arXiv subjects

Yifan Yu

Publications and source records attributed to Yifan Yu.

41 records · Page 3Linked to original sources

arXiv2022

Quantification of the atomic surfaces and volumes of a metal cluster based on the molecular surface model

The atomic volume and surface are important geometric quantities for calculating various macroscopic physical quantities from atomic models. This paper proposes a new analytical method to calculate the atomic volumes and surfaces of a metal cluster. This method adopts metallic radii to describe atom sizes and constructs the overall volume/surface by the molecular surface (MS) model. It divides cluster atoms into two types: interior atoms and boundary atoms. For an interior atom, the method defines a variational Voronoi cell as its volume. For a boundary atom, the method defines the intersection of the overall cluster volume and its variational Voronoi cell as its volume. The atomic surfaces are calculated along with the volume calculations. This new method considers the effect of atom sizes and can calculate not only the overall volume of a cluster but also the individual volume for each atom. This method provides computational support for multiscale coupled calculations from the microscale to macroscale.

cond-mat.mtrl-sci↗

arXiv2022

Emotions in Online Content Diffusion

Social media-transmitted online information, which is associated with emotional expressions, shapes our thoughts and actions. In this study, we incorporate social network theories and analyses and use a computational approach to investigate how emotional expressions, particularly \textit{negative discrete emotional expressions} (i.e., anxiety, sadness, anger, and disgust), lead to differential diffusion of online content in social media networks. We rigorously quantify diffusion cascades' structural properties (i.e., size, depth, maximum breadth, and structural virality) and analyze the individual characteristics (i.e., age, gender, and network degree) and social ties (i.e., strong and weak) involved in the cascading process. In our sample, more than six million unique individuals transmitted 387,486 randomly selected articles in a massive-scale online social network, WeChat. We detect the expression of discrete emotions embedded in these articles, using a newly generated domain-specific and up-to-date emotion lexicon. We apply a partial-linear instrumental variable approach with a double machine learning framework to causally identify the impact of the negative discrete emotions on online content diffusion. We find that articles with more expressions of anxiety spread to a larger number of individuals and diffuse more deeply, broadly, and virally. Expressions of anger and sadness, however, reduce cascades' size and maximum breadth. We further show that the articles with different degrees of negative emotional expressions tend to spread differently based on individual characteristics and social ties. Our results shed light on content marketing and regulation, utilizing negative emotional expressions.

econ.GN↗

arXiv2019

Deep Learning for the Digital Pathologic Diagnosis of Cholangiocarcinoma and Hepatocellular Carcinoma: Evaluating the Impact of a Web-based Diagnostic Assistant

While artificial intelligence (AI) algorithms continue to rival human performance on a variety of clinical tasks, the question of how best to incorporate these algorithms into clinical workflows remains relatively unexplored. We investigated how AI can affect pathologist performance on the task of differentiating between two subtypes of primary liver cancer, hepatocellular carcinoma (HCC) and cholangiocarcinoma (CC). We developed an AI diagnostic assistant using a deep learning model and evaluated its effect on the diagnostic performance of eleven pathologists with varying levels of expertise. Our deep learning model achieved an accuracy of 0.885 on an internal validation set of 26 slides and an accuracy of 0.842 on an independent test set of 80 slides. Despite having high accuracy on a hold out test set, the diagnostic assistant did not significantly improve performance across pathologists (p-value: 0.184, OR: 1.287 (95% CI 0.886, 1.871)). Model correctness was observed to significantly bias the pathologist decisions. When the model was correct, assistance significantly improved accuracy across all pathologist experience levels and for all case difficulty levels (p-value: < 0.001, OR: 4.289 (95% CI 2.360, 7.794)). When the model was incorrect, assistance significantly decreased accuracy across all 11 pathologists and for all case difficulty levels (p-value < 0.001, OR: 0.253 (95% CI 0.126, 0.507)). Our results highlight the challenges of translating AI models to the clinical setting, especially for difficult subspecialty tasks such as tumor classification. In particular, they suggest that incorrect model predictions could strongly bias an expert's diagnosis, an important factor to consider when designing medical AI-assistance systems.

eess.IV↗

arXiv2019

Heat capacity and thermal expansion of metal crystalline materials based on dynamic thermal vibration

A novel approach based on dynamic thermal vibration is proposed to calculate the heat capacity and thermal expansion coefficient (TEC) for metal crystalline materials from 0K to the melting point. The motion of metal atomic clusters is decomposed into structural deformation and thermal vibration. Then thermal vibration equations are established by the fourth-order Taylor expansion of Hamiltonian at the transient structural deformation position $\bar{\mathbf{x}}$. As a result, the thermal vibration frequencies dynamically change with the structural deformation positions and temperatures. A parameter $\barδ(\bar{\mathbf{x}}, T)$ is newly introduced to illustrate how the thermal vibration frequencies vary with the temperature $T$. Besides, the modified temperature-dependent Grüneisen parameter $\bar γ(\bar{\mathbf{x}}, T)$ is given. Finally, the formulae of heat capacity and TEC for metal crystalline materials are derived from the dynamic thermal vibration frequencies and $\bar δ(\bar{\mathbf{x}}, T)$ as well as $\bar γ(\bar{\mathbf{x}}, T)$. The numerical results of heat capacity and TEC for metals Cu, Al, Au, Ag, Ni, Pd, Pt and Pb show a temperature dependence and agree well with the experimental data from 0K to the melting point. This work suggests an efficient approach to calculate thermodynamic properties of metal materials for a wide range of temperatures, up to the melting point.

cond-mat.stat-mech↗

arXiv2019

CheXpert: A Large Chest Radiograph Dataset with Uncertainty Labels and Expert Comparison

Large, labeled datasets have driven deep learning methods to achieve expert-level performance on a variety of medical imaging tasks. We present CheXpert, a large dataset that contains 224,316 chest radiographs of 65,240 patients. We design a labeler to automatically detect the presence of 14 observations in radiology reports, capturing uncertainties inherent in radiograph interpretation. We investigate different approaches to using the uncertainty labels for training convolutional neural networks that output the probability of these observations given the available frontal and lateral radiographs. On a validation set of 200 chest radiographic studies which were manually annotated by 3 board-certified radiologists, we find that different uncertainty approaches are useful for different pathologies. We then evaluate our best model on a test set composed of 500 chest radiographic studies annotated by a consensus of 5 board-certified radiologists, and compare the performance of our model to that of 3 additional radiologists in the detection of 5 selected pathologies. On Cardiomegaly, Edema, and Pleural Effusion, the model ROC and PR curves lie above all 3 radiologist operating points. We release the dataset to the public as a standard benchmark to evaluate performance of chest radiograph interpretation models. The dataset is freely available at https://stanfordmlgroup.github.io/competitions/chexpert .

cs.CV↗