We apply machine learning on interesting interdisciplinary problems, such as molecule generation, inverse design, ocean soundscape analysis, biomedical hypothesis generation, and bioinformatics.
- Jiayuan Chen, Kehan Guo, Zhen Liu, Olexandr Isayev, Xiangliang Zhang. Uncertainty-aware Yield Prediction with Multimodal Molecular Features. The 38th AAAI Conference on Artificial Intelligence (AAAI 2024). (Acceptance rate of 23.75%, 2342/9862(reviewed), out of 12100 submission).
- Yihong Ma, Xiaobao Huang, Bozhao Nan, Nuno Moniz, Xiangliang Zhang, Olaf Wiest, Nitesh V Chawla. Are we making much progress? Revisiting chemical reaction yield prediction from an imbalanced regression perspective. Accepted by TheWebConf2024 (short paper).
- Changsheng Ma, Taicheng Guo, Qiang Yang, Xiuying Chen, Xin Gao, Shangsong Liang, Nitesh Chawla, Xiangliang Zhang. A Property-Guided Diffusion Model for Generating Molecular Graphs. IEEE ICASSP 2024.
- Taicheng Guo, Kehan Guo, Bozhao Nan, Zhenwen Liang, Zhichun Guo, Nitesh V. Chawla, Olaf Wiest, Xiangliang Zhang. What can large language models do in chemistry? A comprehensive benchmark on eight tasks. Accepted by NeurIPS 2023 Datasets and Benchmarks track. (Acceptance rate 32.7%, out of 987 submission). arXiv version
- Zhichun Guo, Kehan Guo, Bozhao Nan, Yijun Tian, Roshni Iyer, Yihong Ma, Olaf Wiest, Xiangliang Zhang, Wei Wang, Chuxu Zhang, Nitesh Chawla. Graph-based Molecular Representation Learning. The 32nd International Joint Conference on Artificial Intelligence (IJCAI-23). 19th-25th August 2023. Macao, S.A.R. (Survey) arXiv
- Hongxiao Wang; Gang Huang; Zhuo Zhao; Liang Cheng; Anna Juncker-Jensen; Máté Levente Nagy; Xin Lu; Xiangliang Zhang; Danny Z. Chen. CCF-GNN: A Unified Model Aggregating Appearance, Microenvironment, and Topology for Pathology Image Classification, in IEEE Transactions on Medical Imaging, vol. 42, no. 11, pp. 3179-3193, Nov. 2023, doi: 10.1109/TMI.2023.3249343.
- Waqas W. Ahmed, Mohamed Farhat, Kestutis Staliunas, Xiangliang Zhang, Ying Wu. Machine learning for knowledge acquisition and accelerated inverse-design for non-Hermitian systems. Nature Communications Physics. Volume 6, Article number: 2 (2023).
- Waqas Ahmed, Mohamed Farhat, Pai-Yen Chen, Xiangliang Zhang, and Ying Wu. A Generative Deep Learning Approach for Shape Recognition of Arbitrary Objects from Phaseless Acoustic. To appear in Advanced Intelligent Systems. 20 January 2023.
- A. Kaidarova, N. R. Geraldi, R. P. Wilson, J. Kosel, M. G. Meekan, V. M. Eguíluz, M. M. Hussain, A. Shamim, H. Liao, M. Srivastava, S. S. Saha, M. S. Strano, X. Zhang, B. S. Ooi, M. Holton, L. W. Hopkins, X. Jin, X. Gong, F. Quintana, A. Tovasarov, A. Tasmagambetova, and C. M. Duarte. Wearable sensors for monitoring marine environments and their inhabitants. Nature Biotechnology, 2023 Jun 26. doi: 10.1038/s41587-023-01827-3.
- Rongyu Lin, Zhiyuan Liu, Peng Han, Ronghui Lin, Yi Lu, Haicheng Cao, Xiao Tang, Chuanju Wang, Vishal Khandelwal, Xiangliang Zhang and Xiaohang Li. A machine learning study on superlattice electron blocking layer design for AlGaN deep ultraviolet light-emitting diodes using the stacked XGBoost/LightGBM algorithm. Journal of Materials Chemistry C. 2022,10, 17602-17610
- Changsheng Ma, Qiang Yang, Xin Gao, Xiangliang Zhang. DEMO: Disentangled Molecular Graph Generation via an Invertible Flow Model. A full paper by CIKM 2022.
- Chongsheng Zhang, Bin Wang, Ke Chen, Ruixing Zong, Bofeng Mo, Yi Men, George Almpanidis, Shanxiong Chen, Xiangliang Zhang. Data-Driven Oracle Bone Rejoining: A Dataset and Practical Self-Supervised Learning Scheme. KDD 2022 Applied Data Science Track. August 14-18, 2022, in Washington, DC. (Acceptance Rate: 195/753 = 26%)
- Peng Han, Peilin Zhao, Chan Lu, Junzhou Huang, Jiaxiang Wu, Shuo Shang, Bin Yao, Xiangliang Zhang. GNN-Retro: Retrosynthetic planning with Graph Neural Networks. The Thirty-Sixth AAAI Conference on Artificial Intelligence (AAAI 2022) (acceptance rate = 1349/9020 = 15%)
- Adnan Qamar, Sarah Kerdi, Najat Amin, Xiangliang Zhang, Johannes Vrouwenvelder, Noreddine Ghaffour. A deep neural networks framework for in-situ biofilm thickness detection and hydrodynamics tracing for filtration systems. Separation and Purification Technology. Volume 301, 15 November 2022.
- Changsheng Ma, Xiangliang Zhang. GF-VAE: A Flow-based Variational Autoencoder for Molecule Generation. A full paper at the CIKM 2021 conference (Acceptance rate = 271/1251 = 21.7%).
- Rongyu Lin, Peng Han, Yue Wang, Ronghui Lin, Yi Lu, Zhiyuan Liu, Xiangliang Zhang, Xiaohang Li. Low resistance asymmetric III-nitride tunnel junctions designed by machine learning. Nanomaterial. 2021, 11(10), 2466
- Duarte, Carlos M.; Chapuis, Lucille; Collin, Shaun P.; Costa, Daniel P.; Devassy, Reny P.; Eguiluz, Victor M.; Erbe, Christine; Gordon, Timothy A. C.; Halpern, Benjamin S.; Harding, Harry R.; Havlik, Michelle N.; Meekan, Mark; Merchant, Nathan D.; Miksis-Olds, Jennifer L.; Parsons, Miles; Predragovic, Milica; Radford, Andrew N.; Radford, Craig A.; Simpson, Stephen D.; Slabbekoorn, Hans; Staaterman, Erica; Van Opzeeland, Ilse C.; Winderen, Jana; Zhang, Xiangliang; Juanes, Francis. The soundscape of the Anthropocene ocean. Science. Vol 371, Issue 6529. 05 February 2021.
Underwater Noise Pollution is Disrupting Ocean Life – But We Can Fix It.
In the Media [Time Magazine] [Reuters] [Yahoo! News] [Gulf News] [BBC News]
- Waqas W. Ahmed, Mohamed Farhat, Xiangliang Zhang, Ying Wu. Deterministic and probabilistic deep learning models for inverse design of broadband acoustic cloak. Regular Article in Physical Review Research. 3 (1), 013142. 2021
- Guoxian Yu, Yeqian Yang, Yangyang Yan, Maozu Guo, Xiangliang Zhang, Jun Wang, “DeepIDA: predicting isoform-disease associations by data fusion and deep neural networks”. IEEE/ACM Transactions on Computational Biology and Bioinformatics, 2021.
- Ziying Yang, Guoxian Yu, Maozu Guo, Jiantao Yu, Xiangliang Zhang and Jun Wang. CDPath: Cooperative driver pathways discovery using integer linear programming and Markov clustering. IEEE/ACM Transactions on Computational Biology and Bioinformatics, . Jul-Aug 2021;18(4):1384-1395.
- Yingwen Zhao, Jun Wang, Maozu Guo, Xiangliang Zhang and Guoxian Yu. Cross-Species Protein Function Prediction with Asynchronous-Random Walk. IEEE/ACM Transactions on Computational Biology and Bioinformatics. Jul-Aug 2021;18(4):1439-1450.
- Uchenna Akujuobi, Jun Chen, Mohamed Elhoseiny, Michael Spranger, and Xiangliang Zhang. Temporal Positive-unlabeled Learning for Biomedical Hypothesis Generation via Risk Estimation. Neural Information Processing Systems (NeurIPS 2020). Virtual-only Conference. (Acceptance rate = 1900 /9454 = 20%).
- Uchenna Akujuobi, Michael Spranger, Sucheendra K Palaniappan, Xiangliang Zhang, “T-PAIR: Temporal Node-pair Embedding for Automatic Biomedical Hypothesis Generation”. IEEE Transactions on Knowledge and Data Engineering (TKDE), 2020 [DOI].
- Cecilia Martin, Stephen Parkes, Qiannan Zhang, Xiangliang Zhang, Matthew McCabe, Carlos M. Duarte: Use of Unmanned Aerial Vehicles for Efficient Beach Litter Monitoring. Marine Pollution Bulletin. Jun;131(Pt A):662-673, 2018