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Organic optoelectronic materials are a promising avenue for next-generation electronic devices due to their solution processability, mechanical flexibility, and tunable electronic properties. In particular, near-infrared (NIR) sensitive molecules have unique applications in night-vision equipment and biomedical imaging. Molecular engineering has played a crucial role in developing non-fullerene acceptors (NFAs) such as the Y-series molecules, which have significantly improved the power conversion efficiency (PCE) of solar cells and enhanced spectral coverage in the NIR region. However, systematically designing molecules with targeted optoelectronic properties while ensuring synthetic accessibility remains a challenge. To address this, we leverage structural priors from domain-focused, patent-mined datasets of organic electronic molecules using a symmetry-aware fragment decomposition algorithm and a fragment-constrained Monte Carlo Tree Search (MCTS) generator. Our approach generates candidates that retain symmetry constraints from the patent dataset, while also exhibiting red-shifted absorption, as validated by TD-DFT calculations.

We introduce a class of copulas that we call Principal Component Copulas (PCCs). This class combines the strong points of copula-based techniques with principal component-based models, which results in flexibility when modelling tail dependence along the most important directions in high-dimensional data. We obtain theoretical results for PCCs that are important for practical applications. In particular, we derive tractable expressions for the high-dimensional copula density, which can be represented in terms of characteristic functions. We also develop algorithms to perform Maximum Likelihood and Generalized Method of Moment estimation in high-dimensions and show very good performance in simulation experiments. Finally, we apply the copula to the international stock market in order to study systemic risk. We find that PCCs lead to excellent performance on measures of systemic risk due to their ability to distinguish between parallel market movements, which increase systemic risk, and orthogonal movements, which reduce systemic risk. As a result, we consider the PCC promising for internal capital models, which financial institutions use to protect themselves against systemic risk.

Up-to techniques' represent enhancements of the coinduction proof method and are widely used on coinductive behavioural relations such as bisimilarity. Abstract formulations of these coinductive techniques exist, using fixed-points or category theory. A proposal has been recently put forward for transporting the enhancements onto the concrete realms of inductive behavioural relations, i.e., relations defined from inductive observables, such as traces or enriched forms of traces. The abstract meaning of such 'inductive enhancements', however, has not been explored. In this paper, we review the theory, and then propose an abstract account of it, using fixed-point theory in complete lattices.

Tractor-trailer wheeled robots need to perform comprehensive perception tasks to enhance their operations in areas such as logistics parks and long-haul transportation. The perception of these robots face three major challenges: the relative pose change between the tractor and trailer, the asynchronous vibrations between the tractor and trailer, and the significant camera parallax caused by the large size. In this paper, we propose a novel Unified Vertex Motion Video Stabilization and Stitching framework designed for unknown environments. To establish the relationship between stabilization and stitching, the proposed Unified Vertex Motion framework comprises the Stitching Motion Field, which addresses relative positional change, and the Stabilization Motion Field, which tackles asynchronous vibrations. Then, recognizing the heterogeneity of optimization functions required for stabilization and stitching, a weighted cost function approach is proposed to address the problem of camera parallax. Furthermore, this framework has been successfully implemented in real tractor-trailer wheeled robots. The proposed Unified Vertex Motion Video Stabilization and Stitching method has been thoroughly tested in various challenging scenarios, demonstrating its accuracy and practicality in real-world robot tasks.

Graph Convolutional Networks (GCNs) have been widely applied in various fields due to their significant power on processing graph-structured data. Typical GCN and its variants work under a homophily assumption (i.e., nodes with same class are prone to connect to each other), while ignoring the heterophily which exists in many real-world networks (i.e., nodes with different classes tend to form edges). Existing methods deal with heterophily by mainly aggregating higher-order neighborhoods or combing the immediate representations, which leads to noise and irrelevant information in the result. But these methods did not change the propagation mechanism which works under homophily assumption (that is a fundamental part of GCNs). This makes it difficult to distinguish the representation of nodes from different classes. To address this problem, in this paper we design a novel propagation mechanism, which can automatically change the propagation and aggregation process according to homophily or heterophily between node pairs. To adaptively learn the propagation process, we introduce two measurements of homophily degree between node pairs, which is learned based on topological and attribute information, respectively. Then we incorporate the learnable homophily degree into the graph convolution framework, which is trained in an end-to-end schema, enabling it to go beyond the assumption of homophily. More importantly, we theoretically prove that our model can constrain the similarity of representations between nodes according to their homophily degree. Experiments on seven real-world datasets demonstrate that this new approach outperforms the state-of-the-art methods under heterophily or low homophily, and gains competitive performance under homophily.

Deployment of Internet of Things (IoT) devices and Data Fusion techniques have gained popularity in public and government domains. This usually requires capturing and consolidating data from multiple sources. As datasets do not necessarily originate from identical sensors, fused data typically results in a complex data problem. Because military is investigating how heterogeneous IoT devices can aid processes and tasks, we investigate a multi-sensor approach. Moreover, we propose a signal to image encoding approach to transform information (signal) to integrate (fuse) data from IoT wearable devices to an image which is invertible and easier to visualize supporting decision making. Furthermore, we investigate the challenge of enabling an intelligent identification and detection operation and demonstrate the feasibility of the proposed Deep Learning and Anomaly Detection models that can support future application that utilizes hand gesture data from wearable devices.

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.

Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis, thereby allowing manual manipulation in predicting the final answer.

Detecting carried objects is one of the requirements for developing systems to reason about activities involving people and objects. We present an approach to detect carried objects from a single video frame with a novel method that incorporates features from multiple scales. Initially, a foreground mask in a video frame is segmented into multi-scale superpixels. Then the human-like regions in the segmented area are identified by matching a set of extracted features from superpixels against learned features in a codebook. A carried object probability map is generated using the complement of the matching probabilities of superpixels to human-like regions and background information. A group of superpixels with high carried object probability and strong edge support is then merged to obtain the shape of the carried object. We applied our method to two challenging datasets, and results show that our method is competitive with or better than the state-of-the-art.

Recommender System (RS) is a hot area where artificial intelligence (AI) techniques can be effectively applied to improve performance. Since the well-known Netflix Challenge, collaborative filtering (CF) has become the most popular and effective recommendation method. Despite their success in CF, various AI techniques still have to face the data sparsity and cold start problems. Previous works tried to solve these two problems by utilizing auxiliary information, such as social connections among users and meta-data of items. However, they process different types of information separately, leading to information loss. In this work, we propose to utilize Heterogeneous Information Network (HIN), which is a natural and general representation of different types of data, to enhance CF-based recommending methods. HIN-based recommender systems face two problems: how to represent high-level semantics for recommendation and how to fuse the heterogeneous information to recommend. To address these problems, we propose to applying meta-graph to HIN-based RS and solve the information fusion problem with a "matrix factorization (MF) + factorization machine (FM)" framework. For the "MF" part, we obtain user-item similarity matrices from each meta-graph and adopt low-rank matrix approximation to get latent features for both users and items. For the "FM" part, we propose to apply FM with Group lasso (FMG) on the obtained features to simultaneously predict missing ratings and select useful meta-graphs. Experimental results on two large real-world datasets, i.e., Amazon and Yelp, show that our proposed approach is better than that of the state-of-the-art FM and other HIN-based recommending methods.