Full Publications

Qiangqiang Mao, Jiayang Ren, Yixiu Wang, Chenxuanyin Zou, Jingjing Zheng, Yankai Cao. Differentiable Decision Tree via ``ReLU+Argmin'' Reformulation. Advances in Neural Information Processing Systems (NeurIPS), Spotlight Paper, 2025.

Jingjing Zheng, Wanglong Lu, Yiming Dong, Chaojie Ji, Yankai Cao, Zhouchen Lin. AdaMSS: Adaptive Multi-Subspace Approach for Parameter-Efficient Fine-Tuning. Advances in Neural Information Processing Systems (NeurIPS), 2025.

Pengcheng Guo, Yonghong Song, Boyu Wang, Yankai Cao, Jiayang Ren, Chaojie Ji, Jiahao Liu, Qi Zhang, Qiangqiang Mao. Class-Missing Semi-supervised document key information extraction via synergistic refinement estimation. Information Processing & Management, 2025.

Jiayang Ren, Ningning You, Kaixun Hua, Chaojie Ji, Yankai Cao. A Global Optimization Algorithm for K-Center Clustering of One Billion Samples. Management Science, 2025.

Sheng Han, Hong Zhu, Qishui Zhong, Kaibo Shi, Yankai Cao, Jianfeng Liu. An Edge-Based Adaptive Event-Triggered Network Transmission Scheme for Fully Distributed Power and Frequency Control of Islanded AC Microgrids. IEEE Transactions on Network and Service Management, 2025.

Liang Cao, Jianping Su, Emiio Conde, Lim C Siang, Yankai Cao, Bhushan Gopaluni. A novel automated soft sensor design tool for industrial applications based on machine learning. Control Engineering Practice 160, 106322, 2025.

Ahmed Al-Shafei, Nma Amjady, Hamidreza Zareipour, Yankai Cao. Power System Transition Planning: An Industry-Aligned Framework for Long-Term Optimization. arXiv preprint arXiv:2505.01331, 2025.

Liang Cao, Jianping Su, Jack Saddler, Yankai Cao, Yixiu Wang, Gary Lee, Lim C Siang, Yi Luo, Robert Pinchuk, Jin Li, R Bhushan Gopaluni. Machine learning for real-time green carbon dioxide tracking in refinery processes. Renewable and Sustainable Energy Reviews 213, 115417, 2025.

Liang Cao, Jingyi Wang, Jianping Su, Yi Luo, Yankai Cao, Richard D Braatz, Bhushan Gopaluni. Comprehensive Analysis on Machine Learning Approaches for Interpretable and Stable Soft Sensors. IEEE Transactions on Instrumentation and Measurement, 2025.

Chengjie Li, Jiayang Ren, Arpan Seth, Ye Zhang, Jianjiang Huang, Changyou Li, Yankai Cao. Hierarchical model predictive control for energy consumption regulation of industrial-scale circulation counter-flow paddy drying process. Energy 321, 135431, 2025.

Vijay Kumar Pediredla, Mengqi Fang, Yankai Cao, Andre Phillion, Mark Martinez, Bhushan Gopaluni. Enhanced 3D X-Ray Tomography: Deep Learning-Based Advanced Algorithms for Fiber Instance Segmentation. Deep Learning for Advanced X-Ray Detection and Imaging Applications, C1-C1, 2025.

Liang Cao, Xiaolu Ji, Yankai Cao, Bhushan Gopaluni. Adaptive process monitoring for multimode industrial processes through machine learning. IEEE Journal of Emerging and Selected Topics in Industrial Electronics, 1-9, 2025.

Liang Cao, Jianping Su, Jack Saddler, Yankai Cao, Yixiu Wang, Gary Lee, Siang Lim, Yi Luo, Robert Pinchuk, Jin Li, Bhushan Gopaluni. Green CO2 Emission Modelling with Artificial Intelligence During Co-Processing Biogenic Feedstocks. Available at SSRN 4689139, 2025.

Kumari Anshu, Jun Sian Lee, Vidyut Mohan, Kevin S Kung, Shahabaddine Sokhansanj, Yankai Cao, Sonal K Thengane. Torrefaction severity influence on the nutrient composition of biomass. Biomass Conversion and Biorefinery 14,25663-25674, 2024.

Yixiu Wang, Qiyue Luo, Liang Cao, Arpan Seth, Jianfeng Liu, Bhushan Gopaluni, Yankai Cao. Data-driven battery capacity estimation using support vector regression and model bagging under fast-charging conditions. The Canadian Journal of Chemical Engineering 102, 3322-3332, 2024.

Jingjing Zheng, Wanglong Lu, Wenzhe Wang, Yankai Cao, Xiaoqin Zhang, Xianta Jiang. Handling the non-smooth challenge in tensor svd: A multi-objective tensor recovery framework. European Conference on Computer Vision (ECCV), 449-464, 2024.

Shulei Zhang, Runda Jia, Yankai Cao, Dakuo He, Feng Yu. Stable predictive control of continuous stirred-tank reactors using deep learning. Information Sciences 678, 120970, 2024.

Chaojie Ji, JunSian Lee, Shahab Sokhansanj, Yankai Cao. Classification of Woody Biomass Images Using Neural Networks and Attention Mechanisms. Industrial & Engineering Chemistry Research 63, 14942-14952, 2024.

Jian Xu, Chaojie Ji, Yankai Cao, Ye Li, Ruxin Wang. Causality-inspired Latent Feature Augmentation for Single Domain Generalization. arXiv preprint arXiv:2406.05980, 2024.

Liang Cao, Yankai Cao, R Bhushan Gopaluni. Stable Soft Sensor Modeling for Industrial Systems. IEEE International Conference on Industrial Cyber-Physical Systems (ICPS), 2024.

Liang Cao, Jianping Su, Jack Saddler, Yankai Cao, Yixiu Wang, Gary Lee, Lim C Siang, Robert Pinchuk, Jin Li, R Bhushan Gopaluni. Real-time tracking of renewable carbon content with AI-aided approaches during co-processing of biofeedstocks. Applied Energy 360, 122815, 2024.

Morimasa Okamoto, Jiayang Ren, Qiangqiang Mao, Jianfeng Liu, Yankai Cao. Deep Learning-Based Approximation of Model Predictive Control Laws Using Mixture Networks. IEEE Transactions on Automation Science and Engineering 22, 2909-2922, 2024.

Liang Cao, Xiaolu Ji, Yankai Cao, Yi Luo, Yixiu Wang, Lim C Siang, Jin Li, R Bhushan Gopaluni. Interpretable Industrial Soft Sensor Design Based on Informer and Shap. IFAC International Symposium on Advanced Control of Chemical Processes (ADCHEM), 2024.

Yixiu Wang, Anurakt Kumar, Jiayang Ren, Pufan You, Arpan Seth, R Bhushan Gopaluni, Yankai Cao. Interpretable Data-Driven Capacity Estimation of Lithium-ion Batteries. IFAC International Symposium on Advanced Control of Chemical Processes (ADCHEM), 2024.

Jingjing Zheng, Yankai Cao. Bayesian-Driven Learning of A New Weighted Tensor Norm for Tensor Recovery. Second Tiny Papers Track at ICLR, 2024.

Yixiu Wang, Jiangong Zhu, Liang Cao, Jianfeng Liu, Pufan You, Bhushan Gopaluni, Yankai Cao. A Generalizable Method for Capacity Estimation and RUL Prediction in Lithium-Ion Batteries. Industrial & Engineering Chemistry Research 63, 345-357, 2023.

Mengqi Fang, Aurélien Sibellas, James Drummond, Yankai Cao, Andre Phillion, Mark Martinez, Vijay Kumar Pediredla, Bhushan Gopaluni. Deep learning‐based hybrid reconstruction algorithm for fibre instance segmentation from 3D x‐ray tomographic images. The Canadian Journal of Chemical Engineering 101, 6817-6826, 2023.

Yixiu Wang, Jiangong Zhu, Liang Cao, Bhushan Gopaluni, Yankai Cao. Long short-term memory network with transfer learning for lithium-ion battery capacity fade and cycle life prediction. Applied Energy 350, 121660, 2023.

Jiayang Ren, Valentin Osuna-Enciso, Morimasa Okamoto, Qiangqiang Mao, Chaojie Ji, Liang Cao, Kaixun Hua, Yankai Cao. A GPU-Accelerated Moving-Horizon Algorithm for Training Deep Classification Trees on Large Datasets. arXiv preprint arXiv:2311.06952, 2023.

Shulei Zhang, Runda Jia, Hengxin Pan, Yankai Cao. A safe reinforcement learning-based charging strategy for electric vehicles in residential microgrid. Applied Energy 348, 121490, 2023.

Mahdi Mehrtash, Benjamin F. Hobbs, Reza Mahroo, Yankai Cao. Does Choice of Power Flow Representation Matter in Transmission Expansion Optimization? A Quantitative Comparison for a Large-Scale Test System. IEEE Transactions on Industry Applications, 2023.

Huaxu Yu, Pujia Biswas, Elizabeth Rideout, Yankai Cao, Tao Huan. Bayesian optimization of separation gradients to maximize the performance of untargeted LC-MS. bioRxiv, 2023.

Jingyi Wang, Jesus Moreira, Yankai Cao, R Bhushan Gopaluni. Simultaneous digital twin identification and signal-noise decomposition through modified generalized sparse identification of nonlinear dynamics. Computers & Chemical Engineering 177, 108294, 2023.

Meng Fang, Ejaz Wattoo, Brendon Palmer, Darren Guliov, Paul Bicho, Yankai Cao, Vijay Kumar Pediredla, Bhushan Gopaluni. Real-time process operation evaluation and model reliability assessment for chemi-thermomechanical pulping process. Control Engineering Practice 138, 105598, 2023.

Jordan Watts, Adam Potter, Vidyut Mohan, Pratima Kumari, Sonal K Thengane, Shahabaddine Sokhansanj, Yankai Cao, Kevin S Kung. Proxy quality control of biomass particles using thermogravimetric analysis and Gaussian process regression models. Biofuels, Bioproducts and Biorefining 17, 1274-1289, 2023.

Jun Yong Kim, Dongjae Kim, Zezhong John Li, Claudio Dariva, Yankai Cao, Naoko Ellis. Predicting and Optimizing Syngas Production from Fluidized Bed Biomass Gasifiers: A Machine Learning Approach. Energy 263, 125900, 2023.

Morimasa Okamoto, Jiayang Ren, Qiangqiang Mao, Yankai Cao. Approximation of Nonlinear Model Predictive Control Using Mixture Density Networks. FOCAPO-CPC, 2023.

Jingyi Wang, Jesús Moreira, Yankai Cao, R Bhushan Gopaluni. Neural network and sparse identification of nonlinear dynamics integrated algorithm for digital twin identification. IFAC World Congress, 2023.

R Bhushan Gopaluni, Liang Cao, Yankai Cao. Large-scale process models using deep learning. Modelling of Chemical Process Systems, 315-336, 2023.

Liang Cao, Xiaolu Ji, Yankai Cao, Yupeng Li, Lim C Siang, Jin Li, Vijay Kumar Pediredla, R Bhushan Gopaluni. Interpretable Soft Sensors using Extremely Randomized Trees and Shap. IFAC World Congress, 2023.

Jiayang Ren, Kaixun Hua, Heather Trajano, Yankai Cao. Global Optimal Explainable Models for Biorefining. Computer Aided Chemical Engineering 52, 1339-1346, 2023.

Narinder Singh, Essam H Houssein, Seyedali Mirjalili, Yankai Cao, Ganeshsree Selvachandran. An efficient improved African vultures optimization algorithm with dimension learning hunting for traveling salesman and large-scale optimization applications. International Journal of Intelligent Systems 37, 12367-12421, 2022.

Jiayang Ren, Kaixun Hua, Yankai Cao. Global optimal k-medoids clustering of one million samples. Advances in Neural Information Processing Systems (NeurIPS) 35, 982-994, 2022.

Kaixun Hua, Jiayang Ren, Yankai Cao. A scalable deterministic global optimization algorithm for training optimal decision tree. Advances in Neural Information Processing Systems (NeurIPS) 35, 8347-8359, 2022.

Yun Li, Kaixun Hua, Yankai Cao. Using stochastic programming to train neural network approximation of nonlinear MPC laws. Automatica 146, 110665, 2022.

Ahmed Al-Shafei, Hamidreza Zareipour, Yankai Cao. High-performance and parallel computing techniques review: Applications, challenges and potentials to support net-zero transition of future grids. Energies, 2022.

Yixiu Wang, Jiangong Zhu, Liang Cao, Bhushan Gopaluni, Yankai Cao. Online capacity estimation of lithium-ion batteries by partial incremental capacity curve. IEEE Vehicle Power and Propulsion Conference, 2022.

Edward Wang, Riley Ballachay, Genpei Cai, Yankai Cao, Heather L Trajano. Predicting xylose yield from prehydrolysis of hardwoods: A machine learning approach. Frontiers in Chemical Engineering 4, 994428, 2022.

Liang Cao, Jianping Su, Yixiu Wang, Yankai Cao, Lim C Siang, Jin Li, Jack Nicholas Saddler, Bhushan Gopaluni. Causal discovery based on observational data and process knowledge in industrial processes. Industrial & Engineering Chemistry Research 61, 14272-14283, 2022.

Liang Cao, R Bhushan Gopaluni, Lim C Siang, Yankai Cao, Jin Li. Soft Sensor Change Point Detection and Root Causal Analysis. Annual Conference of the Society of Instrument and Control Engineers(SICE), 242-247, 2022.

Luo Zhao, Xinan Zhang, Yifu Chen, Xiuyan Peng, Yankai Cao. An Improved Load Forecasting Method Based on the Transfer Learning Structure under Cyber-Threat Condition. Computational Intelligence and Neuroscience 2022, 1696663, 2022.

Chengjie Li, Yifu Chen, Xuefeng Zhang, Ghazaleh Mozafari, Zhuangdong Fang, Yankai Cao, Changyou Li. Exergy analysis and optimisation of an industrial-scale circulation counter-flow paddy drying process. Energy 251, 123901, 2022.

Ahmed Al-Shafei, Hamidreza Zareipour, Yankai Cao. A review of high-performance computing and parallel techniques applied to power systems optimization. arXiv preprint arXiv:2207.02388, 2022.

Mingfei Shi, Kaixun Hua, Jiayang Ren, Yankai Cao. Global optimization of k-center clustering. International Conference on Machine Learning (ICML), Spotlight Paper, 19956-19966, 2022.

Jingyi Wang, Jesús Moreira, Yankai Cao, Bhushan Gopaluni. Time-Variant Digital Twin Modeling through the Kalman-Generalized Sparse Identification of Nonlinear Dynamics. American Control Conference (ACC), 2022.

Kevin S Kung, Sonal K Thengane, Ahmed F Ghoniem, C Jim Lim, Yankai Cao, Shahabaddine Sokhansanj. Start-up, shutdown, and transition timescale analysis in biomass reactor operations. Energy 248, 123448, 2022.

Qian Chen, Lili Zuo, Changchun Wu, Yun Li, Kaixun Hua, Mahdi Mehrtash, Yankai Cao. Optimization of compressor standby schemes for gas transmission pipeline systems based on gas delivery reliability. Reliability Engineering & System Safety 221, 108351, 2022.

Jiangong Zhu, Yixiu Wang, Yuan Huang, R Bhushan Gopaluni, Yankai Cao, Michael Heere, Martin J Mühlbauer, Liuda Mereacre, Haifeng Dai, Xinhua Liu, Anatoliy Senyshyn, Xuezhe Wei, Michael Knapp, Helmut Ehrenberg. Data-driven capacity estimation of commercial lithium-ion batteries from voltage relaxation. Nature communications 13, 2261, 2022.

Yun Li, Yixiu Wang, Yifu Chen, Yifan Lu, Kaixun Hua, Jiayang Ren, Ghazaleh Mozafari, Qiugang Lu, Yankai Cao. Deep-Learning-Based Predictive Control of Battery Management for Frequency Regulation. Industrial & Engineering Chemistry Research 61, 8432-8442, 2022.

Mahdi Mehrtash, Ghazaleh Mozafari, Kaixun Hua, Yankai Cao. Stochastic optimal device sizing model for zero energy buildings: A parallel computing solution. IEEE Transactions on Industry Applications 58, 3275-3284, 2022.

Mahdi Mehrtash, Benjamin F Hobbs, Yankai Cao. A large-scale test system for transmission expansion planning with AC networks model. IEEE Texas Power and Energy Conference (TPEC), 1-5, 2022.

Jianping Su, Liang Cao, Gary Lee, Bhushan Gopaluni, Lim C Siang, Yankai Cao, Susan Van Dyk, Robert Pinchuk, Jack Saddler. Tracking the green coke production when co-processing lipids at a commercial fluid catalytic cracker (FCC): combining isotope 14 C and causal discovery analysis. Sustainable Energy & Fuels 6(24), 5600-5607, 2022.

Jiangong Zhu, Yuan Huang, Michael Knapp, Xinhua Liu, Yixiu Wang, R Bhushan Gopaluni, Yankai Cao, Michael Heere, Martin J Mühlbauer, Liuda Mereacre, Haifeng Dai, Anatoliy Senyshyn, Xuezhe Wei, Helmut Ehrenberg. Data-driven lithium-ion battery capacity estimation from voltage relaxation. **, 2021.

Kaixun Hua, Mingfei Shi, Yankai Cao. A Scalable deterministic global optimization algorithm for clustering problems. International Conference on Machine Learning (ICML),Spotlight Paper, 4391-4401, 2021.

Nicholas Abbott, Yankai Cao, Victor Zavala Tejeda, Huaizhe Yu. Methods, systems, and media for detecting the presence of an analyte. US11037032, 2021.

Mahdi Mehrtash, Yankai Cao. A new global solver for transmission expansion planning with AC network model. IEEE Transactions on Power Systems 37, 282-293, 2021.

Qian Chen, Lili Zuo, Changchun Wu, Yankai Cao, Yaran Bu, Feng Chen, Rehan Sadiq. Supply reliability assessment of a gas pipeline network under stochastic demands. Reliability Engineering & System Safety 209, 107482, 2021.

Qian Chen, Changchun Wu, Lili Zuo, Mahdi Mehrtash, Yixiu Wang, Yaran Bu, Rehan Sadiq, Yankai Cao. Multi-objective transient peak shaving optimization of a gas pipeline system under demand uncertainty. Computers & Chemical Engineering 147, 107260, 2021.

Mahdi Mehrtash, Ghazaleh Mozafari, Yun Li, Yankai Cao. Optimal device sizing for zero energy buildings: Sensitivity of nonlinear model to uncertainties. IEEE Texas Power and Energy Conference (TPEC), 1-6, 2021.

Liang Cao, Feng Yu, Fan Yang, Yankai Cao, R Bhushan Gopaluni. Data-driven dynamic inferential sensors based on causality analysis. Control Engineering Practice 104, 104626, 2020.

Kaidi Wang, Lei Chen, Xiangyun Ma, Lina Ma, Keng C Chou, Yankai Cao, Izhar UH Khan, Greta Gölz, Xiaonan Lu. Arcobacter Identification and Species Determination Using Raman Spectroscopy Combined with Neural Networks. Applied and Environmental Microbiology 86, e00924-20, 2020.

Yankai Cao, Seong Beom Lee, Venkat R Subramanian, Victor M Zavala. Multiscale model predictive control of battery systems for frequency regulation markets using physics-based models. Journal of Process Control 90, 46-55, 2020.

Yankai Cao, Victor M Zavala. A sigmoidal approximation for chance-constrained nonlinear programs. arXiv preprint arXiv:2004.02402, 2020.

Yankai Cao, R Bhushan Gopaluni. Deep neural network approximation of nonlinear model predictive control. IFAC World Congress, 2020.

Yankai Cao, Victor M Zavala. A scalable global optimization algorithm for stochastic nonlinear programs. Journal of Global Optimization 75, 393-416, 2019.

Jordan Jalving, Yankai Cao, Victor M Zavala. Graph-based modeling and simulation of complex systems. Computers & Chemical Engineering 125, 134-154, 2019.

Javier Tovar-Facio, Yankai Cao, José M Ponce-Ortega, Victor M Zavala. A Chance-Constrained Nonlinear Programming Approach for Equipment Design Under Uncertainty. Computer Aided Chemical Engineering 46, 997-1002, 2019.

Yankai Cao, Victor M Zavala, Fernando D'Amato. Using stochastic programming and statistical extrapolation to mitigate long-term extreme loads in wind turbines. Applied Energy 230, 1230-1241, 2018.

Yankai Cao, Huaizhe Yu, Nicholas L Abbott, Victor M Zavala. Machine learning algorithms for liquid crystal-based sensors. ACS Sensors 3, 2237-2245, 2018.

Jose a Renteria, Yankai Cao, Alexander W Dowling, Victor M Zavala. Optimal PID controller tuning using stochastic programming techniques. AIChE Journal 64, 2997-3010, 2018.

Javier Tovar-Facio, Yankai Cao, José M Ponce-Ortega, Victor M Zavala. Scalable solution strategies for chance-constrained nonlinear programs. Industrial & Engineering Chemistry Research 57, 7987-7998, 2018.

Yankai Cao, David Acevedo, Zoltan K Nagy, Carl D Laird. Real-time feasible multi-objective optimization based nonlinear model predictive control of particle size and shape in a batch crystallization process. Control Engineering Practice 69, 1-8, 2017.

Yankai Cao, Luis Fabian Fuentes-Cortes, Siyu Chen, Victor M Zavala. Scalable modeling and solution of stochastic multiobjective optimization problems. Computers & Chemical Engineering 99, 185-197, 2017.

Yankai Cao and Jia Kang and Zoltan K Nagy and Carl D Laird. Parallel solution of robust nonlinear model predictive control problems in batch crystallization. Processes, 2016.

Yankai Cao, Carl D Laird, Victor M Zavala. Clustering-based preconditioning for stochastic programs. Computational Optimization and Applications 64, 379-406, 2016.

Yankai Cao, Arpan Seth, Carl D Laird. An augmented Lagrangian interior-point approach for large-scale NLP problems on graphics processing units. Computers & Chemical Engineering 85, 76-83, 2016.

Yankai Cao. Parallel algorithms for nonlinear programming and applications in pharmaceutical manufacturing. Purdue University, 2015.

Jia Kang, Yankai Cao, Daniel P Word, Carl D Laird. An interior-point method for efficient solution of block-structured NLP problems using an implicit Schur-complement decomposition. Computers & Chemical Engineering 71, 563-573, 2014.