As the rapid-spreading disease COVID-19 occupies the world, most governments adopt strict control policies to alleviate the impact of the virus. These policies successfully reduced the prevalence and delayed the epidemic peak, while they are also associated with high economic and social costs. To bridge the microscopic epidemic transmission patterns and control policies, simulation systems play an important role. In this work, we propose an agent-based disease simulator for indoor public spaces, which contribute to most of the transmission in cities. As an example, we study Guangzhou Baiyun International Airport, which is one of the most bustling aviation hubs in China. Specifically, we design a high-efficiency mobility generation module to reconstruct the individual trajectories considering both lingering behavior and crowd mobility, which greatly enhances the credibility of the simulated mobility and ensures real-time performance. Based on the individual trajectories, we propose a multi-path disease transmission module optimized for indoor public spaces, which includes three main transmission paths as close contact transmission, aerosol transmission, and object surface transmission. We design a novel convolution-based algorithm to mimic the diffusion process, which can leverage the high concurrent capability of the graphics processing unit to accelerate the simulation process. Leveraging our simulation paradigm, the effectiveness of common policy interventions can be quantitatively evaluated. For mobility interventions, we find that lingering control is the most effective mobility intervention with 32.35% fewer infections, while increasing social distance and increasing walking speed have a similar effect with 15.15% and 18.02% fewer infections. It demonstrates the importance of introducing crowd mobility into disease transmission simulation. For transmission processes, we find the aerosol transmission involves in 99.99% of transmission, which highlights the importance of ventilation in indoor public spaces. Our simulation also demonstrates that without strict entrance detection to identify the input infections, only performing frequent disinfection cannot achieve desirable epidemic outcomes. Based on our simulation paradigm, we can shed light on better policy designs that achieve a good balance between disease spreading control and social costs.

Individual trajectory generation plays an important role in simulation tasks, reconstructing fine-grained mobility behaviors that can be used to evaluate epidemic risks, congestion risks, or commercial profit. Previous research works adopt the Newton’s mechanic-based particle model as their core algorithm, such as the Social Force model. However, real-world human mobility behaviors hardly follow the particle models, especially in the interior scenes where interactions between pedestrians and environments matter. In this article, we propose a Social Force-based trajectory simulator for interior scenarios that improve both trajectory quality and generation speed for interior scenarios. First, we introduce prior scene knowledge to guide the generation process, where pedestrians are armed with exploration behaviors that follow the group-level distribution. It provides more flexibility to simulate complicated human behaviors rather than straight-line movements, generating high-quality individual trajectories. Experiments show that the correlation between the aggregated population distribution of generated trajectories and ground-truth distribution is improved by 11.84% by our method. Second, we optimize the algorithm procedure by introducing a caching mechanism for tenderized intermediate values, along with graph-processing-unit-based implementation. Compared with the baseline Social Force model, we reduced the time consumption by 95%. More importantly, based on our simulation paradigm, we quantitatively evaluate several common mobility interventions in our simulation scenario, which can shed light on better policy designs in public spaces.

Obtaining crowd flow distribution with recognized human intention is extremely valuable for a series of applications for metropolitan cities. Previous solutions look at spatial correlation and temporal periodicity based on historical crowd flow information to calculate future crowd flow distribution. However, these mechanisms cannot recognize the intention behind crowd flow. We address this problem by leveraging a key insight – people's intention behind their movement is highly correlated with the point-of-interest (POI) distribution of the corresponding regions and adjacent regions. Therefore, we proposeDeepFlowGento model the complicated relationship between crowd flow, POI, check-ins, and time to generate intention-aware crowd flow. Specifically, we solve the conflict between dynamic crowd flow and static POI distribution by fusing the information in both time and POI domains. Besides, we employ a sequence of residual blocks inDeepFlowGento address the challenges of modeling the diverse temporal rhythms and heterogeneous influence of POI. Furthermore, we examine the generated intention-aware crowd flow from two aspects to substantiate the reasonability ofDeepFlowGen. Extensive experiments demonstrate that our model outperforms the state-of-the-art solutions by at most 30 percent in terms of NRMSE of total crowd flow. Moreover, the correlation between the generated intention-aware crowd flow and the check-in distribution across different categories of POIs is as high as 0.90 and 0.80 in Beijing and Shanghai. Combined with extensive case studies, we demonstrate the strong ability of our model in generating intention-aware crowd flow.

Planning scenarios involving user pre-specified items present themselves frequently in recommender system domains. Although next-item and next-basket recommendation has been a focus of prior research, multiple consecutive item or basket approaches are needed for planning. No prior work has leveraged pre-specified future reference items to improve this type of challenging consecutive prediction task at inference time. PLAN-BERT is the first to accommodate this general planning scenario. It does so by contributing novel modifications that take inspiration from the masked training and contextual embedding of self-attention models. To test the model, we use the domain of student academic degree planning, in which students’ past course histories and future pre-specified courses of interest are used to fill in the remainder of their curriculum. Our offline analyses consist of 15 million historic course enrollments at 20 institutions and an online evaluation conducted at one of the institutions. Our results show that PLAN-BERT outperforms existing models including BERT, BiLSTM, and a UserKNN baseline, with small numbers of future reference items substantially improving accuracy. Significant results from our online evaluation show PLAN-BERT to be strongest in students' perceptions of personalization.

Learning generalizable, transferable, and robust representations for molecule data has always been a challenge. The recent success of contrastive learning (CL) for self-supervised graph representation learning provides a novel perspective to learn molecule representations. However, existing graph CL frameworks usually adopt stochastic augmentations or schemes according to pre-defined rules ont he input graph to obtain different graph views in various scales, which may destroy topological semantemes and domain prior in molecule data, leading to suboptimal performance. Therefore, a well-designed parameterized augmentation scheme that preserves chemically meaningful structural information and intrinsically essential attributes is crucial for molecular graph contrastive learning, helping to learn representations that are insensitive to perturbation on unimportant atoms and bonds. In this paper, we propose a novel method, Molecular Graph Contrastive Learning with Parameterized Explainable Augmentations, that adaptively incorporates chemically significative information from both topological and semantic aspects of molecular graphs. Specifically, we apply deep neural networks to parameterize the augmentation process for both the molecular graph topology and atom attributes, to highlight contributive molecular substructures and recognize underlying chemical semantemes. Comprehensive experiments demonstrate that our method consistently outperforms compared baselines, verifying the effectiveness of the proposed framework. Our self-supervised model only uses one percent of the parameters to achieve comparative results against the state-of-the-art baseline, which has hundreds of millions of parameters. We also provide detailed case studies to validate the explainability of augmented views.

Fine-grained population distribution data is of great importance for many applications, e.g., urban planning, traffic scheduling, epidemic modeling, and risk control. However, due to the limitations of data collection, including infrastructure density, user privacy, and business security, such fine-grained data is hard to collect and usually, only coarse-grained data is available. Thus, obtaining fine-grained population distribution from coarse-grained distribution becomes an important problem. To tackle this problem, existing methods mainly rely on sufficient fine-grained ground truth for training, which is not often available for the majority of cities. That limits the applications of these methods and brings the necessity to transfer knowledge between data-sufficient source cities to data-scarce target cities.