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We investigate two efficient time discretizations for the post-processing technique of discontinuous Galerkin (DG) methods to solve hyperbolic conservation laws. The post-processing technique, which is applied at the final time of the DG method, can enhance the accuracy of the original DG solution (spatial superconvergence). One main difficulty of the post-processing technique is that the spatial superconvergence after post-processing needs to be matched with proper temporary accuracy. If the semi-discretized system (ODE system after spatial discretization) is under-resolved in time, then the space superconvergence will be concealed. In this paper, we focus our investigation on the recently designed SDG method and derive its explicit scheme from a correction process based on the DG weak formulation. We also introduce another similar technique, namely the spectral deferred correction (SDC) method. A comparison is made among both proposed time discretization techniques with the standard third-order Runge-Kutta method through several numerical examples, to conclude that both the SDG and SDC methods are efficient time discretization techniques for exploiting the spatial superconvergence of the DG methods.

Molecule discovery serves as a cornerstone in numerous scientific domains, fueling the development of new materials and innovative drug designs. Recent developments of in-silico molecule discovery have highlighted the promising results of cross-modal techniques, which bridge molecular structures with their descriptive annotations. However, these cross-modal methods frequently encounter the issue of data scarcity, hampering their performance and application. In this paper, we address the low-resource challenge by utilizing artificially-real data generated by Large Language Models (LLMs). We first introduce a retrieval-based prompting strategy to construct high-quality pseudo data, then explore the optimal method to effectively leverage this pseudo data. Experiments show that using pseudo data for domain adaptation outperforms all existing methods, while also requiring a smaller model scale, reduced data size and lower training cost, highlighting its efficiency. Furthermore, our method shows a sustained improvement as the volume of pseudo data increases, revealing the great potential of pseudo data in advancing low-resource cross-modal molecule discovery. Our code and data are available at //github.com/SCIR-HI/ArtificiallyR2R.

State space models (SSMs) are widely used to describe dynamic systems. However, when the likelihood of the observations is intractable, parameter inference for SSMs cannot be easily carried out using standard Markov chain Monte Carlo or sequential Monte Carlo methods. In this paper, we propose a particle Gibbs sampler as a general strategy to handle SSMs with intractable likelihoods in the approximate Bayesian computation (ABC) setting. The proposed sampler incorporates a conditional auxiliary particle filter, which can help mitigate the weight degeneracy often encountered in ABC. To illustrate the methodology, we focus on a classic stochastic volatility model (SVM) used in finance and econometrics for analyzing and interpreting volatility. Simulation studies demonstrate the accuracy of our sampler for SVM parameter inference, compared to existing particle Gibbs samplers based on the conditional bootstrap filter. As a real data application, we apply the proposed sampler for fitting an SVM to S&P 500 Index time-series data during the 2008 financial crisis.

We study a graph-based generalization of the Galam opinion formation model. Consider a simple connected graph which represents a social network. Each node in the graph is colored either blue or white, which indicates a positive or negative opinion on a new product or a topic. In each discrete-time round, all nodes are assigned randomly to groups of different sizes, where the node(s) in each group form a clique in the underlying graph. All the nodes simultaneously update their color to the majority color in their group. If there is a tie, each node in the group chooses one of the two colors uniformly at random. Investigating the convergence time of the model, our experiments show that the convergence time is a logarithm function of the number of nodes for a complete graph and a quadratic function for a cycle graph. We also study the various strategies for selecting a set of seed nodes to maximize the final cascade of one of the two colors, motivated by viral marketing. We consider the algorithms where the seed nodes are selected based on the graph structure (nodes' centrality measures such as degree, betweenness, and closeness) and the individual's characteristics (activeness and stubbornness). We provide a comparison of such strategies by conducting experiments on different real-world and synthetic networks.

Due to the limitations in the accuracy and robustness of current electroencephalogram (EEG) classification algorithms, applying motor imagery (MI) for practical Brain-Computer Interface (BCI) applications remains challenging. This paper proposed a model that combined a three-dimensional convolutional neural network (CNN) with a long short-term memory (LSTM) network with attention to classify MI-EEG signals. This model combined MI-EEG signals from different channels into three-dimensional features and extracted spatial features through convolution operations with multiple three-dimensional convolutional kernels of different scales. At the same time, to ensure the integrity of the extracted MI-EEG signal temporal features, the LSTM network was directly trained on the preprocessed raw signal. Finally, the features obtained from these two networks were combined and used for classification. Experimental results showed that this model achieved a classification accuracy of 92.7% and an F1-score of 0.91 on the public dataset BCI Competition IV dataset 2a, which were both higher than the state-of-the-art models in the field of MI tasks. Additionally, 12 participants were invited to complete a four-class MI task in our lab, and experiments on the collected dataset showed that the 3D-CLMI model also maintained the highest classification accuracy and F1-score. The model greatly improved the classification accuracy of users' motor imagery intentions, giving brain-computer interfaces better application prospects in emerging fields such as autonomous vehicles and medical rehabilitation.

Generative Pre-trained Transformer (GPT) models have exhibited exciting progress in their capabilities, capturing the interest of practitioners and the public alike. Yet, while the literature on the trustworthiness of GPT models remains limited, practitioners have proposed employing capable GPT models for sensitive applications such as healthcare and finance -- where mistakes can be costly. To this end, this work proposes a comprehensive trustworthiness evaluation for large language models with a focus on GPT-4 and GPT-3.5, considering diverse perspectives -- including toxicity, stereotype bias, adversarial robustness, out-of-distribution robustness, robustness on adversarial demonstrations, privacy, machine ethics, and fairness. Based on our evaluations, we discover previously unpublished vulnerabilities to trustworthiness threats. For instance, we find that GPT models can be easily misled to generate toxic and biased outputs and leak private information in both training data and conversation history. We also find that although GPT-4 is usually more trustworthy than GPT-3.5 on standard benchmarks, GPT-4 is more vulnerable given jailbreaking system or user prompts, potentially because GPT-4 follows (misleading) instructions more precisely. Our work illustrates a comprehensive trustworthiness evaluation of GPT models and sheds light on the trustworthiness gaps. Our benchmark is publicly available at //decodingtrust.github.io/; our dataset can be previewed at //huggingface.co/datasets/AI-Secure/DecodingTrust; a concise version of this work is at //openreview.net/pdf?id=kaHpo8OZw2.

Graph Neural Networks (GNNs) have been studied from the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the gradient dynamics of GNNs. First, we analyze linearized GNNs and prove that despite the non-convexity of training, convergence to a global minimum at a linear rate is guaranteed under mild assumptions that we validate on real-world graphs. Second, we study what may affect the GNNs' training speed. Our results show that the training of GNNs is implicitly accelerated by skip connections, more depth, and/or a good label distribution. Empirical results confirm that our theoretical results for linearized GNNs align with the training behavior of nonlinear GNNs. Our results provide the first theoretical support for the success of GNNs with skip connections in terms of optimization, and suggest that deep GNNs with skip connections would be promising in practice.

We study the problem of efficient semantic segmentation for large-scale 3D point clouds. By relying on expensive sampling techniques or computationally heavy pre/post-processing steps, most existing approaches are only able to be trained and operate over small-scale point clouds. In this paper, we introduce RandLA-Net, an efficient and lightweight neural architecture to directly infer per-point semantics for large-scale point clouds. The key to our approach is to use random point sampling instead of more complex point selection approaches. Although remarkably computation and memory efficient, random sampling can discard key features by chance. To overcome this, we introduce a novel local feature aggregation module to progressively increase the receptive field for each 3D point, thereby effectively preserving geometric details. Extensive experiments show that our RandLA-Net can process 1 million points in a single pass with up to 200X faster than existing approaches. Moreover, our RandLA-Net clearly surpasses state-of-the-art approaches for semantic segmentation on two large-scale benchmarks Semantic3D and SemanticKITTI.

Substantial efforts have been devoted more recently to presenting various methods for object detection in optical remote sensing images. However, the current survey of datasets and deep learning based methods for object detection in optical remote sensing images is not adequate. Moreover, most of the existing datasets have some shortcomings, for example, the numbers of images and object categories are small scale, and the image diversity and variations are insufficient. These limitations greatly affect the development of deep learning based object detection methods. In the paper, we provide a comprehensive review of the recent deep learning based object detection progress in both the computer vision and earth observation communities. Then, we propose a large-scale, publicly available benchmark for object DetectIon in Optical Remote sensing images, which we name as DIOR. The dataset contains 23463 images and 192472 instances, covering 20 object classes. The proposed DIOR dataset 1) is large-scale on the object categories, on the object instance number, and on the total image number; 2) has a large range of object size variations, not only in terms of spatial resolutions, but also in the aspect of inter- and intra-class size variability across objects; 3) holds big variations as the images are obtained with different imaging conditions, weathers, seasons, and image quality; and 4) has high inter-class similarity and intra-class diversity. The proposed benchmark can help the researchers to develop and validate their data-driven methods. Finally, we evaluate several state-of-the-art approaches on our DIOR dataset to establish a baseline for future research.

Recent years have witnessed the enormous success of low-dimensional vector space representations of knowledge graphs to predict missing facts or find erroneous ones. Currently, however, it is not yet well-understood how ontological knowledge, e.g. given as a set of (existential) rules, can be embedded in a principled way. To address this shortcoming, in this paper we introduce a framework based on convex regions, which can faithfully incorporate ontological knowledge into the vector space embedding. Our technical contribution is two-fold. First, we show that some of the most popular existing embedding approaches are not capable of modelling even very simple types of rules. Second, we show that our framework can represent ontologies that are expressed using so-called quasi-chained existential rules in an exact way, such that any set of facts which is induced using that vector space embedding is logically consistent and deductively closed with respect to the input ontology.