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Artificial intelligence holds promise to improve materials discovery. GFlowNets are an emerging deep learning algorithm with many applications in AI-assisted discovery. By using GFlowNets, we generate porous reticular materials, such as metal organic frameworks and covalent organic frameworks, for applications in carbon dioxide capture. We introduce a new Python package (matgfn) to train and sample GFlowNets. We use matgfn to generate the matgfn-rm dataset of novel and diverse reticular materials with gravimetric surface area above 5000 m$^2$/g. We calculate single- and two-component gas adsorption isotherms for the top-100 candidates in matgfn-rm. These candidates are novel compared to the state-of-art ARC-MOF dataset and rank in the 90th percentile in terms of working capacity compared to the CoRE2019 dataset. We discover 15 materials outperforming all materials in CoRE2019.

Defect detection is a critical research area in artificial intelligence. Recently, synthetic data-based self-supervised learning has shown great potential on this task. Although many sophisticated synthesizing strategies exist, little research has been done to investigate the robustness of models when faced with different strategies. In this paper, we focus on this issue and find that existing methods are highly sensitive to them. To alleviate this issue, we present a Discrepancy Aware Framework (DAF), which demonstrates robust performance consistently with simple and cheap strategies across different anomaly detection benchmarks. We hypothesize that the high sensitivity to synthetic data of existing self-supervised methods arises from their heavy reliance on the visual appearance of synthetic data during decoding. In contrast, our method leverages an appearance-agnostic cue to guide the decoder in identifying defects, thereby alleviating its reliance on synthetic appearance. To this end, inspired by existing knowledge distillation methods, we employ a teacher-student network, which is trained based on synthesized outliers, to compute the discrepancy map as the cue. Extensive experiments on two challenging datasets prove the robustness of our method. Under the simple synthesis strategies, it outperforms existing methods by a large margin. Furthermore, it also achieves the state-of-the-art localization performance. Code is available at: //github.com/caiyuxuan1120/DAF.

Federated Learning (FL) is a well-known paradigm of distributed machine learning on mobile and IoT devices, which preserves data privacy and optimizes communication efficiency. To avoid the single point of failure problem in FL, decentralized federated learning (DFL) has been proposed to use peer-to-peer communication for model aggregation, which has been considered an attractive solution for machine learning tasks on distributed personal devices. However, this process is vulnerable to attackers who share false models and data. If there exists a group of malicious clients, they might harm the performance of the model by carrying out a poisoning attack. In addition, in DFL, clients often lack the incentives to contribute their computing powers to do model training. In this paper, we proposed Blockchain-based Decentralized Federated Learning (BDFL), which leverages a blockchain for decentralized model verification and auditing. BDFL includes an auditor committee for model verification, an incentive mechanism to encourage the participation of clients, a reputation model to evaluate the trustworthiness of clients, and a protocol suite for dynamic network updates. Evaluation results show that, with the reputation mechanism, BDFL achieves fast model convergence and high accuracy on real datasets even if there exist 30\% malicious clients in the system.

With the growing connectivity demands, Unmanned Aerial Vehicles (UAVs) have emerged as a prominent component in the deployment of Next Generation On-demand Wireless Networks. However, current UAV positioning solutions typically neglect the impact of Rate Adaptation (RA) algorithms or simplify its effect by considering ideal and non-implementable RA algorithms. This work proposes the Rate Adaptation aware RL-based Flying Gateway Positioning (RARL) algorithm, a positioning method for Flying Gateways that applies Deep Q-Learning, accounting for the dynamic data rate imposed by the underlying RA algorithm. The RARL algorithm aims to maximize the throughput of the flying wireless links serving one or more Flying Access Points, which in turn serve ground terminals. The performance evaluation of the RARL algorithm demonstrates that it is capable of taking into account the effect of the underlying RA algorithm and achieve the maximum throughput in all analysed static and mobile scenarios.

Text to speech (TTS), or speech synthesis, which aims to synthesize intelligible and natural speech given text, is a hot research topic in speech, language, and machine learning communities and has broad applications in the industry. As the development of deep learning and artificial intelligence, neural network-based TTS has significantly improved the quality of synthesized speech in recent years. In this paper, we conduct a comprehensive survey on neural TTS, aiming to provide a good understanding of current research and future trends. We focus on the key components in neural TTS, including text analysis, acoustic models and vocoders, and several advanced topics, including fast TTS, low-resource TTS, robust TTS, expressive TTS, and adaptive TTS, etc. We further summarize resources related to TTS (e.g., datasets, opensource implementations) and discuss future research directions. This survey can serve both academic researchers and industry practitioners working on TTS.

Relation prediction for knowledge graphs aims at predicting missing relationships between entities. Despite the importance of inductive relation prediction, most previous works are limited to a transductive setting and cannot process previously unseen entities. The recent proposed subgraph-based relation reasoning models provided alternatives to predict links from the subgraph structure surrounding a candidate triplet inductively. However, we observe that these methods often neglect the directed nature of the extracted subgraph and weaken the role of relation information in the subgraph modeling. As a result, they fail to effectively handle the asymmetric/anti-symmetric triplets and produce insufficient embeddings for the target triplets. To this end, we introduce a \textbf{C}\textbf{o}mmunicative \textbf{M}essage \textbf{P}assing neural network for \textbf{I}nductive re\textbf{L}ation r\textbf{E}asoning, \textbf{CoMPILE}, that reasons over local directed subgraph structures and has a vigorous inductive bias to process entity-independent semantic relations. In contrast to existing models, CoMPILE strengthens the message interactions between edges and entitles through a communicative kernel and enables a sufficient flow of relation information. Moreover, we demonstrate that CoMPILE can naturally handle asymmetric/anti-symmetric relations without the need for explosively increasing the number of model parameters by extracting the directed enclosing subgraphs. Extensive experiments show substantial performance gains in comparison to state-of-the-art methods on commonly used benchmark datasets with variant inductive settings.

Incompleteness is a common problem for existing knowledge graphs (KGs), and the completion of KG which aims to predict links between entities is challenging. Most existing KG completion methods only consider the direct relation between nodes and ignore the relation paths which contain useful information for link prediction. Recently, a few methods take relation paths into consideration but pay less attention to the order of relations in paths which is important for reasoning. In addition, these path-based models always ignore nonlinear contributions of path features for link prediction. To solve these problems, we propose a novel KG completion method named OPTransE. Instead of embedding both entities of a relation into the same latent space as in previous methods, we project the head entity and the tail entity of each relation into different spaces to guarantee the order of relations in the path. Meanwhile, we adopt a pooling strategy to extract nonlinear and complex features of different paths to further improve the performance of link prediction. Experimental results on two benchmark datasets show that the proposed model OPTransE performs better than state-of-the-art methods.

Incorporating knowledge graph into recommender systems has attracted increasing attention in recent years. By exploring the interlinks within a knowledge graph, the connectivity between users and items can be discovered as paths, which provide rich and complementary information to user-item interactions. Such connectivity not only reveals the semantics of entities and relations, but also helps to comprehend a user's interest. However, existing efforts have not fully explored this connectivity to infer user preferences, especially in terms of modeling the sequential dependencies within and holistic semantics of a path. In this paper, we contribute a new model named Knowledge-aware Path Recurrent Network (KPRN) to exploit knowledge graph for recommendation. KPRN can generate path representations by composing the semantics of both entities and relations. By leveraging the sequential dependencies within a path, we allow effective reasoning on paths to infer the underlying rationale of a user-item interaction. Furthermore, we design a new weighted pooling operation to discriminate the strengths of different paths in connecting a user with an item, endowing our model with a certain level of explainability. We conduct extensive experiments on two datasets about movie and music, demonstrating significant improvements over state-of-the-art solutions Collaborative Knowledge Base Embedding and Neural Factorization Machine.

With the rapid growth of knowledge bases (KBs), question answering over knowledge base, a.k.a. KBQA has drawn huge attention in recent years. Most of the existing KBQA methods follow so called encoder-compare framework. They map the question and the KB facts to a common embedding space, in which the similarity between the question vector and the fact vectors can be conveniently computed. This, however, inevitably loses original words interaction information. To preserve more original information, we propose an attentive recurrent neural network with similarity matrix based convolutional neural network (AR-SMCNN) model, which is able to capture comprehensive hierarchical information utilizing the advantages of both RNN and CNN. We use RNN to capture semantic-level correlation by its sequential modeling nature, and use an attention mechanism to keep track of the entities and relations simultaneously. Meanwhile, we use a similarity matrix based CNN with two-directions pooling to extract literal-level words interaction matching utilizing CNNs strength of modeling spatial correlation among data. Moreover, we have developed a new heuristic extension method for entity detection, which significantly decreases the effect of noise. Our method has outperformed the state-of-the-arts on SimpleQuestion benchmark in both accuracy and efficiency.

Automatically creating the description of an image using any natural languages sentence like English is a very challenging task. It requires expertise of both image processing as well as natural language processing. This paper discuss about different available models for image captioning task. We have also discussed about how the advancement in the task of object recognition and machine translation has greatly improved the performance of image captioning model in recent years. In addition to that we have discussed how this model can be implemented. In the end, we have also evaluated the performance of model using standard evaluation matrices.