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Developing an efficient method to accelerate the speed of molecular dynamics is a central theme in the field of molecular simulation. One category among the methods are collective-variable-based methods, which rely on predefined collective variables (CVs). The difficulty of selecting a few important CVs hinders the methods to be applied to large systems easily. Here we present a CV-based enhanced sampling method RiD-kit, which could handle a large number of CVs and perform efficient sampling. The method could be applied to various kinds of systems, including biomolecules, chemical reactions and materials. In this protocol, we guide the users through all phases of the RiD-kit workflow, from preparing the input files, setting the simulation parameters and analyzing the results. The RiD-kit workflow provides an efficient and user-friendly command line tool which could submit jobs to various kinds of platforms including the high-performance computers (HPC), cloud server and local machines., Comment: 43 pages,4 figures

Computer vision has advanced research methodologies, enhancing system services across various fields. It is a core component in traffic monitoring systems for improving road safety; however, these monitoring systems don't preserve the privacy of pedestrians who appear in the videos, potentially revealing their identities. Addressing this issue, our paper introduces Video-to-Text Pedestrian Monitoring (VTPM), which monitors pedestrian movements at intersections and generates real-time textual reports, including traffic signal and weather information. VTPM uses computer vision models for pedestrian detection and tracking, achieving a latency of 0.05 seconds per video frame. Additionally, it detects crossing violations with 90.2% accuracy by incorporating traffic signal data. The proposed framework is equipped with Phi-3 mini-4k to generate real-time textual reports of pedestrian activity while stating safety concerns like crossing violations, conflicts, and the impact of weather on their behavior with latency of 0.33 seconds. To enhance comprehensive analysis of the generated textual reports, Phi-3 medium is fine-tuned for historical analysis of these generated textual reports. This fine-tuning enables more reliable analysis about the pedestrian safety at intersections, effectively detecting patterns and safety critical events. The proposed VTPM offers a more efficient alternative to video footage by using textual reports reducing memory usage, saving up to 253 million percent, eliminating privacy issues, and enabling comprehensive interactive historical analysis.

We present Hunyuan-DiT, a text-to-image diffusion transformer with fine-grained understanding of both English and Chinese. To construct Hunyuan-DiT, we carefully design the transformer structure, text encoder, and positional encoding. We also build from scratch a whole data pipeline to update and evaluate data for iterative model optimization. For fine-grained language understanding, we train a Multimodal Large Language Model to refine the captions of the images. Finally, Hunyuan-DiT can perform multi-turn multimodal dialogue with users, generating and refining images according to the context. Through our holistic human evaluation protocol with more than 50 professional human evaluators, Hunyuan-DiT sets a new state-of-the-art in Chinese-to-image generation compared with other open-source models. Code and pretrained models are publicly available at github.com/Tencent/HunyuanDiT, Comment: Project Page: https://dit.hunyuan.tencent.com/

Diffusion models (DMs) embark a new era of generative modeling and offer more opportunities for efficient generating high-quality and realistic data samples. However, their widespread use has also brought forth new challenges in model security, which motivates the creation of more effective adversarial attackers on DMs to understand its vulnerability. We propose CAAT, a simple but generic and efficient approach that does not require costly training to effectively fool latent diffusion models (LDMs). The approach is based on the observation that cross-attention layers exhibits higher sensitivity to gradient change, allowing for leveraging subtle perturbations on published images to significantly corrupt the generated images. We show that a subtle perturbation on an image can significantly impact the cross-attention layers, thus changing the mapping between text and image during the fine-tuning of customized diffusion models. Extensive experiments demonstrate that CAAT is compatible with diverse diffusion models and outperforms baseline attack methods in a more effective (more noise) and efficient (twice as fast as Anti-DreamBooth and Mist) manner., Comment: Published at CVPR 2024, code:https://github.com/CO2-cityao/CAAT

This paper introduces our solution for Track 2 in AI City Challenge 2024. The task aims to solve traffic safety description and analysis with the dataset of Woven Traffic Safety (WTS), a real-world Pedestrian-Centric Traffic Video Dataset for Fine-grained Spatial-Temporal Understanding. Our solution mainly focuses on the following points: 1) To solve dense video captioning, we leverage the framework of dense video captioning with parallel decoding (PDVC) to model visual-language sequences and generate dense caption by chapters for video. 2) Our work leverages CLIP to extract visual features to more efficiently perform cross-modality training between visual and textual representations. 3) We conduct domain-specific model adaptation to mitigate domain shift problem that poses recognition challenge in video understanding. 4) Moreover, we leverage BDD-5K captioned videos to conduct knowledge transfer for better understanding WTS videos and more accurate captioning. Our solution has yielded on the test set, achieving 6th place in the competition. The open source code will be available at https://github.com/UCF-SST-Lab/AICity2024CVPRW

Consumer credit services offered by e-commerce platforms provide customers with convenient loan access during shopping and have the potential to stimulate sales. To understand the causal impact of credit lines on spending, previous studies have employed causal estimators, based on direct regression (DR), inverse propensity weighting (IPW), and double machine learning (DML) to estimate the treatment effect. However, these estimators do not consider the notion that an individual's spending can be understood and represented as a distribution, which captures the range and pattern of amounts spent across different orders. By disregarding the outcome as a distribution, valuable insights embedded within the outcome distribution might be overlooked. This paper develops a distribution-valued estimator framework that extends existing real-valued DR-, IPW-, and DML-based estimators to distribution-valued estimators within Rubin's causal framework. We establish their consistency and apply them to a real dataset from a large e-commerce platform. Our findings reveal that credit lines positively influence spending across all quantiles; however, as credit lines increase, consumers allocate more to luxuries (higher quantiles) than necessities (lower quantiles).

Uplift modeling refers to the set of machine learning techniques that a manager may use to estimate customer uplift, that is, the net effect of an action on some customer outcome. By identifying the subset of customers for whom a treatment will have the greatest effect, uplift models assist decision-makers in optimizing resource allocations and maximizing overall returns. Accurately estimating customer uplift poses practical challenges, as it requires assessing the difference between two mutually exclusive outcomes for each individual. In this paper, we propose two innovative adaptations of the well-established Gradient Boosting Decision Trees (GBDT) algorithm, which learn the causal effect in a sequential way and overcome the counter-factual nature. Both approaches innovate existing techniques in terms of ensemble learning method and learning objectives, respectively. Experiments on large-scale datasets demonstrate the usefulness of the proposed methods, which often yielding remarkable improvements over base models. To facilitate the application, we develop the UTBoost, an end-to-end tree boosting system specifically designed for uplift modeling. The package is open source and has been optimized for training speed to meet the needs of real industrial applications., Comment: 11 pages, 3 figures

Time series forecasting is prevalent in various real-world applications. Despite the promising results of deep learning models in time series forecasting, especially the Recurrent Neural Networks (RNNs), the explanations of time series models, which are critical in high-stakes applications, have received little attention. In this paper, we propose a Decomposition-based Linear Explainable LSTM (DeLELSTM) to improve the interpretability of LSTM. Conventionally, the interpretability of RNNs only concentrates on the variable importance and time importance. We additionally distinguish between the instantaneous influence of new coming data and the long-term effects of historical data. Specifically, DeLELSTM consists of two components, i.e., standard LSTM and tensorized LSTM. The tensorized LSTM assigns each variable with a unique hidden state making up a matrix $\mathbf{h}_t$, and the standard LSTM models all the variables with a shared hidden state $\mathbf{H}_t$. By decomposing the $\mathbf{H}_t$ into the linear combination of past information $\mathbf{h}_{t-1}$ and the fresh information $\mathbf{h}_{t}-\mathbf{h}_{t-1}$, we can get the instantaneous influence and the long-term effect of each variable. In addition, the advantage of linear regression also makes the explanation transparent and clear. We demonstrate the effectiveness and interpretability of DeLELSTM on three empirical datasets. Extensive experiments show that the proposed method achieves competitive performance against the baseline methods and provides a reliable explanation relative to domain knowledge.

Large Language Models (LLMs) have shown remarkable effectiveness in various general-domain natural language processing (NLP) tasks. However, their performance in transportation safety domain tasks has been suboptimal, primarily attributed to the requirement for specialized transportation safety expertise in generating accurate responses [1]. To address this challenge, we introduce TrafficSafetyGPT, a novel LLAMA-based model, which has undergone supervised fine-tuning using TrafficSafety-2K dataset which has human labels from government produced guiding books and ChatGPT-generated instruction-output pairs. Our proposed TrafficSafetyGPT model and TrafficSafety-2K train dataset are accessible at https://github.com/ozheng1993/TrafficSafetyGPT.

Classical Domain Adaptation methods acquire transferability by regularizing the overall distributional discrepancies between features in the source domain (labeled) and features in the target domain (unlabeled). They often do not differentiate whether the domain differences come from the marginals or the dependence structures. In many business and financial applications, the labeling function usually has different sensitivities to the changes in the marginals versus changes in the dependence structures. Measuring the overall distributional differences will not be discriminative enough in acquiring transferability. Without the needed structural resolution, the learned transfer is less optimal. This paper proposes a new domain adaptation approach in which one can measure the differences in the internal dependence structure separately from those in the marginals. By optimizing the relative weights among them, the new regularization strategy greatly relaxes the rigidness of the existing approaches. It allows a learning machine to pay special attention to places where the differences matter the most. Experiments on three real-world datasets show that the improvements are quite notable and robust compared to various benchmark domain adaptation models., Comment: 15 pages

Vehicles equipped with automated driving capabilities have shown potential to improve safety and operations. Advanced driver assistance systems (ADAS) and automated driving systems (ADS) have been widely developed to support vehicular automation. Although the studies on the injury severity outcomes that involve automated vehicles are ongoing, there is limited research investigating the difference between injury severity outcomes for the ADAS and ADS equipped vehicles. To ensure a comprehensive analysis, a multi-source dataset that includes 1,001 ADAS crashes (SAE Level 2 vehicles) and 548 ADS crashes (SAE Level 4 vehicles) is used. Two random parameters multinomial logit models with heterogeneity in the means of random parameters are considered to gain a better understanding of the variables impacting the crash injury severity outcomes for the ADAS (SAE Level 2) and ADS (SAE Level 4) vehicles. It was found that while 67 percent of crashes involving the ADAS equipped vehicles in the dataset took place on a highway, 94 percent of crashes involving ADS took place in more urban settings. The model estimation results also reveal that the weather indicator, driver type indicator, differences in the system sophistication that are captured by both manufacture year and high/low mileage as well as rear and front contact indicators all play a role in the crash injury severity outcomes. The results offer an exploratory assessment of safety performance of the ADAS and ADS equipped vehicles using the real-world data and can be used by the manufacturers and other stakeholders to dictate the direction of their deployment and usage.

The ChatGPT, a lite and conversational variant of Generative Pretrained Transformer 4 (GPT-4) developed by OpenAI, is one of the milestone Large Language Models (LLMs) with billions of parameters. LLMs have stirred up much interest among researchers and practitioners in their impressive skills in natural language processing tasks, which profoundly impact various fields. This paper mainly discusses the future applications of LLMs in dentistry. We introduce two primary LLM deployment methods in dentistry, including automated dental diagnosis and cross-modal dental diagnosis, and examine their potential applications. Especially, equipped with a cross-modal encoder, a single LLM can manage multi-source data and conduct advanced natural language reasoning to perform complex clinical operations. We also present cases to demonstrate the potential of a fully automatic Multi-Modal LLM AI system for dentistry clinical application. While LLMs offer significant potential benefits, the challenges, such as data privacy, data quality, and model bias, need further study. Overall, LLMs have the potential to revolutionize dental diagnosis and treatment, which indicates a promising avenue for clinical application and research in dentistry.

Crash data of autonomous vehicles (AV) or vehicles equipped with advanced driver assistance systems (ADAS) are the key information to understand the crash nature and to enhance the automation systems. However, most of the existing crash data sources are either limited by the sample size or suffer from missing or unverified data. To contribute to the AV safety research community, we introduce AVOID: an open AV crash dataset. Three types of vehicles are considered: Advanced Driving System (ADS) vehicles, Advanced Driver Assistance Systems (ADAS) vehicles, and low-speed autonomous shuttles. The crash data are collected from the National Highway Traffic Safety Administration (NHTSA), California Department of Motor Vehicles (CA DMV) and incident news worldwide, and the data are manually verified and summarized in ready-to-use format. In addition, land use, weather, and geometry information are also provided. The dataset is expected to accelerate the research on AV crash analysis and potential risk identification by providing the research community with data of rich samples, diverse data sources, clear data structure, and high data quality.

The utilization of traffic conflict indicators is crucial for assessing traffic safety, especially when the crash data is unavailable. To identify traffic conflicts based on traffic flow characteristics across various traffic states, we propose a framework that utilizes unsupervised learning to automatically establish surrogate safety measures (SSM) thresholds. Different traffic states and corresponding transitions are identified with the three-phase traffic theory using high-resolution trajectory data. Meanwhile, the SSMs are mapped to the corresponding traffic states from the perspectives of time, space, and deceleration. Three models, including k-means, GMM, and Mclust, are investigated and compared to optimize the identification of traffic conflicts. It is observed that Mclust outperforms the others based on the evaluation metrics. According to the results, there is a variation in the distribution of traffic conflicts among different traffic states, wide moving jam (phase J) has the highest conflict risk, followed by synchronous flow (phase S), and free flow (phase F). Meanwhile, the thresholds of traffic conflicts cannot be fully represented by the same value through different traffic states. It reveals that the heterogeneity of thresholds is exhibited across traffic state transitions, which justifies the necessity of dynamic thresholds for traffic conflict analysis.

ChatGPT embarks on a new era of artificial intelligence and will revolutionize the way we approach intelligent traffic safety systems. This paper begins with a brief introduction about the development of large language models (LLMs). Next, we exemplify using ChatGPT to address key traffic safety issues. Furthermore, we discuss the controversies surrounding LLMs, raise critical questions for their deployment, and provide our solutions. Moreover, we propose an idea of multi-modality representation learning for smarter traffic safety decision-making and open more questions for application improvement. We believe that LLM will both shape and potentially facilitate components of traffic safety research., Comment: Submitted to Nature - Machine Intelligence (Revised and Extended)

We study the problem of semantic segmentation calibration. Lots of solutions have been proposed to approach model miscalibration of confidence in image classification. However, to date, confidence calibration research on semantic segmentation is still limited. We provide a systematic study on the calibration of semantic segmentation models and propose a simple yet effective approach. First, we find that model capacity, crop size, multi-scale testing, and prediction correctness have impact on calibration. Among them, prediction correctness, especially misprediction, is more important to miscalibration due to over-confidence. Next, we propose a simple, unifying, and effective approach, namely selective scaling, by separating correct/incorrect prediction for scaling and more focusing on misprediction logit smoothing. Then, we study popular existing calibration methods and compare them with selective scaling on semantic segmentation calibration. We conduct extensive experiments with a variety of benchmarks on both in-domain and domain-shift calibration and show that selective scaling consistently outperforms other methods., Comment: Accepted to CVPR-2023 (8 pages, 4 figures)