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arXiv 2025年

作者： Chattoraj, Joyjit Hamadicharef, Brahim Chang, Teo Shi Zeng, Yingzhi Poh, Chee Kok Chen, Luwei Tan, Teck Leong Computing and Intelligence Institute of High Performance Computing Agency for Science Technology and Research Singapore138632 Singapore Department of Catalysis and Green Process Engineering Institute of Sustainability for Chemicals Energy and Environment Agency for Science Technology and Research Singapore627833 Singapore Materials Science and Chemistry Institute of High Performance Computing Agency for Science Technology and Research Singapore138632 Singapore

While the Water-Gas Shift (WGS) reaction plays a crucial role in hydrogen production for fuel cells, finding suitable catalysts to achieve high yields for low-temperature WGS reactions remains a persistent challenge. Artificial Intelligence (AI) has shown promise in accelerating catalyst design by exploring vast candidate spaces, however, two key gaps limit its effectiveness. First, AI models primarily train on numerical data, which fail to capture essential text-based information, such as catalyst synthesis methods. Second, the cross-disciplinary nature of catalyst design requires seamless collaboration between AI, theory, experiments, and numerical simulations, often leading to communication barriers. To address these gaps, we present AceWGS, a Large Language Models (LLMs)-aided framework to streamline WGS catalyst design. AceWGS interacts with researchers through natural language, answering queries based on four features: (i) answering general queries, (ii) extracting information about the database comprising WGS-related journal articles, (iii) comprehending the context described in these articles, and (iv) identifying catalyst candidates using our proposed AI inverse model. We presented a practical case study demonstrating how AceWGS can accelerate the catalyst design process. AceWGS, built with open-source tools, offers an adjustable framework that researchers can readily adapt for a range of AI-accelerated catalyst design applications, supporting seamless integration across cross-disciplinary studies. © 2025, CC BY-NC-ND.

关键词： Water gas shift

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TWAFR-GRU: An Integrated Model for Real-time Charging Station Occupancy Prediction 19

TWAFR-GRU: An Integrated Model for Real-time Charging Statio...

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2022 IEEE SmartWorld, 19th IEEE International Conference on Ubiquitous Intelligence and computing, 2022 IEEE International Conference on Autonomous and Trusted Vehicles Conference, 22nd IEEE International Conference on Scalable computing and Communications, 2022 IEEE International Conference on Digital Twin, 8th IEEE International Conference on Privacy computing and 2022 IEEE International Conference on Metaverse, SmartWorld/UIC/ATC/ScalCom/DigitalTwin/PriComp/Metaverse 2022

作者： Chen, Qiyang Liu, Sheng Qu, Haohao Zhu, Rui You, Linlin Sun Yat-Sen University School of Intelligent Systems Engineering Shenzhen China Institute of High Performance Computing Agency for Science Technology and Research Systems Science Department Singapore

ISBN: (纸本)9798350346558

The fast-growing number of electric vehicles has resulted in a variety of charging-related issues, such as the shortage of public charging piles, the inconvenience of finding available charging piles, the additional traffic congestion caused by unnecessary cruising to search for available charging piles, etc. Since only constructing new charging piles may not significantly improve the charging efficiency, methods of predicting charging station occupancy are widely discussed as an effective means to address these issues. However, several challenges are encountered in training an efficient and effective model by utilizing distributed data, improving convergence speed, and enhancing model generalization ability. To address these issues, this paper proposes a novel mechanism, named TWAFR-GRU, which integrates Temporally Weighted Asynchronous Federated Learning (TWAFL) with Reptile and Gated Recurrent Unit (GRU). As shown by the holistic evaluation based on the charging station occupancy dataset, compared with other state-of-the-art baselines, TWAFR-GRU can 1) decrease MAE, RMSE and RAE by 19%, 15% and 17% separately and improve R2, by 67%;2) cut rounds for the model to converge by 75%;3) save training time by 44%;and 4) reduce 17% in forecasting error after the personalization of the initial model to serve a specific charging station. © 2022 IEEE.

关键词： Piles

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Generative Methods for Out-of-distribution Prediction and Applications for Threat Detection and Analysis: A Short Review 1st

Generative Methods for Out-of-distribution Prediction and Ap...

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1st International Workshop on Digital Sovereignty in Cyber Security: New Challenges in Future Vision, CyberSec4Europe 2022

作者： Coppolillo, Erica Liguori, Angelica Guarascio, Massimo Pisani, Francesco Sergio Manco, Giuseppe Department of Mathematics and Computer Science University of Calabria Rende Italy Department of Computer Engineering Modeling Electronics an d Systems University of Calabria Rende Italy Institute for High Performance Computing and Networking of Italian National Research Council Rende Italy

ISBN: (纸本)9783031360954

In recent times, Machine Learning has played an important role in developing novel advanced tools for threat detection and mitigation. Intrusion Detection, Misinformation, Malware, and Fraud Detection are just some examples of cybersecurity fields in which Machine Learning techniques are used to reveal the presence of malicious behaviors. However, Out-of-Distribution, i.e., the potential distribution gap between training and test set, can heavily affect the performances of the traditional Machine Learning based methods. Indeed, they could fail in identifying out-of-samples as possible threats, therefore devising robust approaches to cope with this issue is a crucial and relevant challenge to mitigate the risk of undetected attacks. Moreover, a recent emerging line proposes to use generative models to yield synthetic likely examples to feed the learning algorithms. In this work, we first survey recent Machine Learning and Deep Learning based solutions to face both the problems, i.e., outlier detection and generation;then we illustrate the main cybersecurity application scenarios in which these approaches have been adopted successfully. © The Author(s), under exclusive license to Springer Nature Switzerland AG 2023.

关键词： Learning systems

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Exploring Hierarchical Molecular Graph Representation in Multimodal LLMs

arXiv

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arXiv 2024年

作者： Hu, Chengxin Li, Hao Yuan, Yihe Li, Jing Tsang, Ivor National University of Singapore Singapore Institute of High-Performance Computing Agency for Science Technology and Research Singapore Centre for Frontier AI Research Agency for Science Technology and Research Singapore College of Computing and Data Science Nanyang Technological University Singapore

Following the milestones in large language models (LLMs) and multimodal models, we have seen a surge in applying LLMs to biochemical tasks. Leveraging graph features and molecular text representations, LLMs can tackle various tasks, such as predicting chemical reaction outcomes and describing molecular properties. However, most current work overlooks the multi-level nature of the graph modality, even though different chemistry tasks may benefit from different feature levels. In this work, we first study the effect of feature granularity and reveal that even reducing all GNN-generated feature tokens to a single one does not significantly impact model performance. We then investigate the effect of various graph feature levels and demonstrate that both the quality of LLM-generated molecules and model performance across different tasks depend on different graph feature levels. Therefore, we conclude with two key insights: (1) current molecular-related multimodal LLMs lack a comprehensive understanding of graph features, and (2) static processing is not sufficient for hierarchical graph feature. We share our findings in detail, with the hope of paving the way for the community to develop more advanced multimodal LLMs for incorporating molecular graphs. Copyright © 2024, The Authors. All rights reserved.

关键词： Molecular graphics

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Efficient acne classification based on Resnet18 3

Efficient acne classification based on Resnet18

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3rd International Conference on Algorithms, Network, and Communication Technology, ICANCT 2024

作者： Cheng, Shi Sun, Mingze Huang, Zhongyi Wang, Yushan Fu, Jiaxuan School of Engineering University of Manchester ManchesterM13 9PL United Kingdom School of Computing Science University of Glasgow GlasgowG12 8RZ United Kingdom School of Data Science and Big Data Nanjing Institute of Technology Nanjing210000 China The Affiliated High School Renmin University of China Beijing100083 China International Department Nanjing Jinling High School Nanjing21000 China

ISBN: (数字)9781510688902

ISBN: (纸本)9781510688896

In this study, we investigated the mechanical performance of lightweight composite slabs, specifically focusing on the application of an integrated face recognition and acne classification pipeline. We propose a comprehensive approach that commences with facial detection, proceeds to the acne region localization, and concludes with acne classification utilizing ResNet18 architecture. The aim is to develop a highly accurate and efficient system for acne classification, particularly beneficial for remote patients or those seeking a convenient self-assessment tool. Our dataset, though limited in size and diversity, is iteratively refined and augmented to mitigate data scarcity issues. Through experimental evaluations, we demonstrate that the combination of ResNet18 and Support Vector Machine (SVM) achieves an accuracy rate of 96%, significantly outperforming traditional manual feature extraction methods. Additionally, visualization techniques such as Principal Component Analysis (PCA) and t-Distributed Stochastic Neighbor Embedding (t-SNE) are employed to gain insights into the data distribution and the effectiveness of automatically extracted features. This study highlights the potential of deep learning for acne detection and underscores the importance of dataset refinement for enhancing model performance. © 2025 SPIE.

关键词： Support vector machines

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Sentiment Analysis on Climate Change for Sustainable Investment

Sentiment Analysis on Climate Change for Sustainable Investm...

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IEEE International Conference on data Mining Workshops (ICDM Workshops)

作者： Keane Ong Rui Mao Deeksha Varshney Ranjan Satapathy Erik Cambria Gianmarco Mengaldo Asian Institute of Digital Finance National University of Singapore College of Computing and Data Science Nanyang Technological University College of Design & Engineering National University of Singapore Institute of High Performance Computing Agency for Science Technology and Research

ISBN: (数字)9798331530631

ISBN: (纸本)9798331530648

This research involves examining whether sentiment on climate change can be accounted as a systematic risk factor within sustainable finance. Tweets related to climate change from 2014-2022 are collected via the Twitter API. RoBERTa is then deployed to label the collected tweets according to sentiment polarity. Thereafter, DistilBERT is utilised to classify tweets according to their different climate change topics Aggregated, Impact, Politics & Policy, Mitigation, Rootcause. Using these sentiment and topic labels, monthly sentiment scores are aggregated from the frequency of sentiment polarity (number of positive, and negative tweets), and segmented according to the topics that the tweets are classified under. On the other hand, we collect the monthly returns of various green ETFs, alongside ETFs that contain stocks from other sectors (technology, oil and gas), as well as 2 baskets of stocks (sustainable and heavy-polluting). We run Fama-French regressions by conducting time series regression of monthly returns on the traditional 3 factors, with specific addition of sentiment scores.

关键词： Climate change Investment Sustainable development Sentiment analysis Social networking (online) Finance Green products Risk management

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Optimizing Indoor Farming: Deep Learning for Predicting Plant Growth under LED Light Treatments

Optimizing Indoor Farming: Deep Learning for Predicting Plan...

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Artificial Intelligence (CAI), IEEE Conference on

作者： Tanvi Verma Norman Teo Zhi Wei Fei Gao Hao Yu Ricardo Shirota Filho Institute of High Performance Computing Agency for Science Technology and Research Singapore Department of Biological Sciences National University of Singapore Singapore

ISBN: (数字)9798350354096

ISBN: (纸本)9798350354102

Indoor farming has emerged as a rapidly growing industry that harnesses controlled environmental conditions to cultivate crops. A key component of indoor farming is the utilization of LED lighting, which serves as the primary source of light for plant growth. In this study, our objective is to optimize indoor farming practices through the application of deep learning techniques, specifically by predicting the growth of plants under different LED light treatments in controlled agricultural environments. To achieve this goal, we employed existing machine learning methods and proposed a novel deep learning approach that incorporates the effects of LED light spectrum on plant growth to estimate plant biomass. Our deep learning model, BioNet, utilizes 1D convolutional neural network (CNN) to extract spatial features from the light spectrum data. Through extensive experimentation and analysis, we demonstrate that our deep learning method outperforms other conventional methods, showcasing its potential to enhance our understanding of the impact of LED light on plant *** research provides valuable insights into optimizing indoor farming by uncovering the relationship between LED light treatments and plant biomass. BioNet serves as a valuable tool for farmers, enabling informed decisions on LED light selection, leading to improved efficiency and productivity in indoor farming. This study contributes to advancing indoor farming techniques through deep learning, opening new avenues for exploration and highlighting potential improvements in the field.

关键词： Deep learning Training Biological system modeling Predictive models Light emitting diodes Feature extraction data models

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Resfusion: denoising diffusion probabilistic models for image restoration based on prior residual noise 24

Resfusion: denoising diffusion probabilistic models for imag...

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Proceedings of the 38th International Conference on Neural Information Processing Systems

作者： Zhenning Shi Haoshuai Zheng Chen Xu Changsheng Dong Bin Pan Xueshuo Xie Along He Tao Li Huazhu Fu College of Computer Science Nankai University School of Statistics and Data Science Nankai University Haihe Lab of ITAI College of Computer Science Nankai University and Haihe Lab of ITAI Institute of High Performance Computing A*STAR

ISBN: (纸本)9798331314385

Recently, research on denoising diffusion models has expanded its application to the field of image restoration. Traditional diffusion-based image restoration methods utilize degraded images as conditional input to effectively guide the reverse generation process, without modifying the original denoising diffusion process. However, since the degraded images already include low-frequency information, starting from Gaussian white noise will result in increased sampling steps. We propose Resfusion, a general framework that incorporates the residual term into the diffusion forward process, starting the reverse process directly from the noisy degraded images. The form of our inference process is consistent with the DDPM. We introduced a weighted residual noise, named resnoise, as the prediction target and explicitly provide the quantitative relationship between the residual term and the noise term in resnoise. By leveraging a smooth equivalence transformation, Resfusion determine the optimal acceleration step and maintains the integrity of existing noise schedules, unifying the training and inference processes. The experimental results demonstrate that Resfusion exhibits competitive performance on ISTD dataset, LOL dataset and Raindrop dataset with only five sampling steps. Furthermore, Resfusion can be easily applied to image generation and emerges with strong versatility. Our code and model are available at https://***/nkicsl/Resfusion.

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Combined Effect of Concept Drift and Class Imbalance on Model performance During Stream Classification

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Computers, Materials & Continua 2023年第4期75卷 1827-1845页

作者： Abdul Sattar Palli Jafreezal Jaafar Manzoor Ahmed Hashmani Heitor Murilo Gomes Aeshah Alsughayyir Abdul Rehman Gilal Department of Computer and Information Sciences Universiti Teknologi PETRONAS(UTP)Seri Iskandar32610Malaysia Centre for Research in Data Science UTPPerak32610Malaysia High Performance Cloud Computing Centre(HPC3) UTPPerak32610Malaysia School of Engineering and Computer Science Victoria University of WellingtonWellington6012New Zealand AI Institute University of Waikato WellingtonHamilton3240New Zealand Anti-Narcotics Force Ministry of Narcotics ControlIslamabad46000Pakistan College of Computer Science and Engineering Taibah UniversityMadinah42353Saudi Arabia

Every application in a smart city environment like the smart grid,health monitoring, security, and surveillance generates non-stationary datastreams. Due to such nature, the statistical properties of data changes overtime, leading to class imbalance and concept drift issues. Both these issuescause model performance degradation. Most of the current work has beenfocused on developing an ensemble strategy by training a new classifier on thelatest data to resolve the issue. These techniques suffer while training the newclassifier if the data is imbalanced. Also, the class imbalance ratio may changegreatly from one input stream to another, making the problem more *** existing solutions proposed for addressing the combined issue of classimbalance and concept drift are lacking in understating of correlation of oneproblem with the other. This work studies the association between conceptdrift and class imbalance ratio and then demonstrates how changes in classimbalance ratio along with concept drift affect the classifier’s *** analyzed the effect of both the issues on minority and majority classesindividually. To do this, we conducted experiments on benchmark datasetsusing state-of-the-art classifiers especially designed for data stream ***, recall, F1 score, and geometric mean were used to measure theperformance. Our findings show that when both class imbalance and conceptdrift problems occur together the performance can decrease up to 15%. Ourresults also show that the increase in the imbalance ratio can cause a 10% to15% decrease in the precision scores of both minority and majority *** study findings may help in designing intelligent and adaptive solutionsthat can cope with the challenges of non-stationary data streams like conceptdrift and class imbalance.

关键词： Classification data streams class imbalance concept drift class imbalance ratio

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CoChain: high Concurrency Blockchain Sharding via Consensus on Consensus 42

CoChain: High Concurrency Blockchain Sharding via Consensus ...

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42nd IEEE International Conference on Computer Communications, INFOCOM 2023

作者： Li, Mingzhe Lin, You Zhang, Jin Wang, Wei Southern University of Science and Technology Guangdong Provincial Key Laboratory of Brain-Inspired Intelligent Computation Research Institute of Trustworthy Autonomous Systems Computer Science and Engineering Department China Hong Kong University of Science and Technology Computer Science and Engineering Department Hong Kong Institute of High Performance Computing and Agency for Science Technology and Research Singapore

ISBN: (纸本)9798350334142

Sharding is an effective technique to improve the scalability of blockchain. It splits nodes into multiple groups so that they can process transactions in parallel. To achieve higher parallelism and concurrency at large scales, it is desirable to maintain a large number of small shards. However, simply configuring small shards easily results in a higher fraction of malicious nodes inside shards, causing shard corruption and compromising system security. Existing sharding techniques hence demand large shards, at the expense of limited concurrency. To address this limitation, we propose CoChain: a blockchain sharding system that can securely configure small shards for enhanced concurrency. CoChain allows some shards to be corrupted. For security, each shard is monitored by multiple other shards. The latter reach a cross-shard Consensus on the Consensus results of their monitored shard. Once a corrupted shard is found, its subsequent consensus will be taken over by another shard, hence recovering the system. Via Consensus on Consensus, CoChain allows the existence of shards with more fraction of malicious nodes ( © 2023 IEEE.

关键词： Blockchain

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