MO-IOHinspector: Anytime Benchmarking of Multi-Objective Algorithms using IOHprofiler

Benchmarking is one of the key ways in which we can gain insight into the strengths and weaknesses of optimization algorithms. In sampling-based optimization, considering the anytime behavior of an algorithm can provide valuable insights for further developments. In the context of multi-objective optimization, this anytime perspective is not as widely adopted as in the single-objective context. In this paper, we propose a new software tool which uses principles from unbounded archiving as a logging structure. This leads to a clearer separation between experimental design and subsequent analysis decisions. We integrate this approach as a new Python module into the IOHprofiler framework and demonstrate the benefits of this approach by showcasing the ability to change indicators, aggregations, and ranking procedures during the analysis pipeline.

Controlling the Mutation in Large Language Models for the Efficient Evolution of Algorithms

The integration of Large Language Models (LLMs) with evolutionary computation (EC) has introduced a promising paradigm for automating the design of metaheuristic algorithms. However, existing frameworks, such as the Large Language Model Evolutionary Algorithm (LLaMEA), often lack precise control over mutation mechanisms, leading to inefficiencies in solution space exploration and potentially suboptimal convergence. This paper introduces a novel approach to mutation control within LLM-driven evolutionary frameworks, inspired by theory of genetic algorithms. Specifically, we propose dynamic mutation prompts that adaptively regulate mutation rates, leveraging a heavy-tailed power-law distribution to balance exploration and exploitation. Experiments using GPT-3.5-turbo and GPT-4o models demonstrate that GPT-3.5-turbo fails to adhere to the specific mutation instructions, while GPT-4o is able to adapt its mutation based on the prompt engineered dynamic prompts. Further experiments show that the introduction of these dynamic rates can improve the convergence speed and adaptability of LLaMEA, when using GPT-4o. This work sets the starting point for better controlled LLM-based mutations in code optimization tasks, paving the way for further advancements in automated metaheuristic design.

A Dataset for Evaluating Online Anomaly Detection Approaches for Discrete Multivariate Time Series

Benchmarking anomaly detection approaches for multivariate time series is challenging due to the lack of high-quality datasets. Current publicly available datasets are too small, not diverse and feature trivial anomalies, which hinders measurable progress in this research area. We propose a solution: a diverse, extensive, and non-trivial dataset generated via state-of-the-art simulation tools that reflects realistic behaviour of an automotive powertrain, including its multivariate, dynamic and variable-state properties. To cater for both unsupervised and semi-supervised anomaly detection settings, as well as time series generation and forecasting, we make different versions of the dataset available, where training and test subsets are offered in contaminated and clean versions, depending on the task. We also provide baseline results from a small selection of approaches based on deterministic and variational autoencoders, as well as a non-parametric approach. As expected, the baseline experimentation shows that the approaches trained on the semi-supervised version of the dataset outperform their unsupervised counterparts, highlighting a need for approaches more robust to contaminated training data.

NeuroNURBS: Learning Efficient Surface Representations for 3D Solids

Boundary Representation (B-Rep) is the de facto representation of 3D solids in Computer-Aided Design (CAD). B-Rep solids are defined with a set of NURBS (Non-Uniform Rational B-Splines) surfaces forming a closed volume. To represent a surface, current works often employ the UV-grid approximation, i.e., sample points uniformly on the surface. However, the UV-grid method is not efficient in surface representation and sometimes lacks precision and regularity. In this work, we propose NeuroNURBS, a representation learning method to directly encode the parameters of NURBS surfaces. Our evaluation in solid generation and segmentation tasks indicates that the NeuroNURBS performs comparably and, in some cases, superior to UV-grids, but with a significantly improved efficiency: for training the surface autoencoder, GPU consumption is reduced by 86.7%; memory requirement drops by 79.9% for storing 3D solids. Moreover, adapting BrepGen for solid generation with our NeuroNURBS improves the FID from 30.04 to 27.24, and resolves the undulating issue in generated surfaces.

Comparative Analysis of Indicators for Multiobjective Diversity Optimization

Indicator-based (multiobjective) diversity optimization aims at finding a set of near (Pareto-)optimal solutions that maximizes a diversity indicator, where diversity is typically interpreted as the number of essentially different solutions. Whereas, in the first diversity-oriented evolutionary multiobjective optimization algorithm, the NOAH algorithm by Ulrich and Thiele, the Solow Polasky Diversity (also related to Magnitude) served as a metric, other diversity indicators might be considered, such as the parameter-free Max-Min Diversity, and the Riesz s-Energy, which features uniformly distributed solution sets. In this paper, focusing on multiobjective diversity optimization, we discuss different diversity indicators from the perspective of indicator-based evolutionary algorithms (IBEA) with multiple objectives. We examine theoretical, computational, and practical properties of these indicators, such as monotonicity in species, twinning, monotonicity in distance, strict monotonicity in distance, uniformity of maximizing point sets, computational effort for a set of size~n, single-point contributions, subset selection, and submodularity. We present new theorems -- including a proof of the NP-hardness of the Riesz s-Energy Subset Selection Problem -- and consolidate existing results from the literature. In the second part, we apply these indicators in the NOAH algorithm and analyze search dynamics through an example. We examine how optimizing with one indicator affects the performance of others and propose NOAH adaptations specific to the Max-Min indicator.

TX-Gen: Multi-Objective Optimization for Sparse Counterfactual Explanations for Time-Series Classification

In time-series classification, understanding model decisions is crucial for their application in high-stakes domains such as healthcare and finance. Counterfactual explanations, which provide insights by presenting alternative inputs that change model predictions, offer a promising solution. However, existing methods for generating counterfactual explanations for time-series data often struggle with balancing key objectives like proximity, sparsity, and validity. In this paper, we introduce TX-Gen, a novel algorithm for generating counterfactual explanations based on the Non-dominated Sorting Genetic Algorithm II (NSGA-II). TX-Gen leverages evolutionary multi-objective optimization to find a diverse set of counterfactuals that are both sparse and valid, while maintaining minimal dissimilarity to the original time series. By incorporating a flexible reference-guided mechanism, our method improves the plausibility and interpretability of the counterfactuals without relying on predefined assumptions. Extensive experiments on benchmark datasets demonstrate that TX-Gen outperforms existing methods in generating high-quality counterfactuals, making time-series models more transparent and interpretable.

Landscape-Aware Automated Algorithm Configuration using Multi-output Mixed Regression and Classification

In landscape-aware algorithm selection problem, the effectiveness of feature-based predictive models strongly depends on the representativeness of training data for practical applications. In this work, we investigate the potential of randomly generated functions (RGF) for the model training, which cover a much more diverse set of optimization problem classes compared to the widely-used black-box optimization benchmarking (BBOB) suite. Correspondingly, we focus on automated algorithm configuration (AAC), that is, selecting the best suited algorithm and fine-tuning its hyperparameters based on the landscape features of problem instances. Precisely, we analyze the performance of dense neural network (NN) models in handling the multi-output mixed regression and classification tasks using different training data sets, such as RGF and many-affine BBOB (MA-BBOB) functions. Based on our results on the BBOB functions in 5d and 20d, near optimal configurations can be identified using the proposed approach, which can most of the time outperform the off-the-shelf default configuration considered by practitioners with limited knowledge about AAC. Furthermore, the predicted configurations are competitive against the single best solver in many cases. Overall, configurations with better performance can be best identified by using NN models trained on a combination of RGF and MA-BBOB functions.

Online Model-based Anomaly Detection in Multivariate Time Series: Taxonomy, Survey, Research Challenges and Future Directions

Time-series anomaly detection plays an important role in engineering processes, like development, manufacturing and other operations involving dynamic systems. These processes can greatly benefit from advances in the field, as state-of-the-art approaches may aid in cases involving, for example, highly dimensional data. To provide the reader with understanding of the terminology, this survey introduces a novel taxonomy where a distinction between online and offline, and training and inference is made. Additionally, it presents the most popular data sets and evaluation metrics used in the literature, as well as a detailed analysis. Furthermore, this survey provides an extensive overview of the state-of-the-art model-based online semi- and unsupervised anomaly detection approaches for multivariate time-series data, categorising them into different model families and other properties. The biggest research challenge revolves around benchmarking, as currently there is no reliable way to compare different approaches against one another. This problem is two-fold: on the one hand, public data sets suffers from at least one fundamental flaw, while on the other hand, there is a lack of intuitive and representative evaluation metrics in the field. Moreover, the way most publications choose a detection threshold disregards real-world conditions, which hinders the application in the real world. To allow for tangible advances in the field, these issues must be addressed in future work.

TeVAE: A Variational Autoencoder Approach for Discrete Online Anomaly Detection in Variable-state Multivariate Time-series Data

As attention to recorded data grows in the realm of automotive testing and manual evaluation reaches its limits, there is a growing need for automatic online anomaly detection. This real-world data is complex in many ways and requires the modelling of testee behaviour. To address this, we propose a temporal variational autoencoder (TeVAE) that can detect anomalies with minimal false positives when trained on unlabelled data. Our approach also avoids the bypass phenomenon and introduces a new method to remap individual windows to a continuous time series. Furthermore, we propose metrics to evaluate the detection delay and root-cause capability of our approach and present results from experiments on a real-world industrial data set. When properly configured, TeVAE flags anomalies only 6% of the time wrongly and detects 65% of anomalies present. It also has the potential to perform well with a smaller training and validation subset but requires a more sophisticated threshold estimation method.

LLaMEA: A Large Language Model Evolutionary Algorithm for Automatically Generating Metaheuristics

Large Language Models (LLMs) such as GPT-4 have demonstrated their ability to understand natural language and generate complex code snippets. This paper introduces a novel Large Language Model Evolutionary Algorithm (LLaMEA) framework, leveraging GPT models for the automated generation and refinement of algorithms. Given a set of criteria and a task definition (the search space), LLaMEA iteratively generates, mutates and selects algorithms based on performance metrics and feedback from runtime evaluations. This framework offers a unique approach to generating optimized algorithms without requiring extensive prior expertise. We show how this framework can be used to generate novel black-box metaheuristic optimization algorithms automatically. LLaMEA generates multiple algorithms that outperform state-of-the-art optimization algorithms (Covariance Matrix Adaptation Evolution Strategy and Differential Evolution) on the five dimensional black box optimization benchmark (BBOB). The algorithms also show competitive performance on the 10- and 20-dimensional instances of the test functions, although they have not seen such instances during the automated generation process. The results demonstrate the feasibility of the framework and identify future directions for automated generation and optimization of algorithms via LLMs.