Building in silico models to predict chemical properties and activities is a crucial step in drug discovery. However, drug discovery projects are often characterized by limited labeled data, hindering the applications of deep learning in this setting. Meanwhile advances in meta-learning have enabled state-of-the-art performances in few-shot learning benchmarks, naturally prompting the question: Can meta-learning improve deep learning performance in low-resource drug discovery projects? In this work, we assess the efficiency of the Model-Agnostic Meta-Learning (MAML) algorithm - along with its variants FO-MAML and ANIL - at learning to predict chemical properties and activities. Using the ChEMBL20 dataset to emulate low-resource settings, our benchmark shows that meta-initializations perform comparably to or outperform multi-task pre-training baselines on 16 out of 20 in-distribution tasks and on all out-of-distribution tasks, providing an average improvement in AUPRC of 7.2% and 14.9% respectively. Finally, we observe that meta-initializations consistently result in the best performing models across fine-tuning sets with $k \in \{16, 32, 64, 128, 256\}$ instances.

An autoencoder is a specific type of a neural network, which is mainlydesigned to encode the input into a compressed and meaningful representation, andthen decode it back such that the reconstructed input is similar as possible to theoriginal one. This chapter surveys the different types of autoencoders that are mainlyused today. It also describes various applications and use-cases of autoencoders.

Malware applications typically use a command and control (C&C) server to manage bots to perform malicious activities. Domain Generation Algorithms (DGAs) are popular methods for generating pseudo-random domain names that can be used to establish a communication between an infected bot and the C&C server. In recent years, machine learning based systems have been widely used to detect DGAs. There are several well known state-of-the-art classifiers in the literature that can detect DGA domain names in real-time applications with high predictive performance. However, these DGA classifiers are highly vulnerable to adversarial attacks in which adversaries purposely craft domain names to evade DGA detection classifiers. In our work, we focus on hardening DGA classifiers against adversarial attacks. To this end, we train and evaluate state-of-the-art deep learning and random forest (RF) classifiers for DGA detection using side information that is harder for adversaries to manipulate than the domain name itself. Additionally, the side information features are selected such that they are easily obtainable in practice to perform inline DGA detection. The performance and robustness of these models is assessed by exposing them to one day of real-traffic data as well as domains generated by adversarial attack algorithms. We found that the DGA classifiers that rely on both the domain name and side information have high performance and are more robust against adversaries.

Since deep neural networks were developed, they have made huge contributions to peoples everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this achievement, the design and training of neural networks are still challenging and unpredictable procedures that have been alleged to be alchemy. To lower the technical thresholds for common users, automated hyper-parameter optimization (HPO) has become a popular topic in both academic and industrial areas. This paper provides a review of the most essential topics on HPO. The first section introduces the key hyper-parameters related to model training and structure, and discusses their importance and methods to define the value range. Then, the research focuses on major optimization algorithms and their applicability, covering their efficiency and accuracy especially for deep learning networks. This study next reviews major services and tool-kits for HPO, comparing their support for state-of-the-art searching algorithms, feasibility with major deep-learning frameworks, and extensibility for new modules designed by users. The paper concludes with problems that exist when HPO is applied to deep learning, a comparison between optimization algorithms, and prominent approaches for model evaluation with limited computational resources.

Machine learning methods trained on raw numerical time series data exhibit fundamental limitations such as a high sensitivity to the hyper parameters and even to the initialization of random weights. A combination of a recurrent neural network with a dimension-reducing symbolic representation is proposed and applied for the purpose of time series forecasting. It is shown that the symbolic representation can help to alleviate some of the aforementioned problems and, in addition, might allow for faster training without sacrificing the forecast performance.

Deep domain adaptation models learn a neural network in an unlabeled target domain by leveraging the knowledge from a labeled source domain. This can be achieved by learning a domain-invariant feature space. Though the learned representations are separable in the source domain, they usually have a large variance and samples with different class labels tend to overlap in the target domain, which yields suboptimal adaptation performance. To fill the gap, a Fisher loss is proposed to learn discriminative representations which are within-class compact and between-class separable. Experimental results on two benchmark datasets show that the Fisher loss is a general and effective loss for deep domain adaptation. Noticeable improvements are brought when it is used together with widely adopted transfer criteria, including MMD, CORAL and domain adversarial loss. For example, an absolute improvement of 6.67% in terms of the mean accuracy is attained when the Fisher loss is used together with the domain adversarial loss on the Office-Home dataset.

Neural networks of ads systems usually take input from multiple resources, e.g., query-ad relevance, ad features and user portraits. These inputs are encoded into one-hot or multi-hot binary features, with typically only a tiny fraction of nonzero feature values per example. Deep learning models in online advertising industries can have terabyte-scale parameters that do not fit in the GPU memory nor the CPU main memory on a computing node. For example, a sponsored online advertising system can contain more than $10^{11}$ sparse features, making the neural network a massive model with around 10 TB parameters. In this paper, we introduce a distributed GPU hierarchical parameter server for massive scale deep learning ads systems. We propose a hierarchical workflow that utilizes GPU High-Bandwidth Memory, CPU main memory and SSD as 3-layer hierarchical storage. All the neural network training computations are contained in GPUs. Extensive experiments on real-world data confirm the effectiveness and the scalability of the proposed system. A 4-node hierarchical GPU parameter server can train a model more than 2X faster than a 150-node in-memory distributed parameter server in an MPI cluster. In addition, the price-performance ratio of our proposed system is 4-9 times better than an MPI-cluster solution.

Deep Neural Network (DNN) has been showing great potential in kinds of real-world applications such as fraud detection and distress prediction. Meanwhile, data isolation has become a serious problem currently, i.e., different parties cannot share data with each other. To solve this issue, most research leverages cryptographic techniques to train secure DNN models for multi-parties without compromising their private data. Although such methods have strong security guarantee, they are difficult to scale to deep networks and large datasets due to its high communication and computation complexities. To solve the scalability of the existing secure Deep Neural Network (DNN) in data isolation scenarios, in this paper, we propose an industrial scale privacy preserving neural network learning paradigm, which is secure against semi-honest adversaries. Our main idea is to split the computation graph of DNN into two parts, i.e., the computations related to private data are performed by each party using cryptographic techniques, and the rest computations are done by a neutral server with high computation ability. We also present a defender mechanism for further privacy protection. We conduct experiments on real-world fraud detection dataset and financial distress prediction dataset, the encouraging results demonstrate the practicalness of our proposal.

In this work, we investigate the application of deep learning methods for computed tomography in the context of having a low-data regime. As motivation, we review some of the existing approaches and obtain quantitative results after training them with different amounts of data. We find that the learned primal-dual has an outstanding performance in terms of reconstruction quality and data efficiency. However, in general, end-to-end learned methods have two issues: a) lack of classical guarantees in inverse problems and b) lack of generalization when not trained with enough data. To overcome these issues, we bring in the deep image prior approach in combination with classical regularization. The proposed methods improve the state-of-the-art results in the low data-regime.

Recent advances in deep reinforcement learning require a large amount of training data and generally result in representations that are often over specialized to the target task. In this work, we present a methodology to study the underlying potential causes for this specialization. We use the recently proposed projection weighted Canonical Correlation Analysis (PWCCA) to measure the similarity of visual representations learned in the same environment by performing different tasks. We then leverage our proposed methodology to examine the task dependence of visual representations learned on related but distinct embodied navigation tasks. Surprisingly, we find that slight differences in task have no measurable effect on the visual representation for both SqueezeNet and ResNet architectures. We then empirically demonstrate that visual representations learned on one task can be effectively transferred to a different task.