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Self-supervised probabilistic models for exploring shape memory alloys

npj Computational Materials 2024年第1期10卷 1338-1347页

作者： Yiding Wang Tianqing Li Hongxiang Zong Xiangdong Ding Songhua Xu Jun Sun Turab Lookman State Key Laboratory for Mechanical Behavior of Materials Xi’an Jiaotong UniversityXi’an710049China National Engineering Laboratory for Big Data Analytics School of Mathematics and StatisticsXi’an Jiaotong UniversityXi’an710049China AiMaterials Research LLC Santa FeNM87501USA

Recent advancements in machine learning(ML)have revolutionized the field of high-performance materials ***,developing robust ML models to decipher intricate structure-property relationships in materials remains challenging,primarily due to the limited availability of labeled datasets with well-characterized crystal *** is particularly pronounced in materials where functional properties are closely intertwined with their crystallographic *** a selfsupervised probabilistic model(SSPM)that autonomously learns unbiased atomic representations and the likelihood of compounds with given crystal structures,utilizing solely the existing crystal structure data from materials *** significantly enhances the performance of downstream ML models by efficient atomic representations and accurately captures the probabilistic relationships between composition and crystal *** showcase SSPM’s capability by discovering shapememory alloys(SMAs).Amongst the top 50 predictions,23 have been confirmed as SMAs either experimentally or theoretically,and a previously unknown SMA candidate,MgAu,has been identified.

关键词： alloys probabilistic shape

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Answering reachability queries with ordered label constraints over labeled graphs

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Frontiers of Computer Science 2024年第1期18卷 105-117页

作者： Daoliang HE Pingpeng YUAN Hai JIN National Engineering Research Center for Big Data Technology and System Services Computing Technology and System LabCluster and Grid Computing LabSchool of Computer Science&TechnologyHuazhong University of Science and TechnologyWuhan 430074China

Reachability query plays a vital role in many graph analysis *** researches proposed many methods to efficiently answer reachability queries between vertex *** many real graphs are labeled graph,it highly demands label-Constrained Reachability(LCR)query inwhich constraint includes a set of labels besides vertex *** researches proposed several methods for answering some LCR queries which require appearance of some labels specified in constraints in the *** that constraint may be a label set,query constraint may be ordered labels,namely OLCR(Ordered-label-Constrained Reachability)queries which retrieve paths matching a sequence of ***,no solutions are available for ***,we propose DHL,a novel bloom filter based indexing technique for answering OLCR *** can be used to check reachability between vertex *** the answers are not no,then constrained DFS is ***,we employ DHL followed by performing constrained DFS to answer OLCR *** show that DHL has a bounded false positive rate,and it's powerful in saving indexing time and *** experiments on 10 real-life graphs and 12 synthetic graphs demonstrate that DHL achieves about 4.8-22.5 times smaller index space and 4.6-114 times less index construction time than two state-of-art techniques for LCR queries,while achieving comparable query response *** results also show that our algorithm can answer OLCR queries effectively.

关键词： graph ordered-label-constrained reachability partial index bloom filter query processing

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MOMENTUM BENEFITS NON-IID FEDERATED LEARNING SIMPLY AND PROVABLY 12

MOMENTUM BENEFITS NON-IID FEDERATED LEARNING SIMPLY AND PROV...

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12th International Conference on Learning Representations, ICLR 2024

作者： Cheng, Ziheng Huang, Xinmeng Wu, Pengfei Yuan, Kun Peking University China University of Pennsylvania United States National Engineering Labratory for Big Data Analytics and Applications AI for Science Institute Beijing China

Federated learning is a powerful paradigm for large-scale machine learning, but it faces significant challenges due to unreliable network connections, slow communication, and substantial data heterogeneity across clients. FEDAVG and SCAFFOLD are two prominent algorithms to address these challenges. In particular, FEDAVG employs multiple local updates before communicating with a central server, while SCAFFOLD maintains a control variable on each client to compensate for "client drift" in its local updates. Various methods have been proposed to enhance the convergence of these two algorithms, but they either make impractical adjustments to the algorithmic structure or rely on the assumption of bounded data heterogeneity. This paper explores the utilization of momentum to enhance the performance of FEDAVG and SCAFFOLD. When all clients participate in the training process, we demonstrate that incorporating momentum allows FEDAVG to converge without relying on the assumption of bounded data heterogeneity even using a constant local learning rate. This is novel and fairly surprising as existing analyses for FEDAVG require bounded data heterogeneity even with diminishing local learning rates. In partial client participation, we show that momentum enables SCAFFOLD to converge provably faster without imposing any additional assumptions. Furthermore, we use momentum to develop new variance-reduced extensions of FEDAVG and SCAFFOLD, which exhibit state-of-the-art convergence rates. Our experimental results support all theoretical findings. © 2024 12th International Conference on Learning Representations, ICLR 2024. All rights reserved.

关键词： Momentum

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Renal Cell Carcinoma Detection and Subtyping with Minimal Point-Based Annotation in Whole-Slide Images 23rd

Renal Cell Carcinoma Detection and Subtyping with Minimal Po...

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23rd International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2020

作者： Gao, Zeyu Puttapirat, Pargorn Shi, Jiangbo Li, Chen School of Computer Science and Technology Xian Jiaotong University XianShaanxi710049 China National Engineering Lab for Big Data Analytics Xian Jiaotong University XianShaanxi710049 China

ISBN: (纸本)9783030597214

Cancerous region detection and subtyping in whole-slide images (WSIs) are fundamental for renal cell carcinoma (RCC) diagnosis. The main challenge in the development of automated RCC diagnostic systems is the lack of large-scale datasets with precise annotations. In this paper, we propose a framework that employs a semi-supervised learning (SSL) method to accurately detect cancerous regions with a novel annotation method called Minimal Point-Based (Min-Point) annotation. The predicted results are efficiently utilized by a hybrid loss training strategy in a classification model for subtyping. The annotator only needs to mark a few cancerous and non-cancerous points in each WSI. The experiments on three significant subtypes of RCC proved that the performance of the cancerous region detector trained with the Min-Point annotated dataset is comparable to the classifiers trained on the dataset with full cancerous region delineation. In subtyping, the proposed model outperforms the model trained with only whole-slide diagnostic labels by 12% in terms of the testing f1-score. We believe that our "detect then classify" schema combined with the Min-Point annotation would set a standard for developing intelligent systems with similar challenges. © 2020, Springer Nature Switzerland AG.

关键词： Intelligent systems

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A survey on dynamic graph processing on GPUs: concepts, terminologies and systems

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Frontiers of Computer Science 2024年第4期18卷 1-23页

作者： Hongru GAO Xiaofei LIAO Zhiyuan SHAO Kexin LI Jiajie CHEN Hai JIN National Engineering Research Center for Big Data Technology and System/Services Computing Technology and System Lab/Cluster and Grid Computing Lab School of Computer Science and TechnologyHuazhong University of Science and TechnologyWuhan 430074China Zhejiang Lab Hangzhou 311121China

Graphs that are used to model real-world entities with vertices and relationships among entities with edges,have proven to be a powerful tool for describing real-world problems in *** most real-world scenarios,entities and their relationships are subject to constant *** that record such changes are called dynamic *** recent years,the widespread application scenarios of dynamic graphs have stimulated extensive research on dynamic graph processing systems that continuously ingest graph updates and produce up-to-date graph analytics *** the scale of dynamic graphs becomes larger,higher performance requirements are demanded to dynamic graph processing *** the massive parallel processing power and high memory bandwidth,GPUs become mainstream vehicles to accelerate dynamic graph processing ***-based dynamic graph processing systems mainly address two challenges:maintaining the graph data when updates occur(i.e.,graph updating)and producing analytics results in time(i.e.,graph computing).In this paper,we survey GPU-based dynamic graph processing systems and review their methods on addressing both graph updating and graph *** comprehensively discuss existing dynamic graph processing systems on GPUs,we first introduce the terminologies of dynamic graph processing and then develop a taxonomy to describe the methods employed for graph updating and graph *** addition,we discuss the challenges and future research directions of dynamic graph processing on GPUs.

关键词： dynamic graphs graph processing graph algorithms GPUs

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ARCHER:a ReRAM-based accelerator for compressed recommendation systems

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Frontiers of Computer Science 2024年第5期18卷 147-160页

作者： Xinyang SHEN Xiaofei LIAO Long ZHENG Yu HUANG Dan CHEN Hai JIN National Engineering Research Center for Big Data Technology and System Services Computing Technology and System LabClusters and Grid Computing LabSchool of Computer Science and TechnologyHuazhong University of Science and TechnologyWuhan 430074China

Modern recommendation systems are widely used in modern data *** random and sparse embedding lookup operations are the main performance bottleneck for processing recommendation systems on traditional platforms as they induce abundant data movements between computing units and ***-based processing-in-memory(PIM)can resolve this problem by processing embedding vectors where they are ***,the embedding table can easily exceed the capacity limit of a monolithic ReRAM-based PIM chip,which induces off-chip accesses that may offset the PIM ***,we deploy the decomposed model on-chip and leverage the high computing efficiency of ReRAM to compensate for the decompression performance *** this paper,we propose ARCHER,a ReRAM-based PIM architecture that implements fully yon-chip recommendations under resource ***,we make a full analysis of the computation pattern and access pattern on the decomposed *** on the computation pattern,we unify the operations of each layer of the decomposed model in multiply-and-accumulate *** on the access observation,we propose a hierarchical mapping schema and a specialized hardware design to maximize resource *** the unified computation and mapping strategy,we can coordinatethe inter-processing elements *** evaluation shows that ARCHER outperforms the state-of-the-art GPU-based DLRM system,the state-of-the-art near-memory processing recommendation system RecNMP,and the ReRAM-based recommendation accelerator REREC by 15.79×,2.21×,and 1.21× in terms of performance and 56.06×,6.45×,and 1.71× in terms of energy savings,respectively.

关键词： recommendation system ReRAM processing-in-memory embedding layer

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Learning robust patient representations from multi-modal electronic health records: A supervised deep learning approach

Learning robust patient representations from multi-modal ele...

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2021 SIAM International Conference on data Mining, SDM 2021

作者： Zhang, Xianli Qian, Buyue Li, Yang Liu, Yang Chen, Xi Guan, Chong Li, Chen National Engineering Lab for Big Data Analytics Xi’an Jiaotong University Shaanxi Xi’an710049 China School of Electronic and Information Engineering Xi’an Jiaotong University Shaanxi Xi’an710049 China Tencent Jarvis Lab. Shenzhen China

ISBN: (纸本)9781611976700

Predicting patients’ future outcomes by analyzing Electronic health records (EHRs) is a hot topic in machine learning. The key challenge in this area is how to transform high dimensional, redundant, and heterogeneous EHRs into appropriate representations. In this paper, we argue for four desired properties of ideal patient representation learning, which are completeness, cross-modality invariance, anti-nuisance, and personality maintenance. To obtain such properties, We propose a Supervised Deep Patient Representation Learning Framework (SDPRL) to learn patients’ representations that incorporates complete semantics of health conditions by using multi-modal EHR data. Furthermore, we propose to maximize the mutual information (MI) among each pair of different modal representations, as well as minimizing the task-specific loss function. This not only keeps the task-relevant semantic information into the learned representations, but also makes the resulting representations to be relatively invariant across the modalities, anti-nuisance, and maintain the personality. With experiments conducted on the publicly available MIMIC-III dataset on the mortality prediction and forecasting the length of stay (LOS) tasks, we empirically demonstrate that the proposed SDPRL achieves higher prediction performance than baseline frameworks. Moreover, we demonstrate that SDPRL can yield the desired properties we argued. It can well-handle the modal-missing issue in the test phase, as well as getting advance to the goal of personalized medicine. © 2021 by SIAM.

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LSTM based Soft-Sensor for Estimating Nitrate Concentration in Aquaponics pond 3

LSTM based Soft-Sensor for Estimating Nitrate Concentration ...

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3rd International Conference for Innovation in Technology, INOCON 2024

作者： Dharshan, A. Kumar, Purushottam Ravimaran, S. Srinivasulu Reddy, U. Saranathan College of Engineering Department of Artificial Intelligence and Data Science Trichy India National Institute of Technology Artificial Intelligence Machine Learning & Data Analytics Lab Trichy India National Institute of Technology Department of Computer Applications Machine Learning & Data Analytics Lab Trichy India

ISBN: (纸本)9798350381931

In the field of aquaponics, where fish and plants coexist in a symbiotic environment, closely monitoring nitrate levels in the water is crucial due to their profound impact on aquatic and plant well-being. Traditional nitrate measurement methods are often time-consuming and costly. Various approaches, including first principles, IoT-based sensors, and machine learning-based soft sensors, have been attempted to address this challenge. However, these efforts face challenges such as expensive sensors, infrequent data collection, multistage data processing using limited sensor types, and the need for regular maintenance like cleaning and calibration. Additionally, varied environmental conditions affect sensor suitability for different water environments, and even some machine learning-based soft sensors have proven inaccurate. In response, soft sensors, especially deep learning-based ones, have gained prominence in industrial applications for their adaptability and accuracy. These sensors provide real-time insights into complex processes without requiring expensive hardware. In this study, an innovative solution was introduced using Long Short-Term Memory (LSTM) technology, a neural network architecture in deep learning known for capturing complex temporal patterns. LSTM is well-suited for modeling and predicting nitrate concentration changes in aquaponics, trained with extensive data collected from various aquaponic ponds. Through rigorous evaluation, a remarkable MSE value of 0.00074 and an impressive R-squared score of 0.98 were achieved, holding potential for scaling up to commercial applications, benefiting aquaponics operations, supporting researchers, and enhancing sustainability and productivity in aquaponic systems. © 2024 IEEE.

关键词： Nitrates

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Snapshot boosting: a fast ensemble framework for deep neural networks

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Science China(Information Sciences) 2020年第1期63卷 77-88页

作者： Wentao ZHANG Jiawei JIANG Yingxia SHAO Bin CUI Center for Data Science Peking University National Engineering Laboratory for Big Data Analysis and Applications Department of Computer Science Beijing Key Lab of Intelligent Telecommunications Software and Multimedia School of Computer ScienceBeijing University of Posts and Telecommunications Key Lab of High Confidence Software Technologies Department of Computer SciencePeking University

Boosting has been proven to be effective in improving the generalization of machine learning models in many fields. It is capable of getting high-diversity base learners and getting an accurate ensemble model by combining a sufficient number of weak learners. However, it is rarely used in deep learning due to the high training budget of the neural network. Another method named snapshot ensemble can significantly reduce the training budget, but it is hard to balance the tradeoff between training costs and diversity. Inspired by the ideas of snapshot ensemble and boosting, we propose a method named snapshot boosting. A series of operations are performed to get many base models with high diversity and accuracy, such as the use of the validation set, the boosting-based training framework, and the effective ensemble strategy. Last, we evaluate our method on the computer vision(CV) and the natural language processing(NLP) tasks, and the results show that snapshot boosting can get a more balanced trade-off between training expenses and ensemble accuracy than other well-known ensemble methods.

关键词： ensemble learning deep learning boosting neural network snapshot ensemble

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Differentially Private Deep Learning with Iterative Gradient Descent Optimization

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ACM/IMS Transactions on data Science 2021年第4期2卷 1–27页

作者： Ding, Xiaofeng Chen, Lin Zhou, Pan Jiang, Wenbin Jin, Hai National Engineering Research Center for Big Data Technology and System Lab Services Computing Technology and System Lab Cluster and Grid Computing Lab School of Computer Science and Technology Huazhong University of Science and Technology Wuhan430074 China Hubei Engineering Research Center on Big Data Security School of Cyber Science and Engineering Huazhong University of Science and Technology Wuhan430074 China

Deep learning has achieved great success in various areas and its success is closely linked to the availability of massive data. But in general, a large dataset could include sensitive data and therefore the model should have the capability to avoid privacy leakage. To achieve this aim, many works apply the famous privacy framework named differential privacy into deep learning to preserve privacy. In this article, we propose a novel perturbed iterative gradient descent optimization (PIGDO) algorithm and prove that this algorithm satisfies the differential privacy. Besides, we propose a modified moments accountant (MMA) method to conduct the privacy analysis and obtain a tighter bound of privacy loss compared with the original moments accountant method. A number of experiments demonstrate that our optimization algorithm can not only improve the model accuracy and training speed, but also achieve better privacy guarantees over the state-of-the-art algorithm while reaching the equivalent accuracy. We provide codes for all of our experiments in https://***/CGCL-codes/***. © 2022 Association for Computing Machinery.

关键词： Large dataset

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