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Deep generative models have been accelerating the inverse design process in material and drug design. Unlike their counterpart property predictors in typical molecular design frameworks, generative molecular design models have seen fewer efforts on uncertainty quantification (UQ) due to computational challenges in Bayesian inference posed by their large number of parameters. In this work, we focus on the junction-tree variational autoencoder (JT-VAE), a popular model for generative molecular design, and address this issue by leveraging the low dimensional active subspace to capture the uncertainty in the model parameters. Specifically, we approximate the posterior distribution over the active subspace parameters to estimate the epistemic model uncertainty in an extremely high dimensional parameter space. The proposed UQ scheme does not require alteration of the model architecture, making it readily applicable to any pre-trained model. Our experiments demonstrate the efficacy of the AS-based UQ and its potential impact on molecular optimization by exploring the model diversity under epistemic uncertainty.

The Internet of Things (IoT) has garnered significant interest in both research and industry due to its profound impact on human life. The rapid expansion of IoT technology has ushered in smart healthcare, smart devices, smart cities, and smart grids. However, the security of IoT devices, particularly in healthcare, has become a major concern, with recent attacks revealing serious vulnerabilities. In IoT networks, where connected devices are susceptible to resource-constraint attacks, such as energy consumption attacks, security is paramount. This paper explores the impact of Distributed Denial of Service (DDoS) and Fake Access Points (F-APs) attacks on WiFi-enabled smart healthcare devices. Specifically, it investigates how these attacks can disrupt service on victim devices and Access Points (APs), focusing on device connectivity and energy consumption during attacks. Key findings include identifying the attack rates of DDoS attacks that disrupt services and quantifying the energy consumption impact of Energy Consumption Distributed Denial of Service (EC-DDoS) and F-APs attacks on smart healthcare devices. The study highlights communication protocols, attack rates, payload sizes, and port states of victim devices as critical factors influencing energy consumption. These insights provide a comprehensive understanding of IoT device vulnerabilities in smart healthcare environments and lay the groundwork for future defense strategies.

We study the problem of model selection in causal inference, specifically for conditional average treatment effect (CATE) estimation. Unlike machine learning, there is no perfect analogue of cross-validation for model selection as we do not observe the counterfactual potential outcomes. Towards this, a variety of surrogate metrics have been proposed for CATE model selection that use only observed data. However, we do not have a good understanding regarding their effectiveness due to limited comparisons in prior studies. We conduct an extensive empirical analysis to benchmark the surrogate model selection metrics introduced in the literature, as well as the novel ones introduced in this work. We ensure a fair comparison by tuning the hyperparameters associated with these metrics via AutoML, and provide more detailed trends by incorporating realistic datasets via generative modeling. Our analysis suggests novel model selection strategies based on careful hyperparameter selection of CATE estimators and causal ensembling.

Despite the earlier claim of "Death of Distance", recent studies revealed that geographical proximity still greatly influences link formation in online social networks. However, it is unclear how physical distances are intertwined with users' online behaviors in a virtual world. We study the role of spatial dependence on a global online social network with a dyadic Logit model. Results show country-specific patterns for distance effect on probabilities to build connections. Effects are stronger when the possibility for two people to meet in person exists. Relative to weak ties, dependence on proximity is looser for strong social ties.

Since the emergence of GPT-3, Large Language Models (LLMs) have caught the eyes of researchers, practitioners, and educators in the field of software engineering. However, there has been relatively little investigation regarding the performance of LLMs in assisting with requirements analysis and UML modeling. This paper explores how LLMs can assist novice analysts in creating three types of typical UML models: use case models, class diagrams, and sequence diagrams. For this purpose, we designed the modeling tasks of these three UML models for 45 undergraduate students who participated in a requirements modeling course, with the help of LLMs. By analyzing their project reports, we found that LLMs can assist undergraduate students as notice analysts in UML modeling tasks, but LLMs also have shortcomings and limitations.

This research explores the application of Large Language Models (LLMs) for automating the extraction of requirement-related legal content in the food safety domain and checking legal compliance of regulatory artifacts. With Industry 4.0 revolutionizing the food industry and with the General Data Protection Regulation (GDPR) reshaping privacy policies and data processing agreements, there is a growing gap between regulatory analysis and recent technological advancements. This study aims to bridge this gap by leveraging LLMs, namely BERT and GPT models, to accurately classify legal provisions and automate compliance checks. Our findings demonstrate promising results, indicating LLMs' significant potential to enhance legal compliance and regulatory analysis efficiency, notably by reducing manual workload and improving accuracy within reasonable time and financial constraints.

Optical Doppler Tomography (ODT) is a blood flow imaging technique popularly used in bioengineering applications. The fundamental unit of ODT is the 1D frequency response along the A-line (depth), named raw A-scan. A 2D ODT image (B-scan) is obtained by first sensing raw A-scans along the B-line (width), and then constructing the B-scan from these raw A-scans via magnitude-phase analysis and post-processing. To obtain a high-resolution B-scan with a precise flow map, densely sampled A-scans are required in current methods, causing both computational and storage burdens. To address this issue, in this paper we propose a novel sparse reconstruction framework with four main sequential steps: 1) early magnitude-phase fusion that encourages rich interaction of the complementary information in magnitude and phase, 2) State Space Model (SSM)-based representation learning, inspired by recent successes in Mamba and VMamba, to naturally capture both the intra-A-scan sequential information and between-A-scan interactions, 3) an Inception-based Feedforward Network module (IncFFN) to further boost the SSM-module, and 4) a B-line Pixel Shuffle (BPS) layer to effectively reconstruct the final results. In the experiments on real-world animal data, our method shows clear effectiveness in reconstruction accuracy. As the first application of SSM for image reconstruction tasks, we expect our work to inspire related explorations in not only efficient ODT imaging techniques but also generic image enhancement.

To guide the design of better iterative optimisation heuristics, it is imperative to understand how inherent structural biases within algorithm components affect the performance on a wide variety of search landscapes. This study explores the impact of structural bias in the modular Covariance Matrix Adaptation Evolution Strategy (modCMA), focusing on the roles of various modulars within the algorithm. Through an extensive investigation involving 435,456 configurations of modCMA, we identified key modules that significantly influence structural bias of various classes. Our analysis utilized the Deep-BIAS toolbox for structural bias detection and classification, complemented by SHAP analysis for quantifying module contributions. The performance of these configurations was tested on a sequence of affine-recombined functions, maintaining fixed optimum locations while gradually varying the landscape features. Our results demonstrate an interplay between module-induced structural bias and algorithm performance across different landscape characteristics.

We study the problem of incorporating prior knowledge into a deep Transformer-based model,i.e.,Bidirectional Encoder Representations from Transformers (BERT), to enhance its performance on semantic textual matching tasks. By probing and analyzing what BERT has already known when solving this task, we obtain better understanding of what task-specific knowledge BERT needs the most and where it is most needed. The analysis further motivates us to take a different approach than most existing works. Instead of using prior knowledge to create a new training task for fine-tuning BERT, we directly inject knowledge into BERT's multi-head attention mechanism. This leads us to a simple yet effective approach that enjoys fast training stage as it saves the model from training on additional data or tasks other than the main task. Extensive experiments demonstrate that the proposed knowledge-enhanced BERT is able to consistently improve semantic textual matching performance over the original BERT model, and the performance benefit is most salient when training data is scarce.

Clinical Named Entity Recognition (CNER) aims to identify and classify clinical terms such as diseases, symptoms, treatments, exams, and body parts in electronic health records, which is a fundamental and crucial task for clinical and translational research. In recent years, deep neural networks have achieved significant success in named entity recognition and many other Natural Language Processing (NLP) tasks. Most of these algorithms are trained end to end, and can automatically learn features from large scale labeled datasets. However, these data-driven methods typically lack the capability of processing rare or unseen entities. Previous statistical methods and feature engineering practice have demonstrated that human knowledge can provide valuable information for handling rare and unseen cases. In this paper, we address the problem by incorporating dictionaries into deep neural networks for the Chinese CNER task. Two different architectures that extend the Bi-directional Long Short-Term Memory (Bi-LSTM) neural network and five different feature representation schemes are proposed to handle the task. Computational results on the CCKS-2017 Task 2 benchmark dataset show that the proposed method achieves the highly competitive performance compared with the state-of-the-art deep learning methods.