我们提出了一个混合工业冷却系统模型，该模型将分析解决方案嵌入多物理模拟中。该模型设计用于增强学习（RL）应用程序，并平衡简单性与模拟保真度和解释性。该模型的忠诚度根据大规模冷却系统的现实世界数据进行了评估。接下来是一个案例研究，说明如何将模型用于RL研究。为此，我们开发了一个工业任务套件，该套件允许指定不同的问题设置和复杂性水平，并使用它来评估不同RL算法的性能。

Graph Neural Networks (GNNs) have become increasingly important in recent years due to their state-of-the-art performance on many important downstream applications. Existing GNNs have mostly focused on learning a single node representation, despite that a node often exhibits polysemous behavior in different contexts. In this work, we develop a persona-based graph neural network framework called PersonaSAGE that learns multiple persona-based embeddings for each node in the graph. Such disentangled representations are more interpretable and useful than a single embedding. Furthermore, PersonaSAGE learns the appropriate set of persona embeddings for each node in the graph, and every node can have a different number of assigned persona embeddings. The framework is flexible enough and the general design helps in the wide applicability of the learned embeddings to suit the domain. We utilize publicly available benchmark datasets to evaluate our approach and against a variety of baselines. The experiments demonstrate the effectiveness of PersonaSAGE for a variety of important tasks including link prediction where we achieve an average gain of 15% while remaining competitive for node classification. Finally, we also demonstrate the utility of PersonaSAGE with a case study for personalized recommendation of different entity types in a data management platform.

We introduce camouflaged data poisoning attacks, a new attack vector that arises in the context of machine unlearning and other settings when model retraining may be induced. An adversary first adds a few carefully crafted points to the training dataset such that the impact on the model's predictions is minimal. The adversary subsequently triggers a request to remove a subset of the introduced points at which point the attack is unleashed and the model's predictions are negatively affected. In particular, we consider clean-label targeted attacks (in which the goal is to cause the model to misclassify a specific test point) on datasets including CIFAR-10, Imagenette, and Imagewoof. This attack is realized by constructing camouflage datapoints that mask the effect of a poisoned dataset.

Light guide plates are essential optical components widely used in a diverse range of applications ranging from medical lighting fixtures to back-lit TV displays. In this work, we introduce a fully-integrated, high-throughput, high-performance deep learning-driven workflow for light guide plate surface visual quality inspection (VQI) tailored for real-world manufacturing environments. To enable automated VQI on the edge computing within the fully-integrated VQI system, a highly compact deep anti-aliased attention condenser neural network (which we name LightDefectNet) tailored specifically for light guide plate surface defect detection in resource-constrained scenarios was created via machine-driven design exploration with computational and "best-practices" constraints as well as L_1 paired classification discrepancy loss. Experiments show that LightDetectNet achieves a detection accuracy of ~98.2% on the LGPSDD benchmark while having just 770K parameters (~33X and ~6.9X lower than ResNet-50 and EfficientNet-B0, respectively) and ~93M FLOPs (~88X and ~8.4X lower than ResNet-50 and EfficientNet-B0, respectively) and ~8.8X faster inference speed than EfficientNet-B0 on an embedded ARM processor. As such, the proposed deep learning-driven workflow, integrated with the aforementioned LightDefectNet neural network, is highly suited for high-throughput, high-performance light plate surface VQI within real-world manufacturing environments.

Deep neural networks (DNN) are prone to miscalibrated predictions, often exhibiting a mismatch between the predicted output and the associated confidence scores. Contemporary model calibration techniques mitigate the problem of overconfident predictions by pushing down the confidence of the winning class while increasing the confidence of the remaining classes across all test samples. However, from a deployment perspective, an ideal model is desired to (i) generate well-calibrated predictions for high-confidence samples with predicted probability say >0.95, and (ii) generate a higher proportion of legitimate high-confidence samples. To this end, we propose a novel regularization technique that can be used with classification losses, leading to state-of-the-art calibrated predictions at test time; From a deployment standpoint in safety-critical applications, only high-confidence samples from a well-calibrated model are of interest, as the remaining samples have to undergo manual inspection. Predictive confidence reduction of these potentially ``high-confidence samples'' is a downside of existing calibration approaches. We mitigate this by proposing a dynamic train-time data pruning strategy that prunes low-confidence samples every few epochs, providing an increase in "confident yet calibrated samples". We demonstrate state-of-the-art calibration performance across image classification benchmarks, reducing training time without much compromise in accuracy. We provide insights into why our dynamic pruning strategy that prunes low-confidence training samples leads to an increase in high-confidence samples at test time.

The performance of differentially private machine learning can be boosted significantly by leveraging the transfer learning capabilities of non-private models pretrained on large public datasets. We critically review this approach. We primarily question whether the use of large Web-scraped datasets should be viewed as differential-privacy-preserving. We caution that publicizing these models pretrained on Web data as "private" could lead to harm and erode the public's trust in differential privacy as a meaningful definition of privacy. Beyond the privacy considerations of using public data, we further question the utility of this paradigm. We scrutinize whether existing machine learning benchmarks are appropriate for measuring the ability of pretrained models to generalize to sensitive domains, which may be poorly represented in public Web data. Finally, we notice that pretraining has been especially impactful for the largest available models -- models sufficiently large to prohibit end users running them on their own devices. Thus, deploying such models today could be a net loss for privacy, as it would require (private) data to be outsourced to a more compute-powerful third party. We conclude by discussing potential paths forward for the field of private learning, as public pretraining becomes more popular and powerful.

We study the relationship between adversarial robustness and differential privacy in high-dimensional algorithmic statistics. We give the first black-box reduction from privacy to robustness which can produce private estimators with optimal tradeoffs among sample complexity, accuracy, and privacy for a wide range of fundamental high-dimensional parameter estimation problems, including mean and covariance estimation. We show that this reduction can be implemented in polynomial time in some important special cases. In particular, using nearly-optimal polynomial-time robust estimators for the mean and covariance of high-dimensional Gaussians which are based on the Sum-of-Squares method, we design the first polynomial-time private estimators for these problems with nearly-optimal samples-accuracy-privacy tradeoffs. Our algorithms are also robust to a constant fraction of adversarially-corrupted samples.

Protein structure prediction is a fundamental problem in computational molecular biology. Classical algorithms such as ab-initio or threading as well as many learning methods have been proposed to solve this challenging problem. However, most reinforcement learning methods tend to model the state-action pairs as discrete objects. In this paper, we develop a reinforcement learning (RL) framework in a continuous setting and based on a stochastic parametrized Hamiltonian version of the Pontryagin maximum principle (PMP) to solve the side-chain packing and protein-folding problem. For special cases our formulation can be reduced to previous work where the optimal folding trajectories are trained using an explicit use of Langevin dynamics. Optimal continuous stochastic Hamiltonian dynamics folding pathways can be derived with use of different models of molecular energetics and force fields. In our RL implementation we adopt a soft actor-critic methodology however we can replace this other RL training based on A2C, A3C or PPO.

We are interested in neurosymbolic systems consisting of a high-level symbolic layer for explainable prediction in terms of human-intelligible concepts; and a low-level neural layer for extracting symbols required to generate the symbolic explanation. Real data is often imperfect meaning that even if the symbolic theory remains unchanged, we may still need to address the problem of mapping raw data to high-level symbols, each time there is a change in the data acquisition environment or equipment. Manual (re-)annotation of the raw data each time this happens is laborious and expensive; and automated labelling methods are often imperfect, especially for complex problems. NEUROLOG proposed the use of a semantic loss function that allows an existing feature-based symbolic model to guide the extraction of feature-values from raw data, using `abduction'. However, the experiments demonstrating the use of semantic loss through abduction appear to rely heavily on a domain-specific pre-processing step that enables a prior delineation of feature locations in the raw data. We examine the use of semantic loss in domains where such pre-processing is not possible, or is not obvious. We show that without any prior information about the features, the NEUROLOG approach can continue to predict accurately even with substantially incorrect feature predictions. We show also that prior information about the features in the form of even imperfect pre-training can help correct this situation. These findings are replicated on the original problem considered by NEUROLOG, without the use of feature-delineation. This suggests that symbolic explanations constructed for data in a domain could be re-used in a related domain, by `feature-adaptation' of pre-trained neural extractors using the semantic loss function constrained by abductive feedback.

Structural failures are often caused by catastrophic events such as earthquakes and winds. As a result, it is crucial to predict dynamic stress distributions during highly disruptive events in real time. Currently available high-fidelity methods, such as Finite Element Models (FEMs), suffer from their inherent high complexity. Therefore, to reduce computational cost while maintaining accuracy, a Physics Informed Neural Network (PINN), PINN-Stress model, is proposed to predict the entire sequence of stress distribution based on Finite Element simulations using a partial differential equation (PDE) solver. Using automatic differentiation, we embed a PDE into a deep neural network's loss function to incorporate information from measurements and PDEs. The PINN-Stress model can predict the sequence of stress distribution in almost real-time and can generalize better than the model without PINN.