Haoxiang Huang

Tom Tirer, Haoxiang Huang, Jonathan Niles-Weed

Training deep neural networks for classification often includes minimizing the training loss beyond the zero training error point. In this phase of training, a "neural collapse" behavior has been observed: the variability of features (outputs of the penultimate layer) of within-class samples decreases and the mean features of different classes approach a certain tight frame structure. Recent works analyze this behavior via idealized unconstrained features models where all the minimizers exhibit exact collapse. However, with practical networks and datasets, the features typically do not reach exact collapse, e.g., because deep layers cannot arbitrarily modify intermediate features that are far from being collapsed. In this paper, we propose a richer model that can capture this phenomenon by forcing the features to stay in the vicinity of a predefined features matrix (e.g., intermediate features). We explore the model in the small vicinity case via perturbation analysis and establish results that cannot be obtained by the previously studied models. For example, we prove reduction in the within-class variability of the optimized features compared to the predefined input features (via analyzing gradient flow on the "central-path" with minimal assumptions), analyze the minimizers in the near-collapse regime, and provide insights on the effect of regularization hyperparameters on the closeness to collapse. We support our theory with experiments in practical deep learning settings.

Weiming Ding, Haoxiang Huang, Tzu Jung Lee et al.

In recent years, surrogate models based on deep neural networks (DNN) have been widely used to solve partial differential equations, which were traditionally handled by means of numerical simulations. This kind of surrogate models, however, focuses on global interpolation of the training dataset, and thus requires a large network structure. The process is both time consuming and computationally costly, thereby restricting their use for high-fidelity prediction of complex physical problems. In the present study, we develop a neural network with local converging input (NNLCI) for high-fidelity prediction using unstructured data. The framework utilizes the local domain of dependence with converging coarse solutions as input, which greatly reduces computational resource and training time. As a validation case, the NNLCI method is applied to study inviscid supersonic flows in channels with bumps. Different bump geometries and locations are considered to benchmark the effectiveness and versability of the proposed approach. Detailed flow structures, including shock-wave interactions, are examined systematically.

Sheng Liu, Aakash Kaku, Weicheng Zhu et al.

Reliable probability estimation is of crucial importance in many real-world applications where there is inherent (aleatoric) uncertainty. Probability-estimation models are trained on observed outcomes (e.g. whether it has rained or not, or whether a patient has died or not), because the ground-truth probabilities of the events of interest are typically unknown. The problem is therefore analogous to binary classification, with the difference that the objective is to estimate probabilities rather than predicting the specific outcome. This work investigates probability estimation from high-dimensional data using deep neural networks. There exist several methods to improve the probabilities generated by these models but they mostly focus on model (epistemic) uncertainty. For problems with inherent uncertainty, it is challenging to evaluate performance without access to ground-truth probabilities. To address this, we build a synthetic dataset to study and compare different computable metrics. We evaluate existing methods on the synthetic data as well as on three real-world probability estimation tasks, all of which involve inherent uncertainty: precipitation forecasting from radar images, predicting cancer patient survival from histopathology images, and predicting car crashes from dashcam videos. We also give a theoretical analysis of a model for high-dimensional probability estimation which reproduces several of the phenomena evinced in our experiments. Finally, we propose a new method for probability estimation using neural networks, which modifies the training process to promote output probabilities that are consistent with empirical probabilities computed from the data. The method outperforms existing approaches on most metrics on the simulated as well as real-world data.