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JARVIS-Leaderboard:a large scale benchmark of materials design methods

npj Computational Materials 2024年第1期10卷 2280-2296页

作者： Kamal Choudhary Daniel Wines Kangming Li Kevin F.Garrity Vishu Gupta Aldo H.Romero Jaron T.Krogel Kayahan Saritas Addis Fuhr Panchapakesan Ganesh Paul R.C.Kent Keqiang Yan Yuchao Lin Shuiwang Ji Ben Blaiszik Patrick Reiser Pascal Friederich Ankit Agrawal Pratyush Tiwary Eric Beyerle Peter Minch Trevor David Rhone Ichiro Takeuchi Robert B.Wexler Arun Mannodi-Kanakkithodi Elif Ertekin Avanish Mishra Nithin Mathew Mitchell Wood Andrew Dale Rohskopf Jason Hattrick-Simpers Shih-Han Wang Luke E.K.Achenie Hongliang Xin Maureen Williams Adam J.Biacchi Francesca Tavazza Material Measurement Laboratory National Institute of Standards and TechnologyGaithersburgMD20899USA Department of Materials Science and Engineering University of Toronto27 King’s College CirTorontoONCanada Department of Electrical and Computer Engineering Northwestern UniversityEvanstonIL 60208USA Lewis-Sigler Institute for Integrative Genomics Princeton UniversityPrincetonNJ 08544USA Ludwig Institute for Cancer Research Princeton UniversityPrincetonNJ 08544USA Department of Physics and Astronomy West Virginia UniversityMorgantownWV 26506USA Materials Science and Technology Division Oak Ridge National LaboratoryOak RidgeTN 37831USA Center for Nanophase Materials Science Oak Ridge National LaboratoryOak RidgeTN 37831USA Computational Sciences and Engineering Division Oak Ridge National LaboratoryOak RidgeTN 37831USA Department of Computer Science and Engineering Texas A&M UniversityCollege StationTX 77843USA Globus University of ChicagoChicagoIL 60637USA Data Science and Learning Division Argonne National LabLemontIL 60439USA Institute of Nanotechnology Karlsruhe Institute of TechnologyKaiserstraße 1276131 KarlsruheGermany Institute of Theoretical Informatics Karlsruhe Institute of TechnologyKaiserstraße 1276131 KarlsruheGermany Department of Chemistry and Biochemistry and Institute for Physical Science and Technology University of MarylandCollege ParkMD 20742USA Department of Physics Applied Physics and AstronomyRensselaer Polytechnic InstituteTroyNY12180USA Department of Materials Science and Engineering University of MarylandCollege ParkMD20742USA Department of Chemistry and Institute of Materials Science and Engineering Washington University in St.LouisSt.LouisMO63130USA School of Materials Engineering Purdue UniversityWest LafayetteIN47907USA Department of Mechanical Science and Engineering University of Illinois Urbana-ChampaignUrbanaIllinois 61801USA Materials Research Laboratory University of Illinois Urbana-ChampaignUrbanaIL 61801USA Theore

Lack of rigorous reproducibility and validation are significant hurdles for scientific development across many *** science,in particular,encompasses a variety of experimental and theoretical approaches that require careful *** efforts have been developed previously to mitigate these ***,a comprehensive comparison and benchmarking on an integrated platform with multiple data modalities with perfect and defect materials data is still *** work introduces JARVIS-Leaderboard,an open-source and community-driven platform that facilitates benchmarking and enhances *** platform allows users to set up benchmarks with customtasks and enables contributions in the form of dataset,code,and meta-data *** cover the following materials design categories:Artificial Intelligence(AI),Electronic Structure(ES).

关键词： rigorous perfect enable

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A data-Centric Accelerator for High-Performance Hypergraph Processing 22

A Data-Centric Accelerator for High-Performance Hypergraph P...

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Proceedings of the 55th Annual IEEE/ACM International Symposium on Microarchitecture

作者： Qinggang Wang Long Zheng Ao Hu Yu Huang Pengcheng Yao Chuangyi Gui Xiaofei Liao Hai Jin Jingling Xue 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 Technology Huazhong University of Science and Technology Wuhan China and Zhejiang Lab Hangzhou China 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 Technology Huazhong University of Science and Technology Wuhan China School of Computer Science and Engineering University of New South Wales Sydney NSW Australia

ISBN: (纸本)9781665462723

Hypergraph processing has emerged as a powerful approach for analyzing complex multilateral relationships among multiple entities. Past research on building hypergraph systems suggests that changing the scheduling order of bipartite edge tasks can improve the overlap-induced data locality in hypergraph processing. However, due to the complex intertwined connections between vertices and hyperedges, it is almost impossible to find a locality-optimal scheduling order. Thus, these task-centric hypergraph systems often suffer from substantial off-chip *** this paper, we first propose a novel data-centric Load-Trigger-Reduce (LTR) execution model to exploit fully the locality in hypergraph processing. Unlike a task-centric model that loads the required data along with a task, our LTR model invokes tasks as per the data used. Specifically, once the hypergraph data is loaded into the on-chip memory, all of its relevant computation tasks will be triggered simultaneously to output intermediate results, which are finally reduced to update the final results. Our LTR model enables all hypergraph data to be accessed once in each iteration. To fully exploit the LTR performance potential, we further architect an LTR-driven hypergraph accelerator, XuLin, which features with an adaptive data loading mechanism to minimize the loading cost via chunk merging at runtime. XuLin is also equipped with a priority-based differential data reduction scheme to reduce the impact of conflicting updates on performance. We have implemented XuLin both on a Xilinx Alveo U250 FPGA card and using a cycle-accurate simulator. The results show that XuLin outperforms the state-of-the-art hypergraph processing solutions Hygra and ChGraph by 20.47× and 8.77× on average, respectively.

关键词： hypergraph data-centric accelerator

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Detector Collapse: Physical-World Backdooring Object Detection to Catastrophic Overload or Blindness in Autonomous Driving

arXiv

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arXiv 2024年

作者： Zhang, Hangtao Hu, Shengshan Wang, Yichen Zhang, Leo Yu Zhou, Ziqi Wang, Xianlong Zhang, Yanjun Chen, Chao School of Cyber Science and Engineering Huazhong University of Science and Technology China School of Computer Science and Technology Huazhong University of Science and Technology China National Engineering Research Center for Big Data Technology and System Services Computing Technology and System Lab Hubei Engineering Research Center on Big Data Security China Hubei Key Laboratory of Distributed System Security China Cluster and Grid Computing Lab China School of Information and Communication Technology Griffith University Australia University of Technology Sydney Australia RMIT University Australia

Object detection tasks, crucial in safety-critical systems like autonomous driving, focus on pinpointing object locations. These detectors are known to be susceptible to backdoor attacks. However, existing backdoor techniques have primarily been adapted from classification tasks, overlooking deeper vulnerabilities specific to object detection. This paper is dedicated to bridging this gap by introducing Detector Collapse (DC), a brand-new backdoor attack paradigm tailored for object detection. DC is designed to instantly incapacitate detectors (i.e., severely impairing detector's performance and culminating in a denial-of-service). To this end, we develop two innovative attack schemes: SPONGE for triggering widespread misidentifications and BLINDING for rendering objects invisible. Remarkably, we introduce a novel poisoning strategy exploiting natural objects, enabling DC to act as a practical backdoor in real-world environments. Our experiments on different detectors across several benchmarks show a significant improvement (∼10%-60% absolute and ∼2-7× relative) in attack efficacy over state-of-the-art attacks. Copyright © 2024, The Authors. All rights reserved.

关键词： Denial-of-service attack

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Rethinking Few-Shot Class-Incremental Learning: A Lazy Learning Baseline

SSRN

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SSRN 2023年

作者： Qin, Zhili Han, Wei Liu, Jiaming Zhang, Rui Sun, Zejun Shao, Junming Yang, Qinli Data Mining Lab School of Computer Science and Engineering University of Electronic Science and Technology of China Chengdu China University of Electronic Science and Technology of China Quzhou China School of Information Engineering Pingdingshan University Henan Pingdingshan China

Few-shot class-incremental learning (FSCIL) is a step forward in the realm of incremental learning, catering to a more realistic context. In typical incremental learning scenarios, the initial session possesses ample data for effective training. However, subsequent sessions often lack sufficient data, leading the model to face simultaneously with the challenges of catastrophic forgetting in incremental learning and overfitting in few-shot learning. Existing methods employ complex methods to maintain a balance of plasticity and stability. In this study, we break this balance and design a lazy learning baseline (LLB) that is more biased towards stability: pre-training a feature extractor with initial session data and fine-tuning a cosine classifier. For new sessions, we skip further training, using class prototypes for classification. Experiments across CIFAR100, miniImageNet, and CUB200 benchmarks reveal our approach outperforms state-of-the-art methods. Furthermore, we analyzed the shortcomings of existing indicators according to the experimental results, and proposed a new indicator to describe the performance of the methods more accurately. © 2023, The Authors. All rights reserved.

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Microstate analysis of GABAB and mGluR Mediated Modulation of Calcium Spiking in Hippocampal Neurons

Microstate analysis of GABAB and mGluR Mediated Modulation o...

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International IEEE/EMBS Conference on Neural engineering, CNE

作者： Dipanjan Sehanobish Vaibhav Dhyani Suman Gare Kishalay Mitra Lopamudra Giri Department of Chemical Engineering Bioimaging and Data Analysis Lab Indian Institute of Technology Hyderabad Sangareddy Telangana India Optical Science Centre Faculty of Science Engineering Technology Swinburne University of Technology Melbourne Australia

Drug discovery for CNS disorders is a uniquely challenging endeavor, where calcium $(\text{Ca}^{2+})$ imaging is being actively studied to evaluate the effect of GPCR-targeting drugs in vivo and in vitro. However, the quantification of drug efficacy and targetting corresponding to drug dose and drug type remains challenging. The heterogeneity in the population behavior makes it difficult to decipher the distributions of patterns corresponding to lower and higher drug doses. Herein, we demonstrate the quantification and visualization of $\text{Ca}^{2+}$ . imaging data using microstate analysis. This method generalizes the various states of the system at various points in time into fewer defined numbers of microstates appearing in the given data. These microstates and the pattern of their appearance helps to study complex system with a large number of spiking states. Such microstate decomposition can help us to understand and compare the spatiotemporal data. Using this approach, we have attempted to study the heterogeneity in $\text{Ca}^{2+}$ -imaging data obtained from live-cell imaging of rat hippocampal neurons. We have investigated how the nature of microstates changes with respect to drug treatment, size of cell population, and cell sparsity. This analysis can be useful in drug discovery and comparison of the efficacy of different doses of the drug.

关键词： Drugs Calcium Sociology Neurons Imaging Neural engineering Modulation

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Duo: Improving data Sharing of Stateful Serverless Applications by Efficiently Caching Multi-Read data

Duo: Improving Data Sharing of Stateful Serverless Applicati...

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International Symposium on Parallel and Distributed Processing (IPDPS)

作者： Zhuo Huang Hao Fan Chaoyi Cheng Song Wu 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 Technology Huazhong University of Science and Technology China

A growing number of applications are moving to serverless architectures for high elasticity and fine-grained billing. For stateful applications, however, the use of serverless architectures is likely to lead to significant performance degradation, as frequent data sharing between different execution stages involves time-consuming remote storage access. Current platforms leverage memory cache to speed up remote access. However, conventional caching strategies show limited performance improvement. We experimentally find that the reason is that current strategies overlook the stage-dependent access patterns of stateful serverless applications, i.e., data that are read multiple times across stages (denoted as multi-read data) are wrongly evicted by data that are read only once (denoted as read-once data), causing a high cache miss ***, we propose a new caching strategy, Duo, whose design principle is to cache multi-read data as long as possible. Specifically, Duo contains a large cache list and a small cache list, which act as Leader list and Wingman list, respectively. Leader list ignores the data that is read for the first time to prevent itself from being polluted by massive read-once data at each stage. Wingman list inspects the data that are ignored or evicted by Leader list, and pre-fetches the data that will probably be read again based on the observation that multi-read data usually appear periodically in groups. Compared to the state-of-the-art works, Duo improves hit ratio by 1.1×-2.1× and reduces the data sharing overhead by 25%-62%.

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Does Your Neural Code Completion Model Use My Code? A Membership Inference Approach

arXiv

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arXiv 2024年

作者： Wan, Yao Wan, Guanghua Zhang, Shijie Zhang, Hongyu Zhou, Pan Jin, Hai Sun, Lichao 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 Technology Huazhong University of Science and Technology Wuhan China Huazhong University of Science and Technology China University of Leigh United States

Recent years have witnessed significant progress in developing deep learning-based models for automated code completion. Examples of such models include CodeGPT and StarCoder. These models are typically trained from a large amount of source code collected from open-source communities such as GitHub. Although using source code in GitHub has been a common practice for training deep-learning-based models for code completion, it may induce some legal and ethical issues such as copyright infringement. In this paper, we investigate the legal and ethical issues of current neural code completion models by answering the following question: Is my code used to train your neural code completion model? To this end, we tailor a membership inference approach (termed CodeMI) that was originally crafted for classification tasks to a more challenging task of code completion. In particular, since the target code completion models perform as opaque black boxes, preventing access to their training data and parameters, we opt to train multiple shadow models to mimic their behavior. The acquired posteriors from these shadow models are subsequently employed to train a membership classifier. Subsequently, the membership classifier can be effectively employed to deduce the membership status of a given code sample based on the output of a target code completion model. We comprehensively evaluate the effectiveness of this adapted approach across a diverse array of neural code completion models, (i.e., LSTM-based, CodeGPT, CodeGen, and StarCoder). Experimental results reveal that the LSTM-based and CodeGPT models suffer the membership leakage issue, which can be easily detected by our proposed membership inference approach with an accuracy of 0.842, and 0.730, respectively. Interestingly, our experiments also show that the data membership of current large language models of code, e.g., CodeGen and StarCoder, is difficult to detect, leaving amper space for further improvement. Finally, we also t

关键词： Deep learning

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RBDQ: A Reliable LLM-based Text-to-SQL System for Business data Queries 25

RBDQ: A Reliable LLM-based Text-to-SQL System for Business D...

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Companion Proceedings of the ACM on Web Conference 2025

作者： Fenglin Bi Dongdong Cao Zhiyu Wang Yang Chen Fangliang Zhao Tao Hu Zhi Li Yanbin Zhang Wei Wang School of Data Science and Engineering East China Normal University Shanghai China ByteDance Inc Shanghai China School of Computer Science Fudan University Shanghai China and Shanghai Key Lab of Intelligent Information Processing Shanghai China

ISBN: (纸本)9798400713316

Using large language models (LLMs) to convert natural language (NL) into SQL simplifies data access for users by allowing them to use everyday language. However, business departments often distrust LLM-based text-to-SQL systems due to the probabilistic nature of SQL generation, which can result in incorrect but executable SQL queries caused by model hallucinations. This leads to significant concerns regarding the accuracy and reliability of the queried data. In this paper, we present RBDQ, a novel LLM-based text-to-SQL system designed to address the unique challenges of business data queries. RBDQ innovatively introduces the Hierarchical Metrics Query Method and integrates advanced Retrieval-Augmented Generation (RAG) methods along with a self-reflection mechanism to tackle these challenges. RBDQ effectively meets the requirements of business metric queries in real-world scenarios. Currently implemented in the Quality Assurance department at ByteDance, RBDQ has significantly improved operational efficiency and query flexibility. Our experiments demonstrate the system's effectiveness, achieving an Execution Accuracy of 96.20%.

关键词： business data queries

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ECLIPSE: Expunging Clean-label Indiscriminate Poisons via Sparse Diffusion Purification

arXiv

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arXiv 2024年

作者： Wang, Xianlong Hu, Shengshan Zhang, Yechao Zhou, Ziqi Zhang, Leo Yu Xu, Peng Wan, Wei Jin, Hai National Engineering Research Center for Big Data Technology and System China Services Computing Technology and System Lab China Cluster and Grid Computing Lab China Hubei Engineering Research Center on Big Data Security China Hubei Key Laboratory of Distributed System Security China School of Cyber Science and Engineering Huazhong University of Science and Technology Wuhan430074 China School of Computer Science and Technology Huazhong University of Science and Technology Wuhan430074 China School of Information and Communication Technology Griffith University SouthportQLD4215 Australia

Clean-label indiscriminate poisoning attacks add invisible perturbations to correctly labeled training images, thus dramatically reducing the generalization capability of the victim models. Recently, defense mechanisms such as adversarial training, image transformation techniques, and image purification have been proposed. However, these schemes are either susceptible to adaptive attacks, built on unrealistic assumptions, or only effective against specific poison types, limiting their universal applicability. In this research, we propose a more universally effective, practical, and robust defense scheme called ECLIPSE. We first investigate the impact of Gaussian noise on the poisons and theoretically prove that any kind of poison will be largely assimilated when imposing sufficient random noise. In light of this, we assume the victim has access to an extremely limited number of clean images (a more practical scene) and subsequently enlarge this sparse set for training a denoising probabilistic model (a universal denoising tool). We then introduce Gaussian noise to absorb the poisons and apply the model for denoising, resulting in a roughly purified dataset. Finally, to address the trade-off of the inconsistency in the assimilation sensitivity of different poisons by Gaussian noise, we propose a lightweight corruption compensation module to effectively eliminate residual poisons, providing a more universal defense approach. Extensive experiments demonstrate that our defense approach outperforms 10 state-of-the-art defenses. We also propose an adaptive attack against ECLIPSE and verify the robustness of our defense scheme. Our code is available at https://***/CGCL-codes/ECLIPSE. Copyright © 2024, The Authors. All rights reserved.

关键词： Deep neural networks

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PhysORD: A Neuro-Symbolic Approach for Physics-infused Motion Prediction in Off-road Driving

PhysORD: A Neuro-Symbolic Approach for Physics-infused Motio...

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IEEE/RSJ International Conference on Intelligent Robots and Systems (IROS)

作者： Zhipeng Zhao Bowen Li Yi Du Taimeng Fu Chen Wang Department of Computer Science and Engineering Spatial AI & Robotics (SAIR) Lab Institute for Artificial Intelligence and Data Science University at Buffalo Buffalo NY USA Robotics Institute Carnegie Mellon University Pittsburgh PA USA

ISBN: (数字)9798350377705

ISBN: (纸本)9798350377712

Motion prediction is critical for autonomous off-road driving, however, it presents significantly more challenges than on-road driving because of the complex interaction between the vehicle and the terrain. Traditional physics-based approaches encounter difficulties in accurately modeling dynamic systems and external disturbance. In contrast, data-driven neural networks require extensive datasets and struggle with explicitly capturing the fundamental physical laws, which can easily lead to poor generalization. By merging the advantages of both methods, neuro-symbolic approaches present a promising direction. These methods embed physical laws into neural models, potentially significantly improving generalization capabilities. However, no prior works were evaluated in real-world settings for off-road driving. To bridge this gap, we present PhysORD, a neural-symbolic approach integrating the conservation law, i.e., the Euler-Lagrange equation, into data-driven neural models for motion prediction in off-road driving. Our experiments showed that PhysORD can accurately predict vehicle motion and tolerate external disturbance by modeling uncertainties. It outperforms existing methods both in accuracy and efficiency and demonstrates data-efficient learning and generalization ability in long-term prediction.

关键词： Bridges Uncertainty Accuracy Neural networks Merging Predictive models Mathematical models Dynamical systems Intelligent robots

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