Teng Fei

Zeyang Zhang, Xingwang Li, Fei Teng et al. · tsinghua

Human albumin is essential for indicating the body's overall health. Accurately predicting plasma albumin levels and determining appropriate doses are urgent clinical challenges, particularly in critically ill patients, to maintain optimal blood levels. However, human albumin prediction is non-trivial that has to leverage the dynamics of biochemical markers as well as the experience of treating patients. Moreover, the problem of distribution shift is often encountered in real clinical data, which may lead to a decline in the model prediction performance and reduce the reliability of the model's application. In this paper, we propose a framework named Out-of-Distribution Generalized Dynamic Graph Neural Network for Human Albumin Prediction (DyG-HAP), which is able to provide accurate albumin predictions for Intensity Care Unit (ICU) patients during hospitalization. We first model human albumin prediction as a dynamic graph regression problem to model the dynamics and patient relationship. Then, we propose a disentangled dynamic graph attention mechanism to capture and disentangle the patterns whose relationship to labels under distribution shifts is invariant and variant respectively. Last, we propose an invariant dynamic graph regression method to encourage the model to rely on invariant patterns to make predictions. Moreover, we propose a dataset named Albumin level testing and nutritional dosing data for Intensive Care (ANIC) for evaluation. Extensive experiments demonstrate the superiority of our method compared to several baseline methods in human albumin prediction.

Wangkun Xu, Qian Chen, Pudong Ge et al.

Encoding frequency stability constraints in the operation problem is challenging due to its complex dynamics. Recently, data-driven approaches have been proposed to learn the stability criteria offline with the trained model embedded as a constraint of online optimization. However, random sampling of stationary operation points is less efficient in generating balanced stable and unstable samples. Meanwhile, the performance of such a model is strongly dependent on the quality of the training dataset. Observing this research gap, we propose a gradient-based data generation method via forward-mode automatic differentiation. In this method, the original dynamic system is augmented with new states that represent the dynamic of sensitivities of the original states, which can be solved by invoking any ODE solver for a single time. To compensate for the contradiction between the gradient of various frequency stability criteria, gradient surgery is proposed by projecting the gradient on the normal plane of the other. In the end, we demonstrate the superior performance of the proposed sampling algorithm, compared with the unrolling differentiation and finite difference. All codes are available at https://github.com/xuwkk/frequency_sample_ad.

Wangkun Xu, Jianhong Wang, Fei Teng

Successful machine learning involves a complete pipeline of data, model, and downstream applications. Instead of treating them separately, there has been a prominent increase of attention within the constrained optimization (CO) and machine learning (ML) communities towards combining prediction and optimization models. The so-called end-to-end (E2E) learning captures the task-based objective for which they will be used for decision making. Although a large variety of E2E algorithms have been presented, it has not been fully investigated how to systematically address uncertainties involved in such models. Most of the existing work considers the uncertainties of ML in the input space and improves robustness through adversarial training. We extend this idea to E2E learning and prove that there is a robustness certification procedure by solving augmented integer programming. Furthermore, we show that neglecting the uncertainty of COs during training causes a new trigger for generalization errors. To include all these components, we propose a unified framework that covers the uncertainties emerging in both the input feature space of the ML models and the COs. The framework is described as a robust optimization problem and is practically solved via end-to-end adversarial training (E2E-AT). Finally, the performance of E2E-AT is evaluated by a real-world end-to-end power system operation problem, including load forecasting and sequential scheduling tasks.