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We designed a minilibrary of 55 small molecule peptidomimetics based on beta-turns of the neurotrophin growth factor polypeptides neurotrophin-3 (NT-3) and nerve growth factor (NGF). Direct binding, binding competition, and biological screens identified agonistic ligands of the ectodomain of the neurotrophin receptors TrkC and TrkA. Agonism is intrinsic to the peptidomimetic ligand (in the absence of neurotrophins), and/or can also be detected as potentiation of neurotrophin action. Remarkably, some peptidomimetics afford both neurotrophic activities of cell survival and neuronal differentiation, while others afford discrete signals leading to either survival or differentiation. The high rate of hits identified suggests that focused minilibraries may be desirable for developing bioactive ligands of cell surface receptors. Small, selective, proteolytically stable ligands with defined biological activity may have therapeutic potential.

We present GraphMix, a regularization technique for Graph Neural Network based semi-supervised object classification, leveraging the recent advances in the regularization of classical deep neural networks. Specifically, we propose a unified approach in which we train a fully-connected network jointly with the graph neural network via parameter sharing, interpolation-based regularization and selfpredicted-targets. Our proposed method is architecture agnostic in the sense that it can be applied to any variant of graph neural networks which applies a parametric transformation to the features of the graph nodes. Despite its simplicity, with GraphMix we can consistently improve results and achieve or closely match state-of-the-art performance using even simpler architectures such as Graph Convolutional Networks, across three established graph benchmarks: the Cora, Citeseer and Pubmed citation network datasets, as well as three newly proposed datasets : Cora-Full, Co-author-CS and Co-author-Physics.

Much of the existing research on the social and ethical impact of Artificial Intelligence has been focused on defining ethical principles and guidelines surrounding Machine Learning (ML) and other Artificial Intelligence (AI) algorithms [IEEE, 2017, Jobin et al., 2019. While this is extremely useful for helping define the appropriate social norms of AI, we believe that it is equally important to discuss both the potential and risks of ML and to inspire the community to use ML for beneficial objectives. In the present article, which is specifically aimed at ML practitioners, we thus focus more on the latter, carrying out an overview of existing high-level ethical frameworks and guidelines, but above all proposing both conceptual and practical principles and guidelines for ML research and deployment, insisting on concrete actions that can be taken by practitioners to pursue a more ethical and moral practice of ML aimed at using AI for social good. * Also CIFAR Senior Fellow

In the presence of a heavy-tail noise distribution, regression becomes much more difficult. Traditional robust regression methods assume that the noise distribution is symmetric, and they downweight the influence of so-called outliers. When the noise distribution is asymmetric, these methods yield biased regression estimators. Motivated by data-mining problems for the insurance industry, we propose a new approach to robust regression tailored to deal with asymmetric noise distribution. The main idea is to learn most of the parameters of the model using conditional quantile estimators (which are biased but robust estimators of the regression) and to learn a few remaining parameters to combine and correct these estimators, to minimize the average squared error in an unbiased way. Theoretical analysis and experiments show the clear advantages of the approach. Results are on artificial data as well as insurance data, using both linear and neural network predictors.