1 code implementation • 30 Jan 2024 • Weijia Zhang, Jindong Han, Zhao Xu, Hang Ni, Hao liu, Hui Xiong
Machine learning techniques are now integral to the advancement of intelligent urban services, playing a crucial role in elevating the efficiency, sustainability, and livability of urban environments.
1 code implementation • 26 Dec 2023 • Siqi Lai, Zhao Xu, Weijia Zhang, Hao liu, Hui Xiong
Traffic Signal Control (TSC) is a crucial component in urban traffic management, aiming to optimize road network efficiency and reduce congestion.
no code implementations • 28 Nov 2023 • Jiaqi Ruan, Xiangrui Meng, Yifan Zhu, Gaoqi Liang, Xianzhuo Sun, Huayi Wu, Huijuan Xiao, Mengqian Lu, Pin Gao, Jiapeng Li, Wai-kin Wong, Zhao Xu, Junhua Zhao
Modern society's reliance on power systems is at risk from the escalating effects of wind-related climate change.
no code implementations • 22 Nov 2023 • Jiaqi Ruan, Gaoqi Liang, Huan Zhao, Guolong Liu, Xianzhuo Sun, Jing Qiu, Zhao Xu, Fushuan Wen, Zhao Yang Dong
Applying large language models (LLMs) to modern power systems presents a promising avenue for enhancing decision-making and operational efficiency.
no code implementations • 9 Aug 2023 • Yunfeng Zhao, Xu Yan, Xiaoqiang Gui, Shuguang Han, Xiang-Rong Sheng, Guoxian Yu, Jufeng Chen, Zhao Xu, Bo Zheng
Furthermore, there is delayed feedback in both conversion and refund events and they are sequentially dependent, named cascade delayed feedback (CDF), which significantly harms data freshness for model training.
1 code implementation • 17 Jul 2023 • Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo, Cong Fu, Yaochen Xie, Meng Liu, Yuchao Lin, Zhao Xu, Keqiang Yan, Keir Adams, Maurice Weiler, Xiner Li, Tianfan Fu, Yucheng Wang, Haiyang Yu, Yuqing Xie, Xiang Fu, Alex Strasser, Shenglong Xu, Yi Liu, Yuanqi Du, Alexandra Saxton, Hongyi Ling, Hannah Lawrence, Hannes Stärk, Shurui Gui, Carl Edwards, Nicholas Gao, Adriana Ladera, Tailin Wu, Elyssa F. Hofgard, Aria Mansouri Tehrani, Rui Wang, Ameya Daigavane, Montgomery Bohde, Jerry Kurtin, Qian Huang, Tuong Phung, Minkai Xu, Chaitanya K. Joshi, Simon V. Mathis, Kamyar Azizzadenesheli, Ada Fang, Alán Aspuru-Guzik, Erik Bekkers, Michael Bronstein, Marinka Zitnik, Anima Anandkumar, Stefano Ermon, Pietro Liò, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi Jaakkola, Connor W. Coley, Xiaoning Qian, Xiaofeng Qian, Tess Smidt, Shuiwang Ji
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences.
1 code implementation • 8 Jun 2023 • Haiyang Yu, Zhao Xu, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji
We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics.
no code implementations • 1 May 2023 • Zhao Xu, Yaochen Xie, Youzhi Luo, Xuan Zhang, Xinyi Xu, Meng Liu, Kaleb Dickerson, Cheng Deng, Maho Nakata, Shuiwang Ji
Here, we propose a novel deep learning framework to predict 3D geometries from molecular graphs.
no code implementations • 3 Apr 2023 • Zhao Xu, Carolin Lawrence, Ammar Shaker, Raman Siarheyeu
To address these issues, we propose a Bayesian uncertainty propagation (BUP) method, which embeds GNNs in a Bayesian modeling framework, and models predictive uncertainty of node classification with Bayesian confidence of predictive probability and uncertainty of messages.
no code implementations • 3 Apr 2023 • Zhao Xu, Daniel Onoro Rubio, Giuseppe Serra, Mathias Niepert
The resulting sparsity of a representation is not fixed, but fits to the observation itself under the pre-defined restriction.
no code implementations • 26 Feb 2023 • Zhengyang Zhang, Han Fang, Zhao Xu, Jiajie Lv, Yao Shen, Yanming Wang
Composite materials with 3D architectures are desirable in a variety of applications for the capability of tailoring their properties to meet multiple functional requirements.
1 code implementation • 9 Feb 2023 • Shengchao Liu, Yanjing Li, Zhuoxinran Li, Anthony Gitter, Yutao Zhu, Jiarui Lu, Zhao Xu, Weili Nie, Arvind Ramanathan, Chaowei Xiao, Jian Tang, Hongyu Guo, Anima Anandkumar
Current AI-assisted protein design mainly utilizes protein sequential and structural information.
no code implementations • 10 Jul 2022 • Bhushan Kotnis, Kiril Gashteovski, Julia Gastinger, Giuseppe Serra, Francesco Alesiani, Timo Sztyler, Ammar Shaker, Na Gong, Carolin Lawrence, Zhao Xu
With Human-Centric Research (HCR) we can steer research activities so that the research outcome is beneficial for human stakeholders, such as end users.
no code implementations • 25 May 2022 • Sascha Saralajew, Ammar Shaker, Zhao Xu, Kiril Gashteovski, Bhushan Kotnis, Wiem Ben Rim, Jürgen Quittek, Carolin Lawrence
Inspired by the Turing test, we introduce a human-centric assessment framework where a leading domain expert accepts or rejects the solutions of an AI system and another domain expert.
no code implementations • 16 Feb 2022 • Yaochen Xie, Zhao Xu, Shuiwang Ji
Self-supervised learning (SSL) of graph neural networks is emerging as a promising way of leveraging unlabeled data.
no code implementations • 12 Jan 2022 • Gan Ruan, Leandro L. Minku, Zhao Xu, Xin Yao
However, the existing problem formulation to solve this resource allocation problem is unsuitable as it defines the capacity utility of resource in an inappropriate way and tends to cause much delay.
3 code implementations • 30 Sep 2021 • Zhao Xu, Youzhi Luo, Xuan Zhang, Xinyi Xu, Yaochen Xie, Meng Liu, Kaleb Dickerson, Cheng Deng, Maho Nakata, Shuiwang Ji
Here, we propose to predict the ground-state 3D geometries from molecular graphs using machine learning methods.
Ranked #1 on 3D Geometry Prediction on Molecule3D val
1 code implementation • NeurIPS Workshop AI4Scien 2021 • Meng Liu, Cong Fu, Xuan Zhang, Limei Wang, Yaochen Xie, Hao Yuan, Youzhi Luo, Zhao Xu, Shenglong Xu, Shuiwang Ji
We employ our methods to participate in the 2021 KDD Cup on OGB Large-Scale Challenge (OGB-LSC), which aims to predict the HOMO-LUMO energy gap of molecules.
no code implementations • 18 May 2021 • Cheng Lyu, Youwei Jia, Zhao Xu
Energy management of buildings is of vital importance for the urban low-carbon transition.
1 code implementation • NeurIPS 2021 • Qi Qi, Youzhi Luo, Zhao Xu, Shuiwang Ji, Tianbao Yang
Compared with AUROC, AUPRC is a more appropriate metric for highly imbalanced datasets.
no code implementations • 10 Apr 2021 • Cheng Lyu, Youwei Jia, Zhao Xu
In this paper, a tube-based model predictive control (MPC) approach is innovatively proposed in accommodating the real-time energy management of microgrids with battery ESS.
1 code implementation • 23 Mar 2021 • Meng Liu, Youzhi Luo, Limei Wang, Yaochen Xie, Hao Yuan, Shurui Gui, Haiyang Yu, Zhao Xu, Jingtun Zhang, Yi Liu, Keqiang Yan, Haoran Liu, Cong Fu, Bora Oztekin, Xuan Zhang, Shuiwang Ji
Although there exist several libraries for deep learning on graphs, they are aiming at implementing basic operations for graph deep learning.
no code implementations • 22 Feb 2021 • Yaochen Xie, Zhao Xu, Jingtun Zhang, Zhengyang Wang, Shuiwang Ji
Our unified treatment of SSL methods for GNNs sheds light on the similarities and differences of various methods, setting the stage for developing new methods and algorithms.
1 code implementation • 2 Dec 2020 • Zhengyang Wang, Meng Liu, Youzhi Luo, Zhao Xu, Yaochen Xie, Limei Wang, Lei Cai, Qi Qi, Zhuoning Yuan, Tianbao Yang, Shuiwang Ji
Here we develop a suite of comprehensive machine learning methods and tools spanning different computational models, molecular representations, and loss functions for molecular property prediction and drug discovery.
no code implementations • 26 Dec 2016 • Tian Guo, Zhao Xu, Xin Yao, Haifeng Chen, Karl Aberer, Koichi Funaya
Time series forecasting for streaming data plays an important role in many real applications, ranging from IoT systems, cyber-networks, to industrial systems and healthcare.