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Register a new userTowards Trustworthy Predictions from Deep Neural Networks with Fast Adversarial Calibration
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Added by
Christian Tomani
Publication date
2020
fields
Informatics Engineering
and research's language is
English
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To facilitate a wide-spread acceptance of AI systems guiding decision making in real-world applications, trustworthiness of deployed models is key. That is, it is crucial for predictive models to be uncertainty-aware and yield well-calibrated (and thus trustworthy) predictions for both in-domain samples as well as under domain shift. Recent efforts to account for predictive uncertainty include post-processing steps for trained neural networks, Bayesian neural networks as well as alternative non-Bayesian approaches such as ensemble approaches and evidential deep learning. Here, we propose an efficient yet general modelling approach for obtaining well-calibrated, trustworthy probabilities for samples obtained after a domain shift. We introduce a new training strategy combining an entropy-encouraging loss term with an adversarial calibration loss term and demonstrate that this results in well-calibrated and technically trustworthy predictions for a wide range of domain drifts. We comprehensively evaluate previously proposed approaches on different data modalities, a large range of data sets including sequence data, network architectures and perturbation strategies. We observe that our modelling approach substantially outperforms existing state-of-the-art approaches, yielding well-calibrated predictions under domain drift.
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Effective regularization techniques are highly desired in deep learning for alleviating overfitting and improving generalization. This work proposes a new regularization scheme, based on the understanding that the flat local minima of the empirical risk cause the model to generalize better. This scheme is referred to as adversarial model perturbation (AMP), where instead of directly minimizing the empirical risk, an alternative AMP loss is minimized via SGD. Specifically, the AMP loss is obtained from the empirical risk by applying the worst norm-bounded perturbation on each point in the parameter space. Comparing with most existing regularization schemes, AMP has strong theoretical justifications, in that minimizing the AMP loss can be shown theoretically to favour flat local minima of the empirical risk. Extensive experiments on various modern deep architectures establish AMP as a new state of the art among regularization schemes. Our code is available at https://github.com/hiyouga/AMP-Regularizer.
We introduce Deep Reasoning Networks (DRNets), an end-to-end framework that combines deep learning with reasoning for solving complex tasks, typically in an unsupervised or weakly-supervised setting. DRNets exploit problem structure and prior knowledge by tightly combining logic and constraint reasoning with stochastic-gradient-based neural network optimization. We illustrate the power of DRNets on de-mixing overlapping hand-written Sudokus (Multi-MNIST-Sudoku) and on a substantially more complex task in scientific discovery that concerns inferring crystal structures of materials from X-ray diffraction data under thermodynamic rules (Crystal-Structure-Phase-Mapping). At a high level, DRNets encode a structured latent space of the input data, which is constrained to adhere to prior knowledge by a reasoning module. The structured latent encoding is used by a generative decoder to generate the targeted output. Finally, an overall objective combines responses from the generative decoder (thinking fast) and the reasoning module (thinking slow), which is optimized using constraint-aware stochastic gradient descent. We show how to encode different tasks as DRNets and demonstrate DRNets effectiveness with detailed experiments: DRNets significantly outperform the state of the art and experts capabilities on Crystal-Structure-Phase-Mapping, recovering more precise and physically meaningful crystal structures. On Multi-MNIST-Sudoku, DRNets perfectly recovered the mixed Sudokus digits, with 100% digit accuracy, outperforming the supervised state-of-the-art MNIST de-mixing models. Finally, as a proof of concept, we also show how DRNets can solve standard combinatorial problems -- 9-by-9 Sudoku puzzles and Boolean satisfiability problems (SAT), outperforming other specialized deep learning models. DRNets are general and can be adapted and expanded to tackle other tasks.
Graph neural networks (GNNs) have achieved high performance in analyzing graph-structured data and have been widely deployed in safety-critical areas, such as finance and autonomous driving. However, only a few works have explored GNNs robustness to adversarial attacks, and their designs are usually limited by the scale of input datasets (i.e., focusing on small graphs with only thousands of nodes). In this work, we propose, SAG, the first scalable adversarial attack method with Alternating Direction Method of Multipliers (ADMM). We first decouple the large-scale graph into several smaller graph partitions and cast the original problem into several subproblems. Then, we propose to solve these subproblems using projected gradient descent on both the graph topology and the node features that lead to considerably lower memory consumption compared to the conventional attack methods. Rigorous experiments further demonstrate that SAG can significantly reduce the computation and memory overhead compared with the state-of-the-art approach, making SAG applicable towards graphs with large size of nodes and edges.
Safety concerns on the deep neural networks (DNNs) have been raised when they are applied to critical sectors. In this paper, we define safety risks by requesting the alignment of the networks decision with human perception. To enable a general methodology for quantifying safety risks, we define a generic safety property and instantiate it to express various safety risks. For the quantification of risks, we take the maximum radius of safe norm balls, in which no safety risk exists. The computation of the maximum safe radius is reduced to the computation of their respective Lipschitz metrics - the quantities to be computed. In addition to the known adversarial example, reachability example, and invariant example, in this paper we identify a new class of risk - uncertainty example - on which humans can tell easily but the network is unsure. We develop an algorithm, inspired by derivative-free optimization techniques and accelerated by tensor-based parallelization on GPUs, to support efficient computation of the metrics. We perform evaluations on several benchmark neural networks, including ACSC-Xu, MNIST, CIFAR-10, and ImageNet networks. The experiments show that, our method can achieve competitive performance on safety quantification in terms of the tightness and the efficiency of computation. Importantly, as a generic approach, our method can work with a broad class of safety risks and without restrictions on the structure of neural networks.
Optimal decision making requires that classifiers produce uncertainty estimates consistent with their empirical accuracy. However, deep neural networks are often under- or over-confident in their predictions. Consequently, methods have been developed to improve the calibration of their predictive uncertainty both during training and post-hoc. In this work, we propose differentiable losses to improve calibration based on a soft (continuous) version of the binning operation underlying popular calibration-error estimators. When incorporated into training, these soft calibration losses achieve state-of-the-art single-model ECE across multiple datasets with less than 1% decrease in accuracy. For instance, we observe an 82% reduction in ECE (70% relative to the post-hoc rescaled ECE) in exchange for a 0.7% relative decrease in accuracy relative to the cross entropy baseline on CIFAR-100. When incorporated post-training, the soft-binning-based calibration error objective improves upon temperature scaling, a popular recalibration method. Overall, experiments across losses and datasets demonstrate that using calibration-sensitive procedures yield better uncertainty estimates under dataset shift than the standard practice of using a cross entropy loss and post-hoc recalibration methods.
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