Search

Antimicrobial peptides (AMPs) have exhibited unprecedented potential as biomaterials in combating multidrug-resistant bacteria. Despite the increasing adoption of artificial intelligence for novel AMP design, challenges pertaining to conflicting attributes such as activity, hemolysis, and toxicity have significantly impeded the progress of researchers. This paper introduces a paradigm shift by considering multiple attributes in AMP design. Presented herein is a novel approach termed Hypervolume-driven Multi-objective Antimicrobial Peptide Design (HMAMP), which prioritizes the simultaneous optimization of multiple attributes of AMPs. By synergizing reinforcement learning and a gradient descent algorithm rooted in the hypervolume maximization concept, HMAMP effectively expands exploration space and mitigates the issue of pattern collapse. This method generates a wide array of prospective AMP candidates that strike a balance among diverse attributes. Furthermore, we pinpoint knee points along the Pareto front of these candidate AMPs. Empirical results across five benchmark models substantiate that HMAMP-designed AMPs exhibit competitive performance and heightened diversity. A detailed analysis of the helical structures and molecular dynamics simulations for ten potential candidate AMPs validates the superiority of HMAMP in the realm of multi-objective AMP design. The ability of HMAMP to systematically craft AMPs considering multiple attributes marks a pioneering milestone, establishing a universal computational framework for the multi-objective design of AMPs.

Cooperative co-evolution (CC) algorithms, based on the divide-and-conquer strategy, have emerged as the predominant approach to solving large-scale global optimization (LSGO) problems. The efficiency and accuracy of the grouping stage significantly impact the performance of the optimization process. While the general separability grouping (GSG) method has overcome the limitation of previous differential grouping (DG) methods by enabling the decomposition of non-additively separable functions, it suffers from high computational complexity. To address this challenge, this article proposes a composite separability grouping (CSG) method, seamlessly integrating DG and GSG into a problem decomposition framework to utilize the strengths of both approaches. CSG introduces a step-by-step decomposition framework that accurately decomposes various problem types using fewer computational resources. By sequentially identifying additively, multiplicatively and generally separable variables, CSG progressively groups non-separable variables by recursively considering the interactions between each non-separable variable and the formed non-separable groups. Furthermore, to enhance the efficiency and accuracy of CSG, we introduce two innovative methods: a multiplicatively separable variable detection method and a non-separable variable grouping method. These two methods are designed to effectively detect multiplicatively separable variables and efficiently group non-separable variables, respectively. Extensive experimental results demonstrate that CSG achieves more accurate variable grouping with lower computational complexity compared to GSG and state-of-the-art DG series designs.

Gasoline blending scheduling uses resource allocation and operation sequencing to meet a refinery's production requirements. The presence of nonlinearity, integer constraints, and a large number of decision variables adds complexity to this problem, posing challenges for traditional and evolutionary algorithms. This paper introduces a novel multiobjective optimization approach driven by a diffusion model (named DMO), which is designed specifically for gasoline blending scheduling. To address integer constraints and generate feasible schedules, the diffusion model creates multiple intermediate distributions between Gaussian noise and the feasible domain. Through iterative processes, the solutions transition from Gaussian noise to feasible schedules while optimizing the objectives using the gradient descent method. DMO achieves simultaneous objective optimization and constraint adherence. Comparative tests are conducted to evaluate DMO's performance across various scales. The experimental results demonstrate that DMO surpasses state-of-the-art multiobjective evolutionary algorithms in terms of efficiency when solving gasoline blending scheduling problems.

The large-scale multiobjective optimization problem (LSMOP) is characterized by simultaneously optimizing multiple conflicting objectives and involving hundreds of decision variables. Many real-world applications in engineering fields can be modeled as LSMOPs; simultaneously, engineering applications require insensitivity in performance. This requirement usually means that the results from the algorithm runs should not only be good for every run in terms of performance but also that the performance of multiple runs should not fluctuate too much, i.e., the algorithm shows good insensitivity. Considering that substantial computational resources are requested for each run, it is essential to improve upon the performance of the large-scale multiobjective optimization algorithm, as well as the insensitivity of the algorithm. However, existing large-scale multiobjective optimization algorithms solely focus on improving the performance of the algorithms, leaving the insensitivity characteristics unattended. In this work, we propose an evolutionary algorithm for solving LSMOPs based on Monte Carlo tree search, the so-called LMMOCTS, which aims to improve the performance and insensitivity for large-scale multiobjective optimization problems. The proposed method samples the decision variables to construct new nodes on the Monte Carlo tree for optimization and evaluation. It selects nodes with good evaluation for further search to reduce the performance sensitivity caused by large-scale decision variables. We compare the proposed algorithm with several state-of-the-art designs on different benchmark functions. We also propose two metrics to measure the sensitivity of the algorithm. The experimental results confirm the effectiveness and performance insensitivity of the proposed design for solving large-scale multiobjective optimization problems., Comment: 12 pages, 11 figures

Neural Architecture Search (NAS) has received increasing attention because of its exceptional merits in automating the design of Deep Neural Network (DNN) architectures. However, the performance evaluation process, as a key part of NAS, often requires training a large number of DNNs. This inevitably causes NAS computationally expensive. In past years, many Efficient Evaluation Methods (EEMs) have been proposed to address this critical issue. In this paper, we comprehensively survey these EEMs published up to date, and provide a detailed analysis to motivate the further development of this research direction. Specifically, we divide the existing EEMs into four categories based on the number of DNNs trained for constructing these EEMs. The categorization can reflect the degree of efficiency in principle, which can in turn help quickly grasp the methodological features. In surveying each category, we further discuss the design principles and analyze the strength and weaknesses to clarify the landscape of existing EEMs, thus making easily understanding the research trends of EEMs. Furthermore, we also discuss the current challenges and issues to identify future research directions in this emerging topic. To the best of our knowledge, this is the first work that extensively and systematically surveys the EEMs of NAS.

Evolutionary computation-based neural architecture search (ENAS) is a popular technique for automating architecture design of deep neural networks. Despite its groundbreaking applications, there is no theoretical study for ENAS. The expected hitting time (EHT) is one of the most important theoretical issues, since it implies the average computational time complexity. This paper proposes a general method by integrating theory and experiment for estimating the EHT of ENAS algorithms, which includes common configuration, search space partition, transition probability estimation, population distribution fitting, and hitting time analysis. By exploiting the proposed method, we consider the ($\lambda$+$\lambda$)-ENAS algorithms with different mutation operators and estimate the lower bounds of the EHT. Furthermore, we study the EHT on the NAS-Bench-101 problem, and the results demonstrate the validity of the proposed method. To the best of our knowledge, this work is the first attempt to establish a theoretical foundation for ENAS algorithms., Comment: This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessible

Monocular depth estimation is one of the fundamental tasks in environmental perception and has achieved tremendous progress in virtue of deep learning. However, the performance of trained models tends to degrade or deteriorate when employed on other new datasets due to the gap between different datasets. Though some methods utilize domain adaptation technologies to jointly train different domains and narrow the gap between them, the trained models cannot generalize to new domains that are not involved in training. To boost the transferability of depth estimation models, we propose an adversarial depth estimation task and train the model in the pipeline of meta-learning. Our proposed adversarial task mitigates the issue of meta-overfitting, since the network is trained in an adversarial manner and aims to extract domain invariant representations. In addition, we propose a constraint to impose upon cross-task depth consistency to compel the depth estimation to be identical in different adversarial tasks, which improves the performance of our method and smoothens the training process. Experiments demonstrate that our method adapts well to new datasets after few training steps during the test procedure.

The computational models for geophysical flows are computationally very expensive to employ in multi-query tasks such as data assimilation, uncertainty quantification, and hence surrogate models sought to alleviate the computational burden associated with these full order models. Researchers have started applying machine learning algorithms, particularly neural networks, to build data-driven surrogate models for geophysical flows. The performance of the neural network highly relies upon its architecture design and selection of other hyperparameters. These neural networks are usually manually designed through trial and error to maximize their performance. This often requires domain knowledge of the neural network as well as the problems of interest. This limitation can be addressed by using an evolutionary algorithm to automatically design architecture and select optimal hyperparameters of the neural network. In this paper, we apply the genetic algorithm to effectively design the long short-term memory (LSTM) neural network to build the non-intrusive reduced order model of the sea-surface temperature field.

Neural architecture search (NAS), which automatically designs the architectures of deep neural networks, has achieved breakthrough success over many applications in the past few years. Among different classes of NAS methods, evolutionary computation based NAS (ENAS) methods have recently gained much attention. Unfortunately, the issues of fair comparisons and efficient evaluations have hindered the development of ENAS. The current benchmark architecture datasets designed for fair comparisons only provide the datasets, not the ENAS algorithms or the platform to run the algorithms. The existing efficient evaluation methods are either not suitable for the population-based ENAS algorithm or are too complex to use. This paper develops a platform named BenchENAS to address these issues. BenchENAS aims to achieve fair comparisons by running different algorithms in the same environment and with the same settings. To achieve efficient evaluation in a common lab environment, BenchENAS designs a parallel component and a cache component with high maintainability. Furthermore, BenchENAS is easy to install and highly configurable and modular, which brings benefits in good usability and easy extensibility. The paper conducts efficient comparison experiments on eight ENAS algorithms with high GPU utilization on this platform. The experiments validate that the fair comparison issue does exist, and BenchENAS can alleviate this issue. A website has been built to promote BenchENAS at https://benchenas.com, where interested researchers can obtain the source code and document of BenchENAS for free., Comment: 14 pages, 5 figures

Arrhythmia detection from ECG is an important research subject in the prevention and diagnosis of cardiovascular diseases. The prevailing studies formulate arrhythmia detection from ECG as a time series classification problem. Meanwhile, early detection of arrhythmia presents a real-world demand for early prevention and diagnosis. In this paper, we address a problem of cardiovascular disease early classification, which is a varied-length and long-length time series early classification problem as well. For solving this problem, we propose a deep reinforcement learning-based framework, namely Snippet Policy Network (SPN), consisting of four modules, snippet generator, backbone network, controlling agent, and discriminator. Comparing to the existing approaches, the proposed framework features flexible input length, solves the dual-optimization solution of the earliness and accuracy goals. Experimental results demonstrate that SPN achieves an excellent performance of over 80\% in terms of accuracy. Compared to the state-of-the-art methods, at least 7% improvement on different metrics, including the precision, recall, F1-score, and harmonic mean, is delivered by the proposed SPN. To the best of our knowledge, this is the first work focusing on solving the cardiovascular early classification problem based on varied-length ECG data. Based on these excellent features from SPN, it offers a good exemplification for addressing all kinds of varied-length time series early classification problems.

Real-world multiobjective optimization problems usually involve conflicting objectives that change over time, which requires the optimization algorithms to quickly track the Pareto optimal front (POF) when the environment changes. In recent years, evolutionary algorithms based on prediction models have been considered promising. However, most existing approaches only make predictions based on the linear correlation between a finite number of optimal solutions in two or three previous environments. These incomplete information extraction strategies may lead to low prediction accuracy in some instances. In this paper, a novel prediction algorithm based on incremental support vector machine (ISVM) is proposed, called ISVM-DMOEA. We treat the solving of dynamic multiobjective optimization problems (DMOPs) as an online learning process, using the continuously obtained optimal solution to update an incremental support vector machine without discarding the solution information at earlier time. ISVM is then used to filter random solutions and generate an initial population for the next moment. To overcome the obstacle of insufficient training samples, a synthetic minority oversampling strategy is implemented before the training of ISVM. The advantage of this approach is that the nonlinear correlation between solutions can be explored online by ISVM, and the information contained in all historical optimal solutions can be exploited to a greater extent. The experimental results and comparison with chosen state-of-the-art algorithms demonstrate that the proposed algorithm can effectively tackle dynamic multiobjective optimization problems., Comment: 13 pages,4 figures, and 4 tables

Unmanned aerial vehicle (UAV) can provide superior flexibility and cost-efficiency for modern radar imaging systems, which is an ideal platform for advanced remote sensing applications using synthetic aperture radar (SAR) technology. In this paper, an energy-efficient passive UAV radar imaging system using illuminators of opportunity is first proposed and investigated. Equipped with a SAR receiver, the UAV platform passively reuses the backscattered signal of the target scene from an external illuminator, such as SAR satellite, GNSS or ground-based stationary commercial illuminators, and achieves bi-static SAR imaging and data communication. The system can provide instant accessibility to the radar image of the interested targets with enhanced platform concealment, which is an essential tool for stealth observation and scene monitoring. The mission concept and system block diagram are first presented with justifications on the advantages of the system. Then, a set of mission performance evaluators is established to quantitatively assess the capability of the system in a comprehensive manner, including UAV navigation, passive SAR imaging and communication. Finally, the validity of the proposed performance evaluators are verified by numerical simulations.

Deep Neural Networks (DNNs) have achieved great success in many applications. The architectures of DNNs play a crucial role in their performance, which is usually manually designed with rich expertise. However, such a design process is labour intensive because of the trial-and-error process, and also not easy to realize due to the rare expertise in practice. Neural Architecture Search (NAS) is a type of technology that can design the architectures automatically. Among different methods to realize NAS, Evolutionary Computation (EC) methods have recently gained much attention and success. Unfortunately, there has not yet been a comprehensive summary of the EC-based NAS algorithms. This paper reviews over 200 papers of most recent EC-based NAS methods in light of the core components, to systematically discuss their design principles as well as justifications on the design. Furthermore, current challenges and issues are also discussed to identify future research in this emerging field., Comment: this paper has been accepted for publication by IEEE Transactions on Neural Networks and Learning Systems (2021)

Previous work has shown that adversarial learning can be used for unsupervised monocular depth and visual odometry (VO) estimation, in which the adversarial loss and the geometric image reconstruction loss are utilized as the mainly supervisory signals to train the whole unsupervised framework. However, the performance of the adversarial framework and image reconstruction is usually limited by occlusions and the visual field changes between frames. This paper proposes a masked generative adversarial network (GAN) for unsupervised monocular depth and ego-motion estimation.The MaskNet and Boolean mask scheme are designed in this framework to eliminate the effects of occlusions and impacts of visual field changes on the reconstruction loss and adversarial loss, respectively. Furthermore, we also consider the scale consistency of our pose network by utilizing a new scale-consistency loss, and therefore, our pose network is capable of providing the full camera trajectory over a long monocular sequence. Extensive experiments on the KITTI dataset show that each component proposed in this paper contributes to the performance, and both our depth and trajectory predictions achieve competitive performance on the KITTI and Make3D datasets., Comment: 11 pages, 7 figures

With widespread applications of artificial intelligence (AI), the capabilities of the perception, understanding, decision-making and control for autonomous systems have improved significantly in the past years. When autonomous systems consider the performance of accuracy and transferability, several AI methods, like adversarial learning, reinforcement learning (RL) and meta-learning, show their powerful performance. Here, we review the learning-based approaches in autonomous systems from the perspectives of accuracy and transferability. Accuracy means that a well-trained model shows good results during the testing phase, in which the testing set shares a same task or a data distribution with the training set. Transferability means that when a well-trained model is transferred to other testing domains, the accuracy is still good. Firstly, we introduce some basic concepts of transfer learning and then present some preliminaries of adversarial learning, RL and meta-learning. Secondly, we focus on reviewing the accuracy or transferability or both of them to show the advantages of adversarial learning, like generative adversarial networks (GANs), in typical computer vision tasks in autonomous systems, including image style transfer, image superresolution, image deblurring/dehazing/rain removal, semantic segmentation, depth estimation, pedestrian detection and person re-identification (re-ID). Then, we further review the performance of RL and meta-learning from the aspects of accuracy or transferability or both of them in autonomous systems, involving pedestrian tracking, robot navigation and robotic manipulation. Finally, we discuss several challenges and future topics for using adversarial learning, RL and meta-learning in autonomous systems.

The superiority of Convolutional Neural Networks (CNNs) largely relies on their architectures that are often manually crafted with extensive human expertise. Unfortunately, such kind of domain knowledge is not necessarily owned by each of the users interested. Data mining on existing CNN can discover useful patterns and fundamental sub-comments from their architectures, providing researchers with strong prior knowledge to design proper CNN architectures when they have no expertise in CNNs. There have been various state-of-the-art data mining algorithms at hand, while there is only rare work that has been done for the mining. One of the main reasons is the gap between CNN architectures and data mining algorithms. Specifically, the current CNN architecture descriptions cannot be exactly vectorized to the input of data mining algorithms. In this paper, we propose a unified approach, named ArcText, to describing CNN architectures based on text. Particularly, four different units and an ordering method have been elaborately designed in ArcText, to uniquely describe the same architecture with sufficient information. Also, the resulted description can be exactly converted back to the corresponding CNN architecture. ArcText bridges the gap between CNN architectures and data mining researchers, and has the potentiality to be utilized to wider scenarios.

Currently, Deep Convolutional Neural Networks (DCNNs) are used to solve all kinds of problems in the field of machine learning and artificial intelligence due to their learning and adaptation capabilities. However, most successful DCNN models have a high computational complexity making them difficult to deploy on mobile or embedded platforms. This problem has prompted many researchers to develop algorithms and approaches to help reduce the computational complexity of such models. One of them is called filter pruning, where convolution filters are eliminated to reduce the number of parameters and, consequently, the computational complexity of the given model. In the present work, we propose a novel algorithm to perform filter pruning by using Multi-Objective Evolution Strategy (ES) algorithm, called DeepPruningES. Our approach avoids the need for using any knowledge during the pruning procedure and helps decision-makers by returning three pruned CNN models with different trade-offs between performance and computational complexity. We show that DeepPruningES can significantly reduce a model's computational complexity by testing it on three DCNN architectures: Convolutional Neural Networks (CNNs), Residual Neural Networks (ResNets), and Densely Connected Neural Networks (DenseNets)., Comment: Accepted at Information Sciences