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Uncertainty-Aware Attention for Reliable Interpretation and Prediction

arXiv.org Machine Learning

Attention mechanism is effective in both focusing the deep learning models on relevant features and interpreting them. However, attentions may be unreliable since the networks that generate them are often trained in a weakly-supervised manner. To overcome this limitation, we introduce the notion of input-dependent uncertainty to the attention mechanism, such that it generates attention for each feature with varying degrees of noise based on the given input, to learn larger variance on instances it is uncertain about. We learn this Uncertainty-aware Attention (UA) mechanism using variational inference, and validate it on various risk prediction tasks from electronic health records on which our model significantly outperforms existing attention models. The analysis of the learned attentions shows that our model generates attentions that comply with clinicians' interpretation, and provide richer interpretation via learned variance. Further evaluation of both the accuracy of the uncertainty calibration and the prediction performance with "I don't know" decision show that UA yields networks with high reliability as well.


Uncertainty-Aware Attention for Reliable Interpretation and Prediction

Neural Information Processing Systems

Attention mechanism is effective in both focusing the deep learning models on relevant features and interpreting them. However, attentions may be unreliable since the networks that generate them are often trained in a weakly-supervised manner. To overcome this limitation, we introduce the notion of input-dependent uncertainty to the attention mechanism, such that it generates attention for each feature with varying degrees of noise based on the given input, to learn larger variance on instances it is uncertain about. We learn this Uncertainty-aware Attention (UA) mechanism using variational inference, and validate it on various risk prediction tasks from electronic health records on which our model significantly outperforms existing attention models. The analysis of the learned attentions shows that our model generates attentions that comply with clinicians' interpretation, and provide richer interpretation via learned variance. Further evaluation of both the accuracy of the uncertainty calibration and the prediction performance with "I don't know'' decision show that UA yields networks with high reliability as well.


[$5000/$2500/$1250/$750/$500] - Phase 2 Urban World Prediction Challenge

#artificialintelligence

For challenges that have a reliability bonus, the bonus depends on the reliability rating at the moment of registration for that project. A participant with no previous projects is considered to have no reliability rating, and therefore gets no bonus. Reliability bonus does not apply to Digital Run winnings. Since reliability rating is based on the past 15 projects, it can only have 15 discrete values.


A comprehensive study on the prediction reliability of graph neural networks for virtual screening

arXiv.org Machine Learning

Prediction models based on deep neural networks are increasingly gaining attention for fast and accurate virtual screening systems. For decision makings in virtual screening, researchers find it useful to interpret an output of classification system as probability, since such interpretation allows them to filter out more desirable compounds. However, probabilistic interpretation cannot be correct for models that hold over-parameterization problems or inappropriate regularizations, leading to unreliable prediction and decision making. In this regard, we concern the reliability of neural prediction models on molecular properties, especially when models are trained with sparse data points and imbalanced distributions. This work aims to propose guidelines for training reliable models, we thus provide methodological details and ablation studies on the following train principles. We investigate the effects of model architectures, regularization methods, and loss functions on the prediction performance and reliability of classification results. Moreover, we evaluate prediction reliability of models on virtual screening scenario. Our result highlights that correct choice of regularization and inference methods is evidently important to achieve high success rate, especially in data imbalanced situation. All experiments were performed under a single unified model implementation to alleviate external randomness in model training and to enable precise comparison of results.


On the connections between saliency and tracking

Neural Information Processing Systems

A model connecting visual tracking and saliency has recently been proposed. This model is based on the saliency hypothesis for tracking which postulates that tracking is achieved by the top-down tuning, based on target features, of discriminant center-surround saliency mechanisms over time. In this work, we identify three main predictions that must hold if the hypothesis were true: 1) tracking reliability should be larger for salient than for non-salient targets, 2) tracking reliability should have a dependence on the defining variables of saliency, namely feature contrast and distractor heterogeneity, and must replicate the dependence of saliency on these variables, and 3) saliency and tracking can be implemented with common low level neural mechanisms. We confirm that the first two predictions hold by reporting results from a set of human behavior studies on the connection between saliency and tracking. We also show that the third prediction holds by constructing a common neurophysiologically plausible architecture that can computationally solve both saliency and tracking.