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Register a new userTemporal and Object Quantification Networks
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Jiayuan Mao
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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We present Temporal and Object Quantification Networks (TOQ-Nets), a new class of neuro-symbolic networks with a structural bias that enables them to learn to recognize complex relational-temporal events. This is done by including reasoning layers that implement finite-domain quantification over objects and time. The structure allows them to generalize directly to input instances with varying numbers of objects in temporal sequences of varying lengths. We evaluate TOQ-Nets on input domains that require recognizing event-types in terms of complex temporal relational patterns. We demonstrate that TOQ-Nets can generalize from small amounts of data to scenarios containing more objects than were present during training and to temporal warpings of input sequences.
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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.
Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable time and resources. The need for UQ is especially acute for neural models, which are becoming increasingly standard yet are challenging to interpret. While several approaches to UQ have been proposed in the literature, there is no clear consensus on the comparative performance of these models. In this paper, we study this question in the context of regression tasks. We systematically evaluate several methods on five benchmark datasets using multiple complementary performance metrics. Our experiments show that none of the methods we tested is unequivocally superior to all others, and none produces a particularly reliable ranking of errors across multiple datasets. While we believe these results show that existing UQ methods are not sufficient for all common use-cases and demonstrate the benefits of further research, we conclude with a practical recommendation as to which existing techniques seem to perform well relative to others.
Given a sequence of sets, where each set contains an arbitrary number of elements, the problem of temporal sets prediction aims to predict the elements in the subsequent set. In practice, temporal sets prediction is much more complex than predictive modelling of temporal events and time series, and is still an open problem. Many possible existing methods, if adapted for the problem of temporal sets prediction, usually follow a two-step strategy by first projecting temporal sets into latent representations and then learning a predictive model with the latent representations. The two-step approach often leads to information loss and unsatisfactory prediction performance. In this paper, we propose an integrated solution based on the deep neural networks for temporal sets prediction. A unique perspective of our approach is to learn element relationship by constructing set-level co-occurrence graph and then perform graph convolutions on the dynamic relationship graphs. Moreover, we design an attention-based module to adaptively learn the temporal dependency of elements and sets. Finally, we provide a gated updating mechanism to find the hidden shared patterns in different sequences and fuse both static and dynamic information to improve the prediction performance. Experiments on real-world data sets demonstrate that our approach can achieve competitive performances even with a portion of the training data and can outperform existing methods with a significant margin.
Uncertainty quantification in neural networks gained a lot of attention in the past years. The most popular approaches, Bayesian neural networks (BNNs), Monte Carlo dropout, and deep ensembles have one thing in common: they are all based on some kind of mixture model. While the BNNs build infinite mixture models and are derived via variational inference, the latter two build finite mixtures trained with the maximum likelihood method. In this work we investigate the effect of training an infinite mixture distribution with the maximum likelihood method instead of variational inference. We find that the proposed objective leads to stochastic networks with an increased predictive variance, which improves uncertainty based identification of miss-classification and robustness against adversarial attacks in comparison to a standard BNN with equivalent network structure. The new model also displays higher entropy on out-of-distribution data.
Emergence of artificial intelligence techniques in biomedical applications urges the researchers to pay more attention on the uncertainty quantification (UQ) in machine-assisted medical decision making. For classification tasks, prior studies on UQ are difficult to compare with each other, due to the lack of a unified quantitative evaluation metric. Considering that well-performing UQ models ought to know when the classification models act incorrectly, we design a new evaluation metric, area under Confidence-Classification Characteristic curves (AUCCC), to quantitatively evaluate the performance of the UQ models. AUCCC is threshold-free, robust to perturbation, and insensitive to the classification performance. We evaluate several UQ methods (e.g., max softmax output) with AUCCC to validate its effectiveness. Furthermore, a simple scheme, named Uncertainty Distillation (UDist), is developed to boost the UQ performance, where a confidence model is distilling the confidence estimated by deep ensembles. The proposed method is easy to implement; it consistently outperforms strong baselines on natural and medical image datasets in our experiments.
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