Current research in convolutional neural networks (CNN) focuses mainly on changing the architecture of the networks, optimizing the hyper-parameters and improving the gradient descent. However, most work use only 3 standard families of operations inside the CNN, the convolution, the activation function, and the pooling. In this work, we propose a new family of operations based on the Green's function of the Laplacian, which allows the network to solve the Laplacian, to integrate any vector field and to regularize the field by forcing it to be conservative. Hence, the Green's function (GF) is the first operation that regularizes the 2D or 3D feature space by forcing it to be conservative and physically interpretable, instead of regularizing the norm of the weights. Our results show that such regularization allows the network to learn faster, to have smoother training curves and to better generalize, without any additional parameter. The current manuscript presents early results, more work is required to benchmark the proposed method.

We introduce a family of multilayer graph kernels and establish new links between graph convolutional neural networks and kernel methods. Our approach generalizes convolutional kernel networks to graph-structured data, by representing graphs as a sequence of kernel feature maps, where each node carries information about local graph substructures. On the one hand, the kernel point of view offers an unsupervised, expressive, and easy-to-regularize data representation, which is useful when limited samples are available. On the other hand, our model can also be trained end-to-end on large-scale data, leading to new types of graph convolutional neural networks. We show that our method achieves competitive performance on several graph classification benchmarks, while offering simple model interpretation. Our code is freely available at https://github.com/claying/GCKN.

We propose a process model for the development of machine learning applications. It guides machine learning practitioners and project organizations from industry and academia with a checklist of tasks that spans the complete project life-cycle, ranging from the very first idea to the continuous maintenance of any machine learning application. With each task, we propose quality assurance methodology that is drawn from practical experience and scientific literature and that has proven to be general and stable enough to include them in best practices. We expand on CRISP-DM, a data mining process model that enjoys strong industry support but lacks to address machine learning specific tasks.

The reservoir computing (RC) paradigm [9] is a peculiar and economic way to train a recurrent neural network (RNN) because only the output layer is modified while the input and recurrent layers are kept unmodified. Such RNNs are called reservoirs because they provide a pool of nonlinear computations based on inputs. Many variants (such as Echo State Networks [8] and Liquid State Machine [15]), along with specific extensions of this RC paradigm have been proposed since its initial stance by [8] (for a review see [14]), including implementations in various hardware like DNAor laser-based ones (see [25] for a recent review on physical reservoirs). A recent and major enhancement of the RC paradigm has been proposed by Jaeger [10], called Conceptors (see Figure 1 that introduces the main concepts). Intuitively, a conceptor represents a subspace of internal states of a RNN, e.g. the trajectory of a reservoir when fed by some input.

The best way to calculate statistics from medical data is to use the data of individual patients. In some settings, this data is difficult to obtain due to privacy restrictions. In Germany, for example, it is not possible to pool routine data from different hospitals for research purposes without the consent of the patients. The DataSHIELD software provides an infrastructure and a set of statistical methods for joint analyses of distributed data. The contained algorithms are reformulated to work with aggregated data from the participating sites instead of the individual data. If a desired algorithm is not implemented in DataSHIELD or cannot be reformulated in such a way, using artificial data is an alternative. We present a methodology together with a software implementation that builds on DataSHIELD to create artificial data that preserve complex patterns from distributed individual patient data. Such data sets of artificial patients, which are not linked to real patients, can then be used for joint analyses. We use deep Boltzmann machines (DBMs) as generative models for capturing the distribution of data. For the implementation, we employ the package "BoltzmannMachines" from the Julia programming language and wrap it for use with DataSHIELD, which is based on R. As an exemplary application, we conduct a distributed analysis with DBMs on a synthetic data set, which simulates genetic variant data. Patterns from the original data can be recovered in the artificial data using hierarchical clustering of the virtual patients, demonstrating the feasibility of the approach. Our implementation adds to DataSHIELD the ability to generate artificial data that can be used for various analyses, e. g. for pattern recognition with deep learning. This also demonstrates more generally how DataSHIELD can be flexibly extended with advanced algorithms from languages other than R.

We address the problem of personalizing query completion in a digital commerce setting, in which the bounce rate is typically high and recurring users are rare. We focus on in-session personalization and improve a standard noisy channel model by injecting dense vectors computed from product images at query time. We argue that image-based personalization displays several advantages over alternative proposals (from data availability to business scalability), and provide quantitative evidence and qualitative support on the effectiveness of the proposed methods. Finally, we show how a shared vector space between similar shops can be used to improve the experience of users browsing across sites, opening up the possibility of applying zero-shot unsupervised personalization to increase conversions. This will prove to be particularly relevant to retail groups that manage multiple brands and/or websites and to multi-tenant SaaS providers that serve multiple clients in the same space.

While a large body of research has formally identified apolipoprotein E (APOE) as a major genetic risk marker for Alzheimer disease, accumulating evidence supports the notion that other risk markers may exist. The traditional Alzheimer-specific signature analysis methods, however, have not been able to make full use of rich protein expression data, especially the interaction between attributes. This paper develops a novel feature selection method to identify pathogenic factors of Alzheimer disease using the proteomic and clinical data. This approach has taken the weights of network nodes as the importance order of signaling protein expression values. After generating and evaluating the candidate subset, the method helps to select an optimal subset of proteins that achieved an accuracy greater than 90%, which is superior to traditional machine learning methods for clinical Alzheimer disease diagnosis. Besides identifying a proteomic risk marker and further reinforce the link between metabolic risk factors and Alzheimer disease, this paper also suggests that apidonectin-linked pathways are a possible therapeutic drug target.

Training deep neural networks with stochastic gradient descent (SGD) can often achieve zero training loss on real-world tasks although the optimization landscape is known to be highly non-convex. To understand the success of SGD for training deep neural networks, this work presents a mean-field analysis of deep residual networks, based on a line of works that interpret the continuum limit of the deep residual network as an ordinary differential equation when the network capacity tends to infinity. Specifically, we propose a new continuum limit of deep residual networks, which enjoys a good landscape in the sense that every local minimizer is global. This characterization enables us to derive the first global convergence result for multilayer neural networks in the mean-field regime. Furthermore, without assuming the convexity of the loss landscape, our proof relies on a zero-loss assumption at the global minimizer that can be achieved when the model shares a universal approximation property. Key to our result is the observation that a deep residual network resembles a shallow network ensemble, i.e. a two-layer network. We bound the difference between the shallow network and our ResNet model via the adjoint sensitivity method, which enables us to apply existing mean-field analyses of two-layer networks to deep networks. Furthermore, we propose several novel training schemes based on the new continuous model, including one training procedure that switches the order of the residual blocks and results in strong empirical performance on the benchmark datasets.

Many learning algorithms such as kernel machines, nearest neighbors, clustering, or anomaly detection, are based on the concept of 'distance' or 'similarity'. Before similarities are used for training an actual machine learning model, we would like to verify that they are bound to meaningful patterns in the data. In this paper, we propose to make similarities interpretable by augmenting them with an explanation in terms of input features. We develop BiLRP, a scalable and theoretically founded method to systematically decompose similarity scores on pairs of input features. Our method can be expressed as a composition of LRP explanations, which were shown in previous works to scale to highly nonlinear functions. Through an extensive set of experiments, we demonstrate that BiLRP robustly explains complex similarity models, e.g. built on VGG-16 deep neural network features. Additionally, we apply our method to an open problem in digital humanities: detailed assessment of similarity between historical documents such as astronomical tables. Here again, BiLRP provides insight and brings verifiability into a highly engineered and problem-specific similarity model.

We hypothesize that curiosity is a mechanism found by evolution that encourages meaningful exploration early in an agent's life in order to expose it to experiences that enable it to obtain high rewards over the course of its lifetime. We formulate the problem of generating curious behavior as one of meta-learning: an outer loop will search over a space of curiosity mechanisms that dynamically adapt the agent's reward signal, and an inner loop will perform standard reinforcement learning using the adapted reward signal. However, current meta-RL methods based on transferring neural network weights have only generalized between very similar tasks. To broaden the generalization, we instead propose to meta-learn algorithms: pieces of code similar to those designed by humans in ML papers. Our rich language of programs combines neural networks with other building blocks such as buffers, nearest-neighbor modules and custom loss functions. We demonstrate the effectiveness of the approach empirically, finding two novel curiosity algorithms that perform on par or better than human-designed published curiosity algorithms in domains as disparate as grid navigation with image inputs, acrobot, lunar lander, ant and hopper.