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GLaD: Synergizing Molecular Graphs and Language Descriptors for Enhanced Power Conversion Efficiency Prediction in Organic Photovoltaic Devices

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arXiv 2024年

作者： Nguyen, Thao Torres-Flores, Tiara Hwang, Changhyun Edwards, Carl Diao, Ying Ji, Heng Siebel School of Computing and Data Science University of Illinois Urbana-Champaign United States Department of Chemical & Biomolecular Engineering University of Illinois Urbana-Champaign United States

This paper presents a novel approach for predicting Power Conversion Efficiency (PCE) of Organic Photovoltaic (OPV) devices, called GLaD: synergizing molecular Graphs and Language Descriptors for enhanced PCE prediction. Due to the lack of high-quality experimental data, we collect a dataset consisting of 500 pairs of OPV donor and acceptor molecules along with their corresponding PCE values, which we utilize as the training data for our predictive model. In this low-data regime, GLaD leverages properties learned from large language models (LLMs) pretrained on extensive scientific literature to enrich molecular structural representations, allowing for a multimodal representation of molecules. GLaD achieves precise predictions of PCE, thereby facilitating the synthesis of new OPV molecules with improved efficiency. Furthermore, GLaD showcases versatility, as it applies to a range of molecular property prediction tasks (BBBP, BACE, ClinTox and SIDER (Wu et al., 2018)), not limited to those concerning OPV materials. Especially, GLaD proves valuable for tasks in low-data regimes within the chemical space, as it enriches molecular representations by incorporating molecular property descriptions learned from large-scale pretraining. This capability is significant in real-world scientific endeavors like drug and material discovery, where access to comprehensive data is crucial for informed decision-making and efficient exploration of the chemical space. © 2024, CC BY.

关键词： Molecules

Investigation on Analog and Digital Modulations Recognition Using Machine Learning Algorithms

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World Journal of Engineering and Technology 2024年第4期12卷 867-884页

作者： Jean Ndoumbe Ivan Basile Kabeina Gaelle Patricia Talotsing Soubiel-Noël Nkomo Biloo Laboratory of Computer Engineering Data Science and Artificial Intelligence National Higher Polytechnic School of Douala Douala Cameroon Mobile Computing and Networking Research Laboratory Department of Computer and Software Engineering Polytechnique Montreal Montreal Canada

In the field of radiocommunication, modulation type identification is one of the most important characteristics in signal processing. This study aims to implement a modulation recognition system on two approaches to machine learning techniques, the K-Nearest Neighbors (KNN) and Artificial Neural Networks (ANN). From a statistical and spectral analysis of signals, nine key differentiation features are extracted and used as input vectors for each trained model. The feature extraction is performed by using the Hilbert transform, the forward and inverse Fourier transforms. The experiments with the AMC Master dataset classify ten (10) types of analog and digital modulations. AM_DSB_FC, AM_DSB_SC, AM_USB, AM_LSB, FM, MPSK, 2PSK, MASK, 2ASK, MQAM are put forward in this article. For the simulation of the chosen model, signals are polluted by the Additive White Gaussian Noise (AWGN). The simulation results show that the best identification rate is the MLP neuronal method with 90.5% of accuracy after 10 dB signal-to-noise ratio value, with a shift of more than 15% from the k-nearest neighbors’ algorithm.

关键词： Automatic Recognition Artificial Neural Networks K-Nearest Neighbors Machine Learning Analog Modulations Digital Modulations

Transformative effects of ChatGPT on modern education: Emerging Era of AI Chatbots

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Internet of Things and Cyber-Physical Systems 2024年第1期4卷 19-23页

作者： Gill, Sukhpal Singh Xu, Minxian Patros, Panos Wu, Huaming Kaur, Rupinder Kaur, Kamalpreet Fuller, Stephanie Singh, Manmeet Arora, Priyansh Parlikad, Ajith Kumar Stankovski, Vlado Abraham, Ajith Ghosh, Soumya K. Lutfiyya, Hanan Kanhere, Salil S. Bahsoon, Rami Rana, Omer Dustdar, Schahram Sakellariou, Rizos Uhlig, Steve Buyya, Rajkumar School of Electronic Engineering and Computer Science Queen Mary University of London London United Kingdom Shenzhen Institute of Advanced Technology Chinese Academy of Sciences Shenzhen China Raygun Performance Monitoring Wellington New Zealand Center for Applied Mathematics Tianjin University Tianjin China Department of Science Kings Education London United Kingdom Cymax Group Technologies BC Canada QM Academy Queen Mary University of London London United Kingdom Jackson School of Geosciences University of Texas at Austin AustinTX United States Centre for Climate Change Research Indian Institute of Tropical Meteorology Pune India Microsoft Hyderabad India Institute for Manufacturing Department of Engineering University of Cambridge Cambridge United Kingdom Faculty of Computer and Information Science University of Ljubljana Ljubljana Slovenia Machine Intelligence Research Labs AuburnWA United States Faculty of Computing and Data Science FLAME University Maharashtra Pune India Department of Computer Science and Engineering Indian Institute of Technology Kharagpur India Department of Computer Science University of Western Ontario London Canada Sydney Australia School of Computer Science University of Birmingham United Kingdom School of Computer Science and Informatics Cardiff University Cardiff United Kingdom Distributed Systems Group Vienna University of Technology Vienna Austria Department of Computer Science University of Manchester Oxford Road Manchester United Kingdom Laboratory School of Computing and Information Systems The University of Melbourne Australia

ChatGPT, an AI-based chatbot, offers coherent and useful replies based on analysis of large volumes of data. In this article, leading academics, scientists, distinguish researchers and engineers discuss the transformative effects of ChatGPT on modern education. This research discusses ChatGPT capabilities and its use in the education sector, identifies potential concerns and challenges. Our preliminary evaluation shows that ChatGPT perform differently in different subject areas including finance, coding, maths, and general public queries. While ChatGPT has the ability to help educators by creating instructional content, offering suggestions and acting as an online educator to learners by answering questions, transforming education through smartphones and IoT gadgets, and promoting group work, there are clear drawbacks in its use, such as the possibility of producing inaccurate or false data and circumventing duplicate content (plagiarism) detectors where originality is essential. The often reported "hallucinations" within GenerativeAI in general, and also relevant for ChatGPT, can render its use of limited benefit where accuracy is essential. What ChatGPT lacks is a stochastic measure to help provide sincere and sensitive communication with its users. Academic regulations and evaluation practices used in educational institutions need to be updated, should ChatGPT be used as a tool in education. To address the transformative effects of ChatGPT on the learning environment, educating teachers and students alike about its capabilities and limitations will be crucial. © 2023 The Authors

关键词： Machine learning

Analysis and Performance Evaluation of Credit Card Fraud by Multi-model ML

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Analysis and Performance Evaluation of Credit Card Fraud by ...

International Conference on Advancement in Electrical and Electronic Engineering (ICAEEE)

作者： Md Aminul Islam A. T. M. Asif Imran Md Habibur Rahman Md Amran Hossen Pabel Bhupesh Kumar Mishra Kashinath Basu Data Science School of Engineering and Technology Cheltenham University of Gloucestershire UK Masters in ICT Bangladesh University of Professionals(BUP) Dhaka Department of Mathematics University of Chittagong Chittagong Bangladesh Master of Science in Business Analytics Wright State University Data Science AI & Modelling Centre (DAIM) University of Hull Data Science School of Engineering Computing and Mathematics Oxford Brookes University UK

ISBN: (数字)9798350388282

ISBN: (纸本)9798350388299

Using credit cards is a convenient and efficient payment mechanism. Credit card fraud significantly impacts financial loss, mental health, and the reputation of financial institutions. This study would incorporate an analysis of the preceding statement about eliminating several obstacles associated with the availability of public data, the presence of unbalanced data, the dynamic nature of fraud tendencies, and the prevalence of false alarms. The authors discuss various machine-learning techniques used to detect credit card fraud. Extreme Learning, Decision Trees, Random Forests, Support Vector Machines, Logistic Regression, and XG Boost are among these techniques on the European card benchmark dataset. A comparative evaluation of the effectiveness of machine learning has also been conducted, and precision is increased by incorporating multiple layers. The study’s findings indicate significant improvements in several crucial metrics, including accuracy, f1-score, precision, and AUC curves. XGBoost model achieves optimized values of $99.9 \%$ accuracy. The proposed model outperforms contemporary machine learning approaches in credit card fraud detection. It has been observed that the combination of data balancing techniques significantly reduces the occurrence of false negatives. This study has substantial potential for credit card fraud detection applications in the real world, providing an effective and efficient method for addressing this ongoing critical issue.

关键词： Support vector machines Performance evaluation Logistic regression Accuracy Benchmark testing Credit cards Fraud

Improving VTE Identification through Language Models from Radiology Reports: A Comparative Study of Mamba, Phi-3 Mini, and BERT

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arXiv 2024年

作者： Deng, Jamie Wu, Yusen Yesha, Yelena Nguyen, Phuong Department of Computer Science University of Miami MiamiFL United States Frost Institute for Data Science & Computing University of Miami MiamiFL United States Department of Radiology University of Miami MiamiFL United States

Venous thromboembolism (VTE) is a critical cardiovascular condition, encompassing deep vein thrombosis (DVT) and pulmonary embolism (PE). Accurate and timely identification of VTE is essential for effective medical care. This study builds upon our previous work, which addressed VTE detection using deep learning methods for DVT and a hybrid approach combining deep learning and rule-based classification for PE. Our earlier approaches, while effective, had two major limitations: they were complex and required expert involvement for feature engineering of the rule set. To overcome these challenges, we utilize the Mamba architecture-based classifier. This model achieves remarkable results, with a 97% accuracy and F1 score on the DVT dataset and a 98% accuracy and F1 score on the PE dataset. In contrast to the previous hybrid method on PE identification, the Mamba classifier eliminates the need for hand-engineered rules, significantly reducing model complexity while maintaining comparable performance. Additionally, we evaluated a lightweight Large Language Model (LLM), Phi-3 Mini, in detecting VTE. While this model delivers competitive results, outperforming the baseline BERT models, it proves to be computationally intensive due to its larger parameter set. Our evaluation shows that the Mamba-based model demonstrates superior performance and efficiency in VTE identification, offering an effective solution to the limitations of previous approaches. © 2024, CC BY.

关键词： Classification (of information)

APT Adversarial Defence Mechanism for Industrial IoT Enabled Cyber-Physical System

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IEEE Access 2023年 11卷 74000-74020页

作者： Javed, Safdar Hussain Ahmad, Maaz Bin Asif, Muhammad Akram, Waseem Mahmood, Khalid Das, Ashok Kumar Shetty, Sachin College of Computing and Information Sciences Karachi75190 Pakistan Lahore Garrison University Department of Computer Science Lahore54810 Pakistan National Yunlin University of Science and Technology Graduate School of Intelligent Data Science Douliu64002 Taiwan International Institute of Information Technology at Hyderabad Center for Security Theory and Algorithmic Research Hyderabad500032 India Old Dominion University Simulation and Visualization Engineering Virginia Modeling Analysis and Simulation Center Department of Modeling SuffolkVA23435 United States Old Dominion University Center for Cybersecurity Education and Research SuffolkVA23435 United States

The objective of Advanced Persistent Threat (APT) attacks is to exploit Cyber-Physical Systems (CPSs) in combination with the Industrial Internet of Things (I-IoT) by using fast attack methods. Machine learning (ML) techniques have shown potential in identifying APT attacks in autonomous and malware detection systems. However, detecting hidden APT attacks in the I-IoT-enabled CPS domain and achieving real-time accuracy in detection present significant challenges for these techniques. To overcome these issues, a new approach is suggested that is based on the Graph Attention Network (GAN), a multi-dimensional algorithm that captures behavioral features along with the relevant information that other methods do not deliver. This approach utilizes masked self-attentional layers to address the limitations of prior Deep Learning (DL) methods that rely on convolutions. Two datasets, the DAPT2020 malware, and Edge I-IoT datasets are used to evaluate the approach, and it attains the highest detection accuracy of 96.97% and 95.97%, with prediction time of 20.56 seconds and 21.65 seconds, respectively. The GAN approach is compared to conventional ML algorithms, and simulation results demonstrate a significant performance improvement over these algorithms in the I-IoT-enabled CPS realm. © 2013 IEEE.

关键词： Real time systems

Latent Space Energy-based Neural ODEs

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arXiv 2024年

作者： Cheng, Sheng Kong, Deqian Xie, Jianwen Lee, Kookjin Wu, Ying Nian Yang, Yezhou School of Computing and Augmented Intelligence Arizona State University United States Department of Statistics and Data Science University of California Los Angeles United States Akool Research

This paper introduces novel deep dynamical models designed to represent continuous-time sequences. Our approach employs a neural emission model to generate each data point in the time series through a non-linear transformation of a latent state vector. The evolution of these latent states is implicitly defined by a neural ordinary differential equation (ODE), with the initial state drawn from an informative prior distribution parameterized by an Energy-based model (EBM). This framework is extended to disentangle dynamic states from underlying static factors of variation, represented as time-invariant variables in the latent space. We train the model using maximum likelihood estimation with Markov chain Monte Carlo (MCMC) in an end-to-end manner. Experimental results on oscillating systems, videos and real-world state sequences (MuJoCo) demonstrate that our model with the learnable energy-based prior outperforms existing counterparts, and can generalize to new dynamic parameterization, enabling long-horizon predictions. © 2024, CC BY.

关键词： Markov chains

SpreadFGL: Edge-Client Collaborative Federated Graph Learning with Adaptive Neighbor Generation

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arXiv 2024年

作者： Zhong, Luying Pi, Yueyang Chen, Zheyi Yu, Zhengxin Miao, Wang Chen, Xing Min, Geyong College of Computer and Data Science Fuzhou University China Fujian Provincial Key Laboratory of Network Computing and Intelligent Information Processing Fuzhou University China Engineering Research Center of Big Data Intelligence Ministry of Education China School of Computing and Communications University of Lancaster United Kingdom School of Engineering Computing and Mathematics University of Plymouth United Kingdom Department of Computer Science University of Exeter United Kingdom

Federated Graph Learning (FGL) has garnered widespread attention by enabling collaborative training on multiple clients for semi-supervised classification tasks. However, most existing FGL studies do not well consider the missing inter-client topology information in real-world scenarios, causing insufficient feature aggregation of multi-hop neighbor clients during model training. Moreover, the classic FGL commonly adopts the FedAvg but neglects the high training costs when the number of clients expands, resulting in the overload of a single edge server. To address these important challenges, we propose a novel FGL framework, named SpreadFGL, to promote the information flow in edge-client collaboration and extract more generalized potential relationships between clients. In SpreadFGL, an adaptive graph imputation generator incorporated with a versatile assessor is first designed to exploit the potential links between subgraphs, without sharing raw data. Next, a new negative sampling mechanism is developed to make SpreadFGL concentrate on more refined information in downstream tasks. To facilitate load balancing at the edge layer, SpreadFGL follows a distributed training manner that enables fast model convergence. Using real-world testbed and benchmark graph datasets, extensive experiments demonstrate the effectiveness of the proposed SpreadFGL. The results show that SpreadFGL achieves higher accuracy and faster convergence against state-of-the-art algorithms. Copyright © 2024, The Authors. All rights reserved.

关键词： Graph algorithms

Generative AI for Synthetic data Across Multiple Medical Modalities: A Systematic Review of Recent Developments and Challenges

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arXiv 2024年

作者： Ibrahim, Mahmoud Khalil, Yasmina Al Amirrajab, Sina Sun, Chang Breeuwer, Marcel Pluim, Josien Elen, Bart Ertaylan, Gökhan Dumontier, Michel Institute of Data Science Faculty of Science and Engineering Maastricht University Maastricht Netherlands Department of Advanced Computing Sciences Faculty of Science and Engineering Maastricht University Maastricht Netherlands VITO Belgium Department of Biomedical Engineering Eindhoven University of Technology Eindhoven Netherlands

This paper presents a comprehensive systematic review of generative models (GANs, VAEs, DMs, and LLMs) used to synthesize various medical data types, including imaging (dermoscopic, mammographic, ultrasound, CT, MRI, and X-ray), text, time-series, and tabular data (EHR). Unlike previous narrowly focused reviews, our study encompasses a broad array of medical data modalities and explores various generative models. Our search strategy queries databases such as Scopus, PubMed, and ArXiv, focusing on recent works from January 2021 to November 2023, excluding reviews and perspectives. This period emphasizes recent advancements beyond GANs, which have been extensively covered previously. The survey reveals insights from three key aspects: (1) Synthesis applications and purpose of synthesis, (2) generation techniques, and (3) evaluation methods. It highlights clinically valid synthesis applications, demonstrating the potential of synthetic data to tackle diverse clinical requirements. While conditional models incorporating class labels, segmentation masks and image translations are prevalent, there is a gap in utilizing prior clinical knowledge and patient-specific context, suggesting a need for more personalized synthesis approaches and emphasizing the importance of tailoring generative approaches to the unique characteristics of medical data. Additionally, there is a significant gap in using synthetic data beyond augmentation, such as for validation and evaluation of downstream medical AI models. The survey uncovers that the lack of standardized evaluation methodologies tailored to medical images is a barrier to clinical application, underscoring the need for in-depth evaluation approaches, benchmarking, and comparative studies to promote openness and collaboration. © 2024, CC BY.

关键词： Benchmarking