In this task, you are given the abstract of a research paper. Your task is to generate a summary of this abstract. Your summary should not be very short, but it's better if it's not more than 30 words.
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Question: In recent years there has been a rapid increase in classification methods on graph structured data. Both in graph kernels and graph neural networks, one of the implicit assumptions of successful state-of-the-art models was that incorporating graph isomorphism features into the architecture leads to better empirical performance. However, as we discover in this work, commonly used data sets for graph classification have repeating instances which cause the problem of isomorphism bias, i.e. artificially increasing the accuracy of the models by memorizing target information from the training set. This prevents fair competition of the algorithms and raises a question of the validity of the obtained results. We analyze 54 data sets, previously extensively used for graph-related tasks, on the existence of isomorphism bias, give a set of recommendations to machine learning practitioners to properly set up their models, and open source new data sets for the future experiments.

Answer: Many graph classification data sets have duplicates, thus raising questions about generalization abilities and fair comparison of the models. 


Question: Uncertainty estimation and ensembling methods go hand-in-hand. Uncertainty estimation is one of the main benchmarks for assessment of ensembling performance. At the same time, deep learning ensembles have provided state-of-the-art results in uncertainty estimation. In this work, we focus on in-domain uncertainty for image classification. We explore the standards for its quantification and point out pitfalls of existing metrics. Avoiding these pitfalls, we perform a broad study of different ensembling techniques. To provide more insight in the broad comparison, we introduce the deep ensemble equivalent (DEE) and show that many sophisticated ensembling techniques are equivalent to an ensemble of very few independently trained networks in terms of the test log-likelihood.

Answer: We highlight the problems with common metrics of in-domain uncertainty and perform a broad study of modern ensembling techniques.


Question: We consider new variants of optimization algorithms. Our algorithms are based on the observation that mini-batch of stochastic gradients in consecutive iterations do not change drastically and consequently may be predictable. Inspired by the similar setting in online learning literature called Optimistic Online learning, we propose two new optimistic algorithms for AMSGrad and Adam, respectively, by  exploiting the predictability of gradients.   The new algorithms combine the idea of momentum method, adaptive gradient method, and algorithms in Optimistic Online learning, which leads to speed up in training deep neural nets in practice.

Answer:
We consider new variants of optimization algorithms for training deep nets.