Molecular representations play critical roles in researching drug design and properties, and effective methods are beneficial to assisting in the calculation of molecules and solving related problem in drug discovery. In previous years, most of the traditional molecular representations are based on hand-crafted features and rely heavily on biological experimentations, which are often costly and time consuming. However, recent researches achieve promising results using machine learning on various domains. In this article, we present a novel method named Smi2Vec-BiGRU that is designed for learning atoms and solving the single- and multitask binary classification problems in the field of drug discovery, which are the basic and also key problems in this field. Specifically, our approach transforms the molecule data in the SMILES format into a set of sample vectors and then feeds them into the bidirectional gated recurrent unit neural networks for training, which learns low-dimensional vector representations for molecular drug. We conduct extensive experiments on several widely used benchmarks including Tox21, SIDER and ClinTox. The experimental results show that our approach can achieve state-of-the-art performance on these benchmarking datasets, demonstrating the feasibility and competitiveness of our proposed approach.

Despite that convolutional neural networks (CNNs) have shown high-quality reconstruction for single image dehazing, recovering natural and realistic dehazed results remains a challenging problem due to semantic confusion in the hazy scene. In this article, we show that it is possible to recover textures faithfully by incorporating semantic prior into dehazing network since objects in haze-free images tend to show certain shapes, textures, and colors. We propose a semantic-aware dehazing network (SDNet) in which the semantic prior is taken as a color constraint for dehazing, benefiting the acquisition of a reasonable scene configuration. In addition, we design a densely connected block to capture global and local information for dehazing and semantic prior estimation. To eliminate the unnatural appearance of some objects, we propose to fuse the features from shallow and deep layers adaptively. Experimental results demonstrate that our proposed model performs favorably against the state-of-the-art single image dehazing approaches.

Power-aware task scheduling on processors has been a research hotspot in computing systems. In this paper, we study the problem of minimizing the schedule length for energy consumption constrained parallel applications on heterogeneous computing systems. For this problem, existing work adopts a policy that preassigns the minimum energy consumption for each unassigned task. Nevertheless, our analysis reveals that, such a preassignment policy could be unfair for the low priority tasks, and it may not achieve an optimistic schedule length. Thereby, we propose a new task scheduling algorithm that suggests a weight-based mechanism to preassign energy consumption for unassigned tasks, and we provide the rigorous proof to show its feasibility. Further, we show that this idea can be extended to solve reliability maximization problems with energy consumption constraint or with both deadline and energy consumption constraints. We have conducted extensive experiments based on real parallel applications. The experimental results consistently demonstrate that our proposed algorithms can achieve favourable performance, compared to state-of-the-art algorithms.

Sentence similarity modeling lies at the core of many natural language processing applications, and thus has received much attention. Owing to the success of word embeddings, recently, popular neural network methods achieved sentence embedding. Most of them focused on learning semantic information and modeling it as a continuous vector, yet the syntactic information of sentences has not been fully exploited. On the other hand, prior works have shown the benefits of structured trees that include syntactic information, while few methods in this branch utilized the advantages of word embeddings and another powerful technique - attention weight mechanism. This paper suggests to absorb their advantages by merging these techniques in a unified structure, dubbed as ACV-tree. Meanwhile, this paper develops a new tree kernel, known as ACVT kernel, that is tailored for sentence similarity measure based on the proposed structure. The experimental results, based on 19 widely-used STS datasets, demonstrate that our model is effective and competitive, compared against state-of-the-art models. Additionally, the experimental results validate that many attention weight mechanisms and word embedding techniques can be seamlessly integrated into our model, demonstrating the robustness and universality of our model.

Detecting anomalies in logs is crucial for service and system management, since logs are widely used to record the runtime status, and are often the only data available for postmortem analysis. Since anomalies are usually rare in real-world services and systems, a common and feasible practice is to mine or learn normal patterns from logs, and deem those violating the normal patterns as anomalies. As log sequences are a kind of time series data, RNN (Recurrent Neural Network) and its variants have been extensively employed to capture the normal patterns. Nevertheless, the sequential nature of RNN and its variants makes them hard to parallelize and capture long-term dependencies, which may hinder their performance. To address this issue, in this paper we propose Loader, a novel semi-supervised lo g a nomaly d etector based on Transform er , because the Transformer architecture eschews recurrence and is able to draw global dependencies. Loader leverages the Transformer encoder to capture normal patterns from normal log sequences. When detecting, it gives a set of candidate log templates, that may appear after the input log substring under normal conditions. If the template of the actual next log message is not within the candidate set, this implies an anomaly. Previous similar methods select the most possible $k$ log templates as candidates in any case, so the performance is sensitive to $k$ , and it is nontrivial to pick a proper $k$ . To alleviate this, we design a more flexible and robust ‘top- $p$ ’ algorithm, which determines the candidate set based on the cumulative probability of the most possible log templates. Extensive experiments are conducted based on three public log datasets, the experimental results validate the effectiveness and competitiveness of our approach.

Rain removal from a single image is a challenging problem and has attracted much attention in recent years. In this paper, we revisit the single image deraining problem, and present a novel solution. The central idea of our solution is to merge the merits of two-phase processing methods and the Fuzzy Broad Learning System (FBLS). Specifically, our solution first uses the dehazing algorithm to preprocess the input rainy image and separates it into the detail layer and the base layer. After that, it puts the Y-channel image of the detail layer into the FBLS to obtain the derained Y channel image, which is then combined with the Cb and Cr channel images to obtain the derained detail layer. Later, it fuses the derained detail layer and the base layer to get a preliminary derained image. Finally, it superimposes the details extracted from the dehazed image with some transparency on the preliminary result, obtaining the final result. Experimental results based on both real and synthetic rainy images demonstrate that our proposed solution can outperform several state-of-the-art algorithms, while it consumes much less running time and training time, compared against the competitors.