Anti-cancer drug sensitivity prediction using deep learning models for individual cell line is a significant challenge in personalized medicine. REFINED (REpresentation of Features as Images with NEighborhood Dependencies) CNN (Convolutional Neural Network) based models have shown promising results in drug sensitivity prediction. The primary idea behind REFINED CNN is representing high dimensional vectors as compact images with spatial correlations that can benefit from convolutional neural network architectures. However, the mapping from a vector to a compact 2D image is not unique due to variations in considered distance measures and neighborhoods. In this article, we consider predictions based on ensembles built from such mappings that can improve upon the best single REFINED CNN model prediction. Results illustrated using NCI60 and NCIALMANAC databases shows that the ensemble approaches can provide significant performance improvement as compared to individual models. We further illustrate that a single mapping created from the amalgamation of the different mappings can provide performance similar to stacking ensemble but with significantly lower computational complexity.

Deep generative models rely on their inductive bias to facilitate generalization, especially for problems with high dimensional data, like images. However, empirical studies have shown that variational autoencoders (VAE) and generative adversarial networks (GAN) lack the generalization ability that occurs naturally in human perception. For example, humans can visualize a woman smiling after only seeing a smiling man. On the contrary, the standard conditional VAE (cVAE) is unable to generate unseen attribute combinations. To this end, we extend cVAE by introducing a multilinear latent conditioning framework that captures the multiplicative interactions between the attributes. We implement two variants of our model and demonstrate their efficacy on MNIST, Fashion-MNIST and CelebA. Altogether, we design a novel conditioning framework that can be used with any architecture to synthesize unseen attribute combinations.

The recent success of neural networks for solving difficult decision talrt has incentivized incorporating smart decision making "at the edge." However, this work has traditionally focused on neural network inference, rather than training, due to memory and compute limitations, especially in emerging non-volatile memory systems, where writes are energetically costly and reduce lifespan. Yet, the ability to train at the edge is becoming increasingly important as it enables real-time adaptability to device drift and environmental variation, user customization, and federated learning across devices. In this work, we address two key challenges for training on edge devices with non-volatile memory: low write density and low auxiliary memory. We present a low-rank training scheme that addresses these challenges while maintaining computational efficiency. We then demonstrate the technique on a representative convolutional neural network across several adaptation problems, where it out-performs standard SGD both in accuracy and in number of weight writes.

Podcast recommendation is a growing area of research that presents new challenges and opportunities. Individuals interact with podcasts in a way that is distinct from most other media; and primary to our concerns is distinct from music consumption. We show that successful and consistent recommendations can be made by viewing users as moving through the podcast library sequentially. Recommendations for future podcasts are then made using the trajectory taken from their sequential behavior. Our experiments provide evidence that user behavior is confined to local trends, and that listening patterns tend to be found over short sequences of similar types of shows. Ultimately, our approach gives a450%increase in effectiveness over a collaborative filtering baseline.

This paper presents a novel approach for job shop scheduling problems using deep reinforcement learning. To account for the complexity of production environment, we employ graph neural networks to model the various relations within production environments. Furthermore, we cast the JSSP as a distributed optimization problem in which learning agents are individually assigned to resources which allows for higher flexibility with respect to changing production environments. The proposed distributed RL agents used to optimize production schedules for single resources are running together with a co-simulation framework of the production environment to obtain the required amount of data. The approach is applied to a multi-robot environment and a complex production scheduling benchmark environment. The initial results underline the applicability and performance of the proposed method.

In the big data era, cloud-based machine learning as a service (MLaaS) has attracted considerable attention. However, when handling sensitive data, such as financial and medical data, a privacy issue emerges, because the cloud server can access clients' raw data. A common method of handling sensitive data in the cloud uses homomorphic encryption, which allows computation over encrypted data without decryption. Previous research usually adopted a low-degree polynomial mapping function, such as the square function, for data classification. However, this technique results in low classification accuracy. In this study, we seek to improve the classification accuracy for inference processing in a convolutional neural network (CNN) while using homomorphic encryption. We adopt an activation function that approximates Google's Swish activation function while using a fourth-order polynomial. We also adopt batch normalization to normalize the inputs for the Swish function to fit the input range to minimize the error. We implemented CNN inference labeling over homomorphic encryption using the Microsoft's Simple Encrypted Arithmetic Library for the Cheon-Kim-Kim-Song (CKKS) scheme. The experimental evaluations confirmed classification accuracies of 99.22% and 80.48% for MNIST and CIFAR-10, respectively, which entails 0.04% and 4.11% improvements, respectively, over previous methods.

Graph Neural Networks (GNNs) have become a promising approach to machine learning with graphs. Since existing GNN models are based on flat message-passing mechanisms, two limitations need to be tackled. One is costly in encoding global information on the graph topology. The other is failing to model meso- and macro-level semantics hidden in the graph, such as the knowledge of institutes and research areas in an academic collaboration network. To deal with these two issues, we propose a novel Hierarchical Message-Passing Graph Neural Networks framework. The main idea is to generate a hierarchical structure that re-organises all nodes in a graph into multi-level clusters, along with intra- and inter-level edge connections. The derived hierarchy not only creates shortcuts connecting far-away nodes so that global information can be efficiently accessed via message passing but also incorporates meso- and macro-level semantics into the learning of node embedding. We present the first model to implement this hierarchical message-passing mechanism, termed Hierarchical Community-aware Graph Neural Network (HC-GNN), based on hierarchical communities detected from the graph. Experiments conducted on eight datasets under transductive, inductive, and few-shot settings exhibit that HC-GNN can outperform state-of-the-art GNN models in network analysis tasks, including node classification, link prediction, and community detection.

Unmanned Aerial Systems (UAS) are being increasingly deployed for commercial, civilian, and military applications. The current UAS state-of-the-art still depends on a remote human controller with robust wireless links to perform several of these applications. The lack of autonomy restricts the domains of application and tasks for which a UAS can be deployed. Enabling autonomy and intelligence to the UAS will help overcome this hurdle and expand its use improving safety and efficiency. The exponential increase in computing resources and the availability of large amount of data in this digital era has led to the resurgence of machine learning from its last winter. Therefore, in this chapter, we discuss how some of the advances in machine learning, specifically deep learning and reinforcement learning can be leveraged to develop next-generation autonomous UAS. We first begin motivating this chapter by discussing the application, challenges, and opportunities of the current UAS in the introductory section. We then provide an overview of some of the key deep learning and reinforcement learning techniques discussed throughout this chapter. A key area of focus that will be essential to enable autonomy to UAS is computer vision. Accordingly, we discuss how deep learning approaches have been used to accomplish some of the basic tasks that contribute to providing UAS autonomy. Then we discuss how reinforcement learning is explored for using this information to provide autonomous control and navigation for UAS. Next, we provide the reader with directions to choose appropriate simulation suites and hardware platforms that will help to rapidly prototype novel machine learning based solutions for UAS. We additionally discuss the open problems and challenges pertaining to each aspect of developing autonomous UAS solutions to shine light on potential research areas.

Computer models play a key role in many scientific and engineering problems. One major source of uncertainty in computer model experiment is input parameter uncertainty. Computer model calibration is a formal statistical procedure to infer input parameters by combining information from model runs and observational data. The existing standard calibration framework suffers from inferential issues when the model output and observational data are high-dimensional dependent data such as large time series due to the difficulty in building an emulator and the non-identifiability between effects from input parameters and data-model discrepancy. To overcome these challenges we propose a new calibration framework based on a deep neural network (DNN) with long-short term memory layers that directly emulates the inverse relationship between the model output and input parameters. Adopting the 'learning with noise' idea we train our DNN model to filter out the effects from data model discrepancy on input parameter inference. We also formulate a new way to construct interval predictions for DNN using quantile regression to quantify the uncertainty in input parameter estimates. Through a simulation study and real data application with WRF-hydro model we show that our approach can yield accurate point estimates and well calibrated interval estimates for input parameters.

Increasing the depth of GCN, which is expected to permit more expressivity, is shown to incur performance detriment especially on node classification. The main cause of this lies in over-smoothing. The over-smoothing issue drives the output of GCN towards a space that contains limited distinguished information among nodes, leading to poor expressivity. Several works on refining the architecture of deep GCN have been proposed, but it is still unknown in theory whether or not these refinements are able to relieve over-smoothing. In this paper, we first theoretically analyze how general GCNs act with the increase in depth, including generic GCN, GCN with bias, ResGCN, and APPNP. We find that all these models are characterized by a universal process: all nodes converging to a cuboid. Upon this theorem, we propose DropEdge to alleviate over-smoothing by randomly removing a certain number of edges at each training epoch. Theoretically, DropEdge either reduces the convergence speed of over-smoothing or relieves the information loss caused by dimension collapse. Experimental evaluations on simulated dataset have visualized the difference in over-smoothing between different GCNs. Moreover, extensive experiments on several real benchmarks support that DropEdge consistently improves the performance on a variety of both shallow and deep GCNs.