Ana Nikolikj

Carolin Benjamins, Gjorgjina Cenikj, Ana Nikolikj et al.

Dynamic Algorithm Configuration (DAC) addresses the challenge of dynamically setting hyperparameters of an algorithm for a diverse set of instances rather than focusing solely on individual tasks. Agents trained with Deep Reinforcement Learning (RL) offer a pathway to solve such settings. However, the limited generalization performance of these agents has significantly hindered the application in DAC. Our hypothesis is that a potential bias in the training instances limits generalization capabilities. We take a step towards mitigating this by selecting a representative subset of training instances to overcome overrepresentation and then retraining the agent on this subset to improve its generalization performance. For constructing the meta-features for the subset selection, we particularly account for the dynamic nature of the RL agent by computing time series features on trajectories of actions and rewards generated by the agent's interaction with the environment. Through empirical evaluations on the Sigmoid and CMA-ES benchmarks from the standard benchmark library for DAC, called DACBench, we discuss the potentials of our selection technique compared to training on the entire instance set. Our results highlight the efficacy of instance selection in refining DAC policies for diverse instance spaces.

Christian L. Camacho-Villalón, Ana Nikolikj, Katharina Dost et al.

The PSO-X framework incorporates dozens of modules that have been proposed for solving single-objective continuous optimization problems using particle swarm optimization. While modular frameworks enable users to automatically generate and configure algorithms tailored to specific optimization problems, the complexity of this process increases with the number of modules in the framework and the degrees of freedom defined for their interaction. Understanding how modules affect the performance of algorithms for different problems is critical to making the process of finding effective implementations more efficient and identifying promising areas for further investigation. Despite their practical applications and scientific relevance, there is a lack of empirical studies investigating which modules matter most in modular optimization frameworks and how they interact. In this paper, we analyze the performance of 1424 particle swarm optimization algorithms instantiated from the PSO-X framework on the 25 functions in the CEC'05 benchmark suite with 10 and 30 dimensions. We use functional ANOVA to quantify the impact of modules and their combinations on performance in different problem classes. In practice, this allows us to identify which modules have greater influence on PSO-X performance depending on problem features such as multimodality, mathematical transformations and varying dimensionality. We then perform a cluster analysis to identify groups of problem classes that share similar module effect patterns. Our results show low variability in the importance of modules in all problem classes, suggesting that particle swarm optimization performance is driven by a few influential modules.

Ana Nikolikj, Carola Doerr, Tome Eftimov

Per-instance automated algorithm configuration and selection are gaining significant moments in evolutionary computation in recent years. Two crucial, sometimes implicit, ingredients for these automated machine learning (AutoML) methods are 1) feature-based representations of the problem instances and 2) performance prediction methods that take the features as input to estimate how well a specific algorithm instance will perform on a given problem instance. Non-surprisingly, common machine learning models fail to make predictions for instances whose feature-based representation is underrepresented or not covered in the training data, resulting in poor generalization ability of the models for problems not seen during training.In this work, we study leave-one-problem-out (LOPO) performance prediction. We analyze whether standard random forest (RF) model predictions can be improved by calibrating them with a weighted average of performance values obtained by the algorithm on problem instances that are sufficiently close to the problem for which a performance prediction is sought, measured by cosine similarity in feature space. While our RF+clust approach obtains more accurate performance prediction for several problems, its predictive power crucially depends on the chosen similarity threshold as well as on the feature portfolio for which the cosine similarity is measured, thereby opening a new angle for feature selection in a zero-shot learning setting, as LOPO is termed in machine learning.

Ana Kostovska, Gjorgjina Cenikj, Diederick Vermetten et al.

The performance of automated algorithm selection (AAS) strongly depends on the portfolio of algorithms to choose from. Selecting the portfolio is a non-trivial task that requires balancing the trade-off between the higher flexibility of large portfolios with the increased complexity of the AAS task. In practice, probably the most common way to choose the algorithms for the portfolio is a greedy selection of the algorithms that perform well in some reference tasks of interest. We set out in this work to investigate alternative, data-driven portfolio selection techniques. Our proposed method creates algorithm behavior meta-representations, constructs a graph from a set of algorithms based on their meta-representation similarity, and applies a graph algorithm to select a final portfolio of diverse, representative, and non-redundant algorithms. We evaluate two distinct meta-representation techniques (SHAP and performance2vec) for selecting complementary portfolios from a total of 324 different variants of CMA-ES for the task of optimizing the BBOB single-objective problems in dimensionalities 5 and 30 with different cut-off budgets. We test two types of portfolios: one related to overall algorithm behavior and the `personalized' one (related to algorithm behavior per each problem separately). We observe that the approach built on the performance2vec-based representations favors small portfolios with negligible error in the AAS task relative to the virtual best solver from the selected portfolio, whereas the portfolios built from the SHAP-based representations gain from higher flexibility at the cost of decreased performance of the AAS. Across most considered scenarios, personalized portfolios yield comparable or slightly better performance than the classical greedy approach. They outperform the full portfolio in all scenarios.

Ana Nikolikj, Ana Kostovska, Gjorgjina Cenikj et al.

This study examines the generalization ability of algorithm performance prediction models across various benchmark suites. Comparing the statistical similarity between the problem collections with the accuracy of performance prediction models that are based on exploratory landscape analysis features, we observe that there is a positive correlation between these two measures. Specifically, when the high-dimensional feature value distributions between training and testing suites lack statistical significance, the model tends to generalize well, in the sense that the testing errors are in the same range as the training errors. Two experiments validate these findings: one involving the standard benchmark suites, the BBOB and CEC collections, and another using five collections of affine combinations of BBOB problem instances.

Marko Djukanović, Jaume Reixach, Ana Nikolikj et al.

This paper addresses the Restricted Longest Common Subsequence (RLCS) problem, an extension of the well-known Longest Common Subsequence (LCS) problem. This problem has significant applications in bioinformatics, particularly for identifying similarities and discovering mutual patterns and important motifs among DNA, RNA, and protein sequences. Building on recent advancements in solving this problem through a general search framework, this paper introduces two novel heuristic approaches designed to enhance the search process by steering it towards promising regions in the search space. The first heuristic employs a probabilistic model to evaluate partial solutions during the search process. The second heuristic is based on a neural network model trained offline using a genetic algorithm. A key aspect of this approach is extracting problem-specific features of partial solutions and the complete problem instance. An effective hybrid method, referred to as the learning beam search, is developed by combining the trained neural network model with a beam search framework. An important contribution of this paper is found in the generation of real-world instances where scientific abstracts serve as input strings, and a set of frequently occurring academic words from the literature are used as restricted patterns. Comprehensive experimental evaluations demonstrate the effectiveness of the proposed approaches in solving the RLCS problem. Finally, an empirical explainability analysis is applied to the obtained results. In this way, key feature combinations and their respective contributions to the success or failure of the algorithms across different problem types are identified.

Ana Nikolikj, Gabriela Ochoa, Tome Eftimov

We present an analysis of landscape features for predicting the performance of multi-objective combinatorial optimization algorithms. We consider features from the recently proposed compressed Pareto Local Optimal Solutions Networks (C-PLOS-net) model of combinatorial landscapes. The benchmark instances are a set of rmnk-landscapes with 2 and 3 objectives and various levels of ruggedness and objective correlation. We consider the performance of three algorithms -- Pareto Local Search (PLS), Global Simple EMO Optimizer (GSEMO), and Non-dominated Sorting Genetic Algorithm (NSGA-II) - using the resolution and hypervolume metrics. Our tailored analysis reveals feature combinations that influence algorithm performance specific to certain landscapes. This study provides deeper insights into feature importance, tailored to specific rmnk-landscapes and algorithms.

Ana Nikolikj, Mario Andrés Muñoz, Eva Tuba et al.

This paper leverages the recently introduced concept of algorithm footprints to investigate the interplay between algorithm configurations and problem characteristics. Performance footprints are calculated for six modular variants of the CMA-ES algorithm (modCMA), evaluated on 24 benchmark problems from the BBOB suite, across two-dimensional settings: 5-dimensional and 30-dimensional. These footprints provide insights into why different configurations of the same algorithm exhibit varying performance and identify the problem features influencing these outcomes. Our analysis uncovers shared behavioral patterns across configurations due to common interactions with problem properties, as well as distinct behaviors on the same problem driven by differing problem features. The results demonstrate the effectiveness of algorithm footprints in enhancing interpretability and guiding configuration choices.

Gjorgjina Cenikj, Ana Nikolikj, Gašper Petelin et al.

The selection of the most appropriate algorithm to solve a given problem instance, known as algorithm selection, is driven by the potential to capitalize on the complementary performance of different algorithms across sets of problem instances. However, determining the optimal algorithm for an unseen problem instance has been shown to be a challenging task, which has garnered significant attention from researchers in recent years. In this survey, we conduct an overview of the key contributions to algorithm selection in the field of single-objective continuous black-box optimization. We present ongoing work in representation learning of meta-features for optimization problem instances, algorithm instances, and their interactions. We also study machine learning models for automated algorithm selection, configuration, and performance prediction. Through this analysis, we identify gaps in the state of the art, based on which we present ideas for further development of meta-feature representations.

Ana Nikolikj, Gjorgjina Cenikj, Gordana Ispirova et al.

A key component of automated algorithm selection and configuration, which in most cases are performed using supervised machine learning (ML) methods is a good-performing predictive model. The predictive model uses the feature representation of a set of problem instances as input data and predicts the algorithm performance achieved on them. Common machine learning models struggle to make predictions for instances with feature representations not covered by the training data, resulting in poor generalization to unseen problems. In this study, we propose a workflow to estimate the generalizability of a predictive model for algorithm performance, trained on one benchmark suite to another. The workflow has been tested by training predictive models across benchmark suites and the results show that generalizability patterns in the landscape feature space are reflected in the performance space.

Ana Nikolikj, Michal Pluháček, Carola Doerr et al.

Leave-one-problem-out (LOPO) performance prediction requires machine learning (ML) models to extrapolate algorithms' performance from a set of training problems to a previously unseen problem. LOPO is a very challenging task even for state-of-the-art approaches. Models that work well in the easier leave-one-instance-out scenario often fail to generalize well to the LOPO setting. To address the LOPO problem, recent work suggested enriching standard random forest (RF) performance regression models with a weighted average of algorithms' performance on training problems that are considered similar to a test problem. More precisely, in this RF+clust approach, the weights are chosen proportionally to the distances of the problems in some feature space. Here in this work, we extend the RF+clust approach by adjusting the distance-based weights with the importance of the features for performance regression. That is, instead of considering cosine distance in the feature space, we consider a weighted distance measure, with weights depending on the relevance of the feature for the regression model. Our empirical evaluation of the modified RF+clust approach on the CEC 2014 benchmark suite confirms its advantages over the naive distance measure. However, we also observe room for improvement, in particular with respect to more expressive feature portfolios.