Deep Learning models possess two key traits that, in combination, make their use in the real world a risky prospect. One, they do not typically generalize well outside of the distribution for which they were trained, and two, they tend to exhibit confident behavior regardless of whether or not they are producing meaningful outputs. While Deep Learning possesses immense power to solve realistic, high-dimensional problems, these traits in concert make it difficult to have confidence in their real-world applications. To overcome this difficulty, the task of Out-Of-Distribution (OOD) Detection has been defined, to determine when a model has received an input from outside of the distribution for which it is trained to operate. This paper introduces and examines a novel methodology, DOODLER, for OOD Detection, which directly leverages the traits which result in its necessity. By training a Variational Auto-Encoder (VAE) on the same data as another Deep Learning model, the VAE learns to accurately reconstruct In-Distribution (ID) inputs, but not to reconstruct OOD inputs, meaning that its failure state can be used to perform OOD Detection. Unlike other work in the area, DOODLER requires only very weak assumptions about the existence of an OOD dataset, allowing for more realistic application. DOODLER also enables pixel-wise segmentations of input images by OOD likelihood, and experimental results show that it matches or outperforms methodologies that operate under the same constraints.

State-of-the-art deep learning classifiers are heavily overparameterized with respect to the amount of training examples and observed to generalize well on "clean" data, but be highly susceptible to infinitesmal adversarial perturbations. In this paper, we identify an overparameterized linear ensemble, that uses the "lifted" Fourier feature map, that demonstrates both of these behaviors. The input is one-dimensional, and the adversary is only allowed to perturb these inputs and not the non-linear features directly. We find that the learned model is susceptible to adversaries in an intermediate regime where classification generalizes but regression does not. Notably, the susceptibility arises despite the absence of model mis-specification or label noise, which are commonly cited reasons for adversarial-susceptibility. These results are extended theoretically to a random-Fourier-sum setup that exhibits double-descent behavior. In both feature-setups, the adversarial vulnerability arises because of a phenomenon we term spatial localization: the predictions of the learned model are markedly more sensitive in the vicinity of training points than elsewhere. This sensitivity is a consequence of feature lifting and is reminiscent of Gibb's and Runge's phenomena from signal processing and functional analysis. Despite the adversarial susceptibility, we find that classification with these features can be easier than the more commonly studied "independent feature" models.

The progress in deep reinforcement learning (RL) is heavily driven by the availability of challenging benchmarks used for training agents. However, benchmarks that are widely adopted by the community are not explicitly designed for evaluating specific capabilities of RL methods. While there exist environments for assessing particular open problems in RL (such as exploration, transfer learning, unsupervised environment design, or even language-assisted RL), it is generally difficult to extend these to richer, more complex environments once research goes beyond proof-of-concept results. We present MiniHack, a powerful sandbox framework for easily designing novel RL environments. MiniHack is a one-stop shop for RL experiments with environments ranging from small rooms to complex, procedurally generated worlds. By leveraging the full set of entities and environment dynamics from NetHack, one of the richest grid-based video games, MiniHack allows designing custom RL testbeds that are fast and convenient to use. With this sandbox framework, novel environments can be designed easily, either using a human-readable description language or a simple Python interface. In addition to a variety of RL tasks and baselines, MiniHack can wrap existing RL benchmarks and provide ways to seamlessly add additional complexity.

We introduce a new family of neural network models called Convolutional Dynamic Alignment Networks (CoDA Nets), which are performant classifiers with a high degree of inherent interpretability. Their core building blocks are Dynamic Alignment Units (DAUs), which are optimised to transform their inputs with dynamically computed weight vectors that align with task-relevant patterns. As a result, CoDA Nets model the classification prediction through a series of input-dependent linear transformations, allowing for linear decomposition of the output into individual input contributions. Given the alignment of the DAUs, the resulting contribution maps align with discriminative input patterns. These model-inherent decompositions are of high visual quality and outperform existing attribution methods under quantitative metrics. Further, CoDA Nets constitute performant classifiers, achieving on par results to ResNet and VGG models on e.g. CIFAR-10 and TinyImagenet. Lastly, CoDA Nets can be combined with conventional neural network models to yield powerful classifiers that more easily scale to complex datasets such as Imagenet whilst exhibiting an increased interpretable depth, i.e., the output can be explained well in terms of contributions from intermediate layers within the network.

With COVID-19 affecting every country globally and changing everyday life, the ability to forecast the spread of the disease is more important than any previous epidemic. The conventional methods of disease-spread modeling, compartmental models, are based on the assumption of spatiotemporal homogeneity of the spread of the virus, which may cause forecasting to underperform, especially at high spatial resolutions. In this paper we approach the forecasting task with an alternative technique - spatiotemporal machine learning. We present COVID-LSTM, a data-driven model based on a Long Short-term Memory deep learning architecture for forecasting COVID-19 incidence at the county-level in the US. We use the weekly number of new positive cases as temporal input, and hand-engineered spatial features from Facebook movement and connectedness datasets to capture the spread of the disease in time and space. COVID-LSTM outperforms the COVID-19 Forecast Hub's Ensemble model (COVIDhub-ensemble) on our 17-week evaluation period, making it the first model to be more accurate than the COVIDhub-ensemble over one or more forecast periods. Over the 4-week forecast horizon, our model is on average 50 cases per county more accurate than the COVIDhub-ensemble. We highlight that the underutilization of data-driven forecasting of disease spread prior to COVID-19 is likely due to the lack of sufficient data available for previous diseases, in addition to the recent advances in machine learning methods for spatiotemporal forecasting. We discuss the impediments to the wider uptake of data-driven forecasting, and whether it is likely that more deep learning-based models will be used in the future.

Well-known activation functions like ReLU or Leaky ReLU are non-differentiable at the origin. Over the years, many smooth approximations of ReLU have been proposed using various smoothing techniques. We propose new smooth approximations of a non-differentiable activation function by convolving it with approximate identities. In particular, we present smooth approximations of Leaky ReLU and show that they outperform several well-known activation functions in various datasets and models. We call this function Smooth Activation Unit (SAU). Replacing ReLU by SAU, we get 5.12% improvement with ShuffleNet V2 (2.0x) model on CIFAR100 dataset.

The Interaction between Drugs and Targets (DTI) in human body plays a crucial role in biomedical science and applications. As millions of papers come out every year in the biomedical domain, automatically discovering DTI knowledge from biomedical literature, which are usually triplets about drugs, targets and their interaction, becomes an urgent demand in the industry. Existing methods of discovering biological knowledge are mainly extractive approaches that often require detailed annotations (e.g., all mentions of biological entities, relations between every two entity mentions, etc.). However, it is difficult and costly to obtain sufficient annotations due to the requirement of expert knowledge from biomedical domains. To overcome these difficulties, we explore the first end-to-end solution for this task by using generative approaches. We regard the DTI triplets as a sequence and use a Transformer-based model to directly generate them without using the detailed annotations of entities and relations. Further, we propose a semi-supervised method, which leverages the aforementioned end-to-end model to filter unlabeled literature and label them. Experimental results show that our method significantly outperforms extractive baselines on DTI discovery. We also create a dataset, KD-DTI, to advance this task and will release it to the community.

In this article, we tackle the math word problem, namely, automatically answering a mathematical problem according to its textual description. Although recent methods have demonstrated their promising results, most of these methods are based on template-based generation scheme which results in limited generalization capability. To this end, we propose a novel human-like analogical learning method in a recall and learn manner. Our proposed framework is composed of modules of memory, representation, analogy, and reasoning, which are designed to make a new exercise by referring to the exercises learned in the past. Specifically, given a math word problem, the model first retrieves similar questions by a memory module and then encodes the unsolved problem and each retrieved question using a representation module. Moreover, to solve the problem in a way of analogy, an analogy module and a reasoning module with a copy mechanism are proposed to model the interrelationship between the problem and each retrieved question. Extensive experiments on two well-known datasets show the superiority of our proposed algorithm as compared to other state-of-the-art competitors from both overall performance comparison and micro-scope studies.

Context: Stack Overflow is very helpful for software developers who are seeking answers to programming problems. Previous studies have shown that a growing number of questions are of low-quality and thus obtain less attention from potential answerers. Gao et al. proposed a LSTM-based model (i.e., BiLSTM-CC) to automatically generate question titles from the code snippets to improve the question quality. However, only using the code snippets in question body cannot provide sufficient information for title generation, and LSTMs cannot capture the long-range dependencies between tokens. Objective: We propose CCBERT, a deep learning based novel model to enhance the performance of question title generation by making full use of the bi-modal information of the entire question body. Methods: CCBERT follows the encoder-decoder paradigm, and uses CodeBERT to encode the question body into hidden representations, a stacked Transformer decoder to generate predicted tokens, and an additional copy attention layer to refine the output distribution. Both the encoder and decoder perform the multi-head self-attention operation to better capture the long-range dependencies. We build a dataset containing more than 120,000 high-quality questions filtered from the data officially published by Stack Overflow to verify the effectiveness of the CCBERT model. Results: CCBERT achieves a better performance on the dataset, and especially outperforms BiLSTM-CC and a multi-purpose pre-trained model (BART) by 14% and 4% on average, respectively. Experiments on both code-only and low-resource datasets also show the superiority of CCBERT with less performance degradation, which are 40% and 13.5% for BiLSTM-CC, while 24% and 5% for CCBERT, respectively.

While deep neural networks have achieved great success on the graph analysis, recent works have shown that they are also vulnerable to adversarial attacks where fraudulent users can fool the model with a limited number of queries. Compared with adversarial attacks on image classification, performing adversarial attack on graphs is challenging because of the discrete and non-differential nature of a graph. To address these issues, we proposed Cluster Attack, a novel adversarial attack by introducing a set of fake nodes to the original graph which can mislead the classification on certain victim nodes. Specifically, we query the victim model for each victim node to acquire their most adversarial feature, which is related to how the fake node's feature will affect the victim nodes. We further cluster the victim nodes into several subgroups according to their most adversarial features such that we can reduce the searching space. Moreover, our attack is performed in a practical and unnoticeable manner: (1) We protect the predicted labels of nodes which we are not aimed for from being changed during attack. (2) We attack by introducing fake nodes into the original graph without changing existing links and features. (3) We attack with only partial information about the attacked graph, i.e., by leveraging the information of victim nodes along with their neighbors within $k$-hop instead of the whole graph. (4) We perform attack with a limited number of queries about the predicted scores of the model in a black-box manner, i.e., without model architecture and parameters. Extensive experiments demonstrate the effectiveness of our method in terms of the success rate of attack.