Automated machine learning (AutoML) is a research area focusing on using optimisation techniques to design machine learning (ML) algorithms, alleviating the need for a human to perform manual algorithm design. Real-time AutoML enables the design process to happen while the ML algorithm is being applied to a task. Real-time AutoML is an emerging research area, as such existing real-time AutoML techniques need improvement with respect to the quality of designs and time taken to create designs. To address these issues, this study proposes an Online Meta-learning for AutoML in Real-time (OnMAR) approach. Meta-learning gathers information about the optimisation process undertaken by the ML algorithm in the form of meta-features. Meta-features are used in conjunction with a meta-learner to optimise the optimisation process. The OnMAR approach uses a meta-learner to predict the accuracy of an ML design. If the accuracy predicted by the meta-learner is sufficient, the design is used, and if the predicted accuracy is low, an optimisation technique creates a new design. A genetic algorithm (GA) is the optimisation technique used as part of the OnMAR approach. Different meta-learners (k-nearest neighbours, random forest and XGBoost) are tested. The OnMAR approach is model-agnostic (i.e. not specific to a single real-time AutoML application) and therefore evaluated on three different real-time AutoML applications, namely: composing an image clustering algorithm, configuring the hyper-parameters of a convolutional neural network, and configuring a video classification pipeline. The OnMAR approach is effective, matching or outperforming existing real-time AutoML approaches, with the added benefit of a faster runtime.

Vehicle Routing Problems (VRP) are widely studied issues that play important roles in many production scenarios. We have noticed that in some practical scenarios of VRP, the size of cities and their entrances can significantly influence the optimization process. To address this, we have constructed the Entrance Dependent VRP (EDVRP) to describe such problems. We provide a mathematical formulation for the EDVRP in farms and propose an Ordered Genetic Algorithm (OGA) to solve it. The effectiveness of OGA is demonstrated through our experiments, which involve a multitude of randomly generated cases. The results indicate that OGA offers certain advantages compared to a random strategy baseline and a genetic algorithm without ordering. Furthermore, the novel operators introduced in this paper have been validated through ablation experiments, proving their effectiveness in enhancing the performance of the algorithm.

Machine learning methods can automate the in silico design of biological sequences, aiming to reduce costs and accelerate medical research. Given the limited access to wet labs, in silico design methods commonly use an oracle model to evaluate de novo generated sequences. However, the use of different oracle models across methods makes it challenging to compare them reliably, motivating the question: are in silico sequence design benchmarks reliable? In this work, we examine 12 sequence design methods that utilise ML oracles common in the literature and find that there are significant challenges with their cross-consistency and reproducibility. Indeed, oracles differing by architecture, or even just training seed, are shown to yield conflicting relative performance with our analysis suggesting poor out-of-distribution generalisation as a key issue. To address these challenges, we propose supplementing the evaluation with a suite of biophysical measures to assess the viability of generated sequences and limit out-of-distribution sequences the oracle is required to score, thereby improving the robustness of the design procedure. Our work aims to highlight potential pitfalls in the current evaluation process and contribute to the development of robust benchmarks, ultimately driving the improvement of in silico design methods.

Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug discovery is to build quantitative structure-activity relationship (QSAR) models, associating the molecular structure of chemical compounds with an activity or property. These properties -- including absorption, distribution, metabolism, excretion and toxicity (ADMET) -- are essential to model compound behaviour, activity and interactions in the organism. Although several methods exist, the majority of them do not provide an appropriate model's personalisation, yielding to bias and lack of generalisation to new data since the chemical space usually shifts from application to application. This fact leads to low predictive performance when completely new data is being tested by the model. The area of Automated Machine Learning (AutoML) emerged aiming to solve this issue, outputting tailored ML algorithms to the data at hand. Although an important task, AutoML has not been practically used to assist cheminformatics and computational chemistry researchers often, with just a few works related to the field. To address these challenges, this work introduces Auto-ADMET, an interpretable evolutionary-based AutoML method for chemical ADMET property prediction. Auto-ADMET employs a Grammar-based Genetic Programming (GGP) method with a Bayesian Network Model to achieve comparable or better predictive performance against three alternative methods -- standard GGP method, pkCSM and XGBOOST model -- on 12 benchmark chemical ADMET property prediction datasets. The use of a Bayesian Network model on Auto-ADMET's evolutionary process assisted in both shaping the search procedure and interpreting the causes of its AutoML performance.

This paper presents a multi-objective version of the Cat Swarm Optimization Algorithm called the Grid-based Multi-objective Cat Swarm Optimization Algorithm (GMOCSO). Convergence and diversity preservation are the two main goals pursued by modern multi-objective algorithms to yield robust results. To achieve these goals, we first replace the roulette wheel method of the original CSO algorithm with a greedy method. Then, two key concepts from Pareto Archived Evolution Strategy Algorithm (PAES) are adopted: the grid system and double archive strategy. Several test functions and a real-world scenario called the Pressure vessel design problem are used to evaluate the proposed algorithm's performance. In the experiment, the proposed algorithm is compared with other well-known algorithms using different metrics such as Reversed Generational Distance, Spacing metric, and Spread metric. The optimization results show the robustness of the proposed algorithm, and the results are further confirmed using statistical methods and graphs. Finally, conclusions and future directions were presented..

Land degradation and air pollution are primarily caused by the salinization of soil and desertification that occurs from the drying of salinity lakes and the release of dust into the atmosphere because of their dried bottom. The complete drying up of a lake has caused a community environmental catastrophe. In this study, we presented an optimization problem to determine the total surface runoff to maintain the level of salinity lake (Urmia Lake). The proposed process has two key stages: identifying the influential factors in determining the lake water level using sensitivity analysis approaches based upon historical data and optimizing the effective variable to stabilize the lake water level under changing design variables. Based upon the Sobol'-Jansen and Morris techniques, the groundwater level and total surface runoff flow are highly effective with nonlinear and interacting impacts of the lake water level. As a result of the sensitivity analysis, we found that it may be possible to effectively manage lake levels by adjusting total surface runoff. We used genetic algorithms, non-linear optimization, and pattern search techniques to solve the optimization problem. Furthermore, the lake level constraint is established based on a pattern as a constant number every month. In order to maintain a consistent pattern of lake levels, it is necessary to increase surface runoff by approximately 8.7 times during filling season. It is necessary to increase this quantity by 33.5 times during the draining season. In the future, the results may serve as a guide for the rehabilitation of the lake.

Given a swarm of limited-capability robots, we seek to automatically discover the set of possible emergent behaviors. Prior approaches to behavior discovery rely on human feedback or hand-crafted behavior metrics to represent and evolve behaviors and only discover behaviors in simulation, without testing or considering the deployment of these new behaviors on real robot swarms. In this work, we present Real2Sim2Real Behavior Discovery via Self-Supervised Representation Learning, which combines representation learning and novelty search to discover possible emergent behaviors automatically in simulation and enable direct controller transfer to real robots. First, we evaluate our method in simulation and show that our proposed self-supervised representation learning approach outperforms previous hand-crafted metrics by more accurately representing the space of possible emergent behaviors. Then, we address the reality gap by incorporating recent work in sim2real transfer for swarms into our lightweight simulator design, enabling direct robot deployment of all behaviors discovered in simulation on an open-source and low-cost robot platform.

Advancements in cloud computing and distributed computing have fostered research activities in Computer science. As a result, researchers have made significant progress in Neural Networks, Evolutionary Computing Algorithms like Genetic, and Differential evolution algorithms. These algorithms are used to develop clustering, recommendation, and question-and-answering systems using various text representation and similarity measurement techniques. In this research paper, Universal Sentence Encoder (USE) is used to capture the semantic similarity of text; And the transfer learning technique is used to apply Genetic Algorithm (GA) and Differential Evolution (DE) algorithms to search and retrieve relevant top N documents based on user query. The proposed approach is applied to the Stanford Question and Answer (SQuAD) Dataset to identify a user query. Finally, through experiments, we prove that text documents can be efficiently represented as sentence embedding vectors using USE to capture the semantic similarity, and by comparing the results of the Manhattan Distance, GA, and DE algorithms we prove that the evolutionary algorithms are good at finding the top N results than the traditional ranking approach.

Efficient crop production requires early detection of pest outbreaks and timely treatments; we consider a solution based on a fleet of multiple autonomous miniaturized unmanned aerial vehicles (nano-UAVs) to visually detect pests and a single slower heavy vehicle that visits the detected outbreaks to deliver treatments. To cope with the extreme limitations aboard nano-UAVs, e.g., low-resolution sensors and sub-100 mW computational power budget, we design, fine-tune, and optimize a tiny image-based convolutional neural network (CNN) for pest detection. Despite the small size of our CNN (i.e., 0.58 GOps/inference), on our dataset, it scores a mean average precision (mAP) of 0.79 in detecting harmful bugs, i.e., 14% lower mAP but 32x fewer operations than the best-performing CNN in the literature. Our CNN runs in real-time at 6.8 frame/s, requiring 33 mW on a GWT GAP9 System-on-Chip aboard a Crazyflie nano-UAV. Then, to cope with in-field unexpected obstacles, we leverage a global+local path planner based on the A* algorithm. The global path planner determines the best route for the nano-UAV to sweep the entire area, while the local one runs up to 50 Hz aboard our nano-UAV and prevents collision by adjusting the short-distance path. Finally, we demonstrate with in-simulator experiments that once a 25 nano-UAVs fleet has combed a 200x200 m vineyard, collected information can be used to plan the best path for the tractor, visiting all and only required hotspots. In this scenario, our efficient transportation system, compared to a traditional single-ground vehicle performing both inspection and treatment, can save up to 20 h working time.

Prompt trading has emerged as a significant intellectual property concern in recent years, where vendors entice users by showcasing sample images before selling prompt templates that can generate similar images. This work investigates a critical security vulnerability: attackers can steal prompt templates using only a limited number of sample images. To investigate this threat, we introduce Prism, a prompt-stealing benchmark consisting of 50 templates and 450 images, organized into Easy and Hard difficulty levels. To identify the vulnerabity of VLMs to prompt stealing, we propose EvoStealer, a novel template stealing method that operates without model fine-tuning by leveraging differential evolution algorithms. The system first initializes population sets using multimodal large language models (MLLMs) based on predefined patterns, then iteratively generates enhanced offspring through MLLMs. During evolution, EvoStealer identifies common features across offspring to derive generalized templates. Our comprehensive evaluation conducted across open-source (INTERNVL2-26B) and closed-source models (GPT-4o and GPT-4o-mini) demonstrates that EvoStealer's stolen templates can reproduce images highly similar to originals and effectively generalize to other subjects, significantly outperforming baseline methods with an average improvement of over 10%. Moreover, our cost analysis reveals that EvoStealer achieves template stealing with negligible computational expenses. Our code and dataset are available at https://github.com/whitepagewu/evostealer.