We investigate the graph-based convolutional neural network approach for predicting and ranking gas adsorption properties of crystalline Metal-Organic Framework (MOF) adsorbents for application in post-combustion capture of $\textrm{CO}_2$. Our model is based solely on standard structural input files containing atomistic descriptions of the adsorbent material candidates. We construct novel methodological extensions to match the prediction accuracy of classical machine learning models that were built with hundreds of features at much higher computational cost. Our approach can be more broadly applied to optimize gas capture processes at industrial scale.

Interactions based on automatic speech recognition (ASR) have become widely used, with speech input being increasingly utilized to create documents. However, as there is no easy way to distinguish between commands being issued and text required to be input in speech, misrecognitions are difficult to identify and correct, meaning that documents need to be manually edited and corrected. The input of symbols and commands is also challenging because these may be misrecognized as text letters. To address these problems, this study proposes a speech interaction method called DualVoice, by which commands can be input in a whispered voice and letters in a normal voice. The proposed method does not require any specialized hardware other than a regular microphone, enabling a complete hands-free interaction. The method can be used in a wide range of situations where speech recognition is already available, ranging from text input to mobile/wearable computing. Two neural networks were designed in this study, one for discriminating normal speech from whispered speech, and the second for recognizing whisper speech. A prototype of a text input system was then developed to show how normal and whispered voice can be used in speech text input. Other potential applications using DualVoice are also discussed.

Goal oriented dialogue systems were originally designed as a natural language interface to a fixed data-set of entities that users might inquire about, further described by domain, slots, and values. As we move towards adaptable dialogue systems where knowledge about domains, slots, and values may change, there is an increasing need to automatically extract these terms from raw dialogues or related non-dialogue data on a large scale. In this paper, we take an important step in this direction by exploring different features that can enable systems to discover realizations of domains, slots, and values in dialogues in a purely data-driven fashion. The features that we examine stem from word embeddings, language modelling features, as well as topological features of the word embedding space. To examine the utility of each feature set, we train a seed model based on the widely used MultiWOZ data-set. Then, we apply this model to a different corpus, the Schema-Guided Dialogue data-set. Our method outperforms the previously proposed approach that relies solely on word embeddings. We also demonstrate that each of the features is responsible for discovering different kinds of content. We believe our results warrant further research towards ontology induction, and continued harnessing of topological data analysis for dialogue and natural language processing research.

Multi-hop reasoning requires aggregating multiple documents to answer a complex question. Existing methods usually decompose the multi-hop question into simpler single-hop questions to solve the problem for illustrating the explainable reasoning process. However, they ignore grounding on the supporting facts of each reasoning step, which tends to generate inaccurate decompositions. In this paper, we propose an interpretable stepwise reasoning framework to incorporate both single-hop supporting sentence identification and single-hop question generation at each intermediate step, and utilize the inference of the current hop for the next until reasoning out the final result. We employ a unified reader model for both intermediate hop reasoning and final hop inference and adopt joint optimization for more accurate and robust multi-hop reasoning. We conduct experiments on two benchmark datasets HotpotQA and 2WikiMultiHopQA. The results show that our method can effectively boost performance and also yields a better interpretable reasoning process without decomposition supervision.

Many problems in computer vision and machine learning can be cast as learning on hypergraphs that represent higher-order relations. Recent approaches for hypergraph learning extend graph neural networks based on message passing, which is simple yet fundamentally limited in modeling long-range dependencies and expressive power. On the other hand, tensor-based equivariant neural networks enjoy maximal expressiveness, but their application has been limited in hypergraphs due to heavy computation and strict assumptions on fixed-order hyperedges. We resolve these problems and present Equivariant Hypergraph Neural Network (EHNN), the first attempt to realize maximally expressive equivariant layers for general hypergraph learning. We also present two practical realizations of our framework based on hypernetworks (EHNN-MLP) and self-attention (EHNN-Transformer), which are easy to implement and theoretically more expressive than most message passing approaches. We demonstrate their capability in a range of hypergraph learning problems, including synthetic k-edge identification, semi-supervised classification, and visual keypoint matching, and report improved performances over strong message passing baselines. Our implementation is available at https://github.com/jw9730/ehnn.

Fall detection for the elderly is a well-researched problem with several proposed solutions, including wearable and non-wearable techniques. While the existing techniques have excellent detection rates, their adoption by the target population is lacking due to the need for wearing devices and user privacy concerns. Our paper provides a novel, non-wearable, non-intrusive, and scalable solution for fall detection, deployed on an autonomous mobile robot equipped with a microphone. The proposed method uses ambient sound input recorded in people's homes. We specifically target the bathroom environment as it is highly prone to falls and where existing techniques cannot be deployed without jeopardizing user privacy. The present work develops a solution based on a Transformer architecture that takes noisy sound input from bathrooms and classifies it into fall/no-fall class with an accuracy of 0.8673. Further, the proposed approach is extendable to other indoor environments, besides bathrooms and is suitable for deploying in elderly homes, hospitals, and rehabilitation facilities without requiring the user to wear any device or be constantly "watched" by the sensors.

Republican Rep. Greg Steube weighs in on the U.S.'s announcement for an additional $775 million in new Ukraine military aid, along with the impact of illegal immigration on Florida's coastal border. The U.S. reportedly is set to provide Ukraine with M982 Excalibur munitions. "These precision-guided munitions will aid Ukraine's counter-offensive against Russia, which is focused on targeting ammunition depots and military installations," foreign relations expert, Samuel Ramani, tweeted. "Scan Eagle surveillance drones, which the U.S. also provides, will amplify their impact." The Ukrainian outlet appeared to draw from reporting by Politico, tweeting: "A source close to the deliberations of the latest military aid package shared with Politico that the M982 Excalibur rounds, traveling up to 70km, will be sent to Ukraine'at some point in the future.'"

Anti-cancer drug discoveries have been serendipitous, we sought to present the Open Molecular Graph Learning Benchmark, named CandidateDrug4Cancer, a challenging and realistic benchmark dataset to facilitate scalable, robust, and reproducible graph machine learning research for anti-cancer drug discovery. CandidateDrug4Cancer dataset encompasses multiple most-mentioned 29 targets for cancer, covering 54869 cancer-related drug molecules which are ranged from pre-clinical, clinical and FDA-approved. Besides building the datasets, we also perform benchmark experiments with effective Drug Target Interaction (DTI) prediction baselines using descriptors and expressive graph neural networks. Experimental results suggest that CandidateDrug4Cancer presents significant challenges for learning molecular graphs and targets in practical application, indicating opportunities for future researches on developing candidate drugs for treating cancers.

Time series models often deal with extreme events and anomalies, both prevalent in real-world datasets. Such models often need to provide careful probabilistic forecasting, which is vital in risk management for extreme events such as hurricanes and pandemics. However, it is challenging to automatically detect and learn to use extreme events and anomalies for large-scale datasets, which often require manual effort. Hence, we propose an anomaly-aware forecast framework that leverages the previously seen effects of anomalies to improve its prediction accuracy during and after the presence of extreme events. Specifically, the framework automatically extracts anomalies and incorporates them through an attention mechanism to increase its accuracy for future extreme events. Moreover, the framework employs a dynamic uncertainty optimization algorithm that reduces the uncertainty of forecasts in an online manner. The proposed framework demonstrated consistent superior accuracy with less uncertainty on three datasets with different varieties of anomalies over the current prediction models.

This article proposes Convolutional Neural Network-based Auto Encoder (CNN-AE) to predict location-dependent rate and coverage probability of a network from its topology. We train the CNN utilising BS location data of India, Brazil, Germany, and the USA and compare its performance with stochastic geometry (SG) based analytical models. In comparison to the best-fitted SG-based model, CNN-AE improves the coverage and rate prediction errors by a margin of as large as $40\%$ and $25\%$ respectively. As an application, we propose a low complexity, provably convergent algorithm that, using trained CNN-AE, can compute locations of new BSs that need to be deployed in a network in order to satisfy pre-defined spatially heterogeneous performance goals.