Award Abstract # 2144338
CAREER: Accelerating Spatial Network Design: An Uncertainty-Driven Predict-and-Optimize Learning Framework

NSF Org: IIS
Division of Information & Intelligent Systems
Recipient: GEORGIA TECH RESEARCH CORP
Initial Amendment Date: March 29, 2022
Latest Amendment Date: May 28, 2024
Award Number: 2144338
Award Instrument: Continuing Grant
Program Manager: Raj Acharya
racharya@nsf.gov
 (703)292-7978
IIS
 Division of Information & Intelligent Systems
CSE
 Directorate for Computer and Information Science and Engineering
Start Date: May 1, 2022
End Date: April 30, 2027 (Estimated)
Total Intended Award Amount: $499,840.00
Total Awarded Amount to Date: $278,615.00
Funds Obligated to Date: FY 2022 = $68,405.00
FY 2023 = $103,769.00

FY 2024 = $106,441.00
History of Investigator:
  • Chao Zhang (Principal Investigator)
    chaozhang@gatech.edu
Recipient Sponsored Research Office: Georgia Tech Research Corporation
926 DALNEY ST NW
ATLANTA
GA  US  30318-6395
(404)894-4819
Sponsor Congressional District: 05
Primary Place of Performance: Georgia Institute of Technology
926 Dalney Street NW
Atlanta
GA  US  30332-0420
Primary Place of Performance
Congressional District:
05
Unique Entity Identifier (UEI): EMW9FC8J3HN4
Parent UEI: EMW9FC8J3HN4
NSF Program(s): Info Integration & Informatics
Primary Program Source: 010V2122DB R&RA ARP Act DEFC V
01002627DB NSF RESEARCH & RELATED ACTIVIT

01002526DB NSF RESEARCH & RELATED ACTIVIT

01002425DB NSF RESEARCH & RELATED ACTIVIT

01002324DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 1045, 7364, 102Z
Program Element Code(s): 736400
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.070

ABSTRACT

This award is funded in whole or in part under the American Rescue Plan Act of 2021 (Public Law 117-2).

Spatial networks are ubiquitous in nature and human society, examples include traffic networks, power grids, food supply networks, and molecular systems. The structures and configurations of spatial networks determine important properties of the respective spatial systems. Spatial network design, the problem of designing spatial network structures and configurations for desired outcomes, is thus in pressing need across many domains. This project will develop a data-driven framework that can achieve fast and resilient spatial network design. The uniqueness of the project is that it tightly integrates predictive models into optimization algorithms for fast spatial network design, while accounting for the inherent system uncertainty. The project will help address many pressing societal challenges, such as optimizing a traffic network to mitigate congestion, distributing vaccines over the human mobility network to contain disease spread, and synthesizing new molecules that lead to environment-friendly materials.

Technically, this project will develop a "predict-and-optimize" learning framework to achieve fast and resilient spatial network design. It will address three key challenges to this end. First, it will develop uncertainty-aware deep predictive models for spatial networks by modeling complex spatiotemporal dependencies while capturing the inherent uncertainty of the system. Second, it will integrate uncertainty-aware predictive models into optimization and generation algorithms, to effectively search the vast design space. Third, it will address the data scarcity issue in spatial network design by leveraging uncertainty for interactive data collection and label-efficient learning. The developed tools will be open-sourced and disseminated for spatial network design problems in various domains. Finally, this project will train the next generation of students and workforce and also promote diversity in data science education.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Cheung, Jerry_Junyang and Zhuang, Yuchen and Li, Yinghao and Shetty, Pranav and Zhao, Wantian and Grampurohit, Sanjeev and Ramprasad, Rampi and Zhang, Chao "POLYIE: A Dataset of Information Extraction from Polymer Material Scientific Literature" , 2024 Citation Details
Feng, Rui and Luo, Chen and Yin, Qingyu and Yin, Bing and Zhao, Tuo and Zhang, Chao "CERES: Pretraining of Graph-Conditioned Transformer for Semi-Structured Session Data" Proceedings of the 2022 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies , 2022 https://doi.org/10.18653/v1/2022.naacl-main.16 Citation Details
Kong, Lingkai and Cui, Jiaming and Zhuang, Yuchen and Feng, Rui and Prakash, B. Aditya and Zhang, Chao "End-To-End Stochastic Optimization With Energy-Based Model" Proceedings of the Annual Conference on Neural Information Processing Systems , 2022 Citation Details
Kong, Lingkai and Du, Yuanqi and Mu, Wenhao and Neklyudov, Kirill and De_Bortoli, Valentin and Wu, Dongxia and Wang, Haorui and Ferber, Aaron M and Ma, Yian and Gomes, Carla_P and Zhang, Chao "Diffusion Models as Constrained Samplers for Optimization with Unknown Constraints" Proceedings of Machine Learning Research , 2025 Citation Details
Kong, Lingkai and Sun, Haotian and Zhuang, Yuchen and Wang, Haorui and Zhang, Chao "Two Birds with One Stone: Enhancing Calibration and Interpretability with Graph Functional Neural Process" Proceedings of Machine Learning Research , 2024 Citation Details
Li, Yinghao and Song, Le and Zhang, Chao "Sparse Conditional Hidden Markov Model for Weakly Supervised Named Entity Recognition" Proceedings of the 28th ACM SIGKDD Conference on Knowledge Discovery and Data , 2022 https://doi.org/10.1145/3534678.3539247 Citation Details
Wang, Haorui and Skreta, Marta and Ser, Cher_Tian and Gao, Wenhao and Kong, Lingkai and Strieth-Kalthoff, Felix and Duan, Chenru and Zhuang, Yuchen and Yu, Yue and Zhu, Yanqiao and Du, Yuanqi and Aspuru-Guzik, Alan and Neklyudov, Kirill and Zhang, Chao "Efficient Evolutionary Search Over Chemical Space with Large Language Models" , 2025 Citation Details
Yu, Yue and Kong, Lingkai and Zhang, Jieyu and Zhang, Rongzhi and Zhang, Chao "AcTune: Uncertainty-Based Active Self-Training for Active Fine-Tuning of Pretrained Language Models" Proceedings of the 2022 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies , 2022 https://doi.org/10.18653/v1/2022.naacl-main.102 Citation Details

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