives. The recent surge of interest in MORL has led to diverse studies and solving methods, often drawing from existing knowledge in multi-objective optimization based on decomposition (MOO/D). Yet, a clear categorization based on both RL and MOO/D is lacking in the existing literature. Consequently, MORL researchers face difficulties when trying to classify contributions within a broader context due to the absence of a standardized taxonomy. To tackle such an issue, this paper introduces multi-objective reinforcement learning based on decomposition (MORL/D), a novel methodology bridging the literature of RL and MOO. A comprehensive taxonomy for MORL/D is presented, providing a structured foundation for categorizing existing and potential MORL works. The introduced taxonomy is then used to scrutinize MORL research, enhancing clarity and conciseness through well-defined categorization. Moreover, a flexible framework derived from the taxonomy is introduced. This framework accommodates diverse instantiations using tools from both RL and MOO/D. Its versatility is demonstrated by implementing it in different configurations and assessing it on contrasting benchmark problems. Results indicate MORL/D instantiations achieve comparable performance to current state-of-the-art approaches on the studied problems. By presenting the taxonomy and framework, this paper offers a comprehensive perspective and a unified vocabulary for MORL. This not only facilitates the identification of algorithmic contributions but also lays the groundwork for novel research avenues in MORL.

  • 3 authors
·
Nov 21, 2023

Adaptive Sampling Strategies to Construct Equitable Training Datasets

In domains ranging from computer vision to natural language processing, machine learning models have been shown to exhibit stark disparities, often performing worse for members of traditionally underserved groups. One factor contributing to these performance gaps is a lack of representation in the data the models are trained on. It is often unclear, however, how to operationalize representativeness in specific applications. Here we formalize the problem of creating equitable training datasets, and propose a statistical framework for addressing this problem. We consider a setting where a model builder must decide how to allocate a fixed data collection budget to gather training data from different subgroups. We then frame dataset creation as a constrained optimization problem, in which one maximizes a function of group-specific performance metrics based on (estimated) group-specific learning rates and costs per sample. This flexible approach incorporates preferences of model-builders and other stakeholders, as well as the statistical properties of the learning task. When data collection decisions are made sequentially, we show that under certain conditions this optimization problem can be efficiently solved even without prior knowledge of the learning rates. To illustrate our approach, we conduct a simulation study of polygenic risk scores on synthetic genomic data -- an application domain that often suffers from non-representative data collection. We find that our adaptive sampling strategy outperforms several common data collection heuristics, including equal and proportional sampling, demonstrating the value of strategic dataset design for building equitable models.

  • 7 authors
·
Jan 31, 2022

Robust Model-Based Optimization for Challenging Fitness Landscapes

Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next. These methods are challenged by sparsity of high-fitness samples in the training set, a problem that has been in the literature. A less recognized but equally important problem stems from the distribution of training samples in the design space: leading methods are not designed for scenarios where the desired optimum is in a region that is not only poorly represented in training data, but also relatively far from the highly represented low-fitness regions. We show that this problem of "separation" in the design space is a significant bottleneck in existing model-based optimization tools and propose a new approach that uses a novel VAE as its search model to overcome the problem. We demonstrate its advantage over prior methods in robustly finding improved samples, regardless of the imbalance and separation between low- and high-fitness training samples. Our comprehensive benchmark on real and semi-synthetic protein datasets as well as solution design for physics-informed neural networks, showcases the generality of our approach in discrete and continuous design spaces. Our implementation is available at https://github.com/sabagh1994/PGVAE.

  • 6 authors
·
May 22, 2023

Benchmarking on Tasks That Matter: Dataset Selection for Preserving Model Rankings

Benchmarks of machine learning models often include many datasets, making evaluation expensive. For efficiency, it is preferable to perform evaluations on small, representative datasets instead. The selection of such subsets typically relies on heuristics and is rarely analyzed for the robustness of the resulting model rankings. We introduce a framework to perform the task of selecting datasets subsets with an evaluation of how different selection strategies preserve the global model rankings. Our framework includes bootstrap aggregation, which provides valid confidence intervals, allowing a principled comparison of selection strategies. We consider clustering, design criteria (A/D-optimality), random baselines, and greedy farthest-first (FAFI). For the latter, we derive upper bounds on selection quality in terms of ranking errors as a function of the number of selected datasets. Empirically, in time series classification (TSC, 112 datasets) and in a supplementary natural language processing benchmark derived from MTEB (57 tasks), several selection strategies improve rank preservation compared with random subsets, including simple FAFI. In contrast, in recommender systems (30 datasets), the improvement of strategies over random selection is small and typically statistically insignificant. For TSC, our best-performing strategy achieves a Spearman correlation of 0.95 with the full benchmark model rankings using only five selected datasets. Additional experiments indicate that the effectiveness of selection approaches depends on both the quality of dataset representations and the scale of the benchmarking regime.

  • 2 authors
·
Jun 25

Cascading Reinforcement Learning

Cascading bandits have gained popularity in recent years due to their applicability to recommendation systems and online advertising. In the cascading bandit model, at each timestep, an agent recommends an ordered subset of items (called an item list) from a pool of items, each associated with an unknown attraction probability. Then, the user examines the list, and clicks the first attractive item (if any), and after that, the agent receives a reward. The goal of the agent is to maximize the expected cumulative reward. However, the prior literature on cascading bandits ignores the influences of user states (e.g., historical behaviors) on recommendations and the change of states as the session proceeds. Motivated by this fact, we propose a generalized cascading RL framework, which considers the impact of user states and state transition into decisions. In cascading RL, we need to select items not only with large attraction probabilities but also leading to good successor states. This imposes a huge computational challenge due to the combinatorial action space. To tackle this challenge, we delve into the properties of value functions, and design an oracle BestPerm to efficiently find the optimal item list. Equipped with BestPerm, we develop two algorithms CascadingVI and CascadingBPI, which are both computationally-efficient and sample-efficient, and provide near-optimal regret and sample complexity guarantees. Furthermore, we present experiments to show the improved computational and sample efficiencies of our algorithms compared to straightforward adaptations of existing RL algorithms in practice.

  • 3 authors
·
Jan 16, 2024