{"id":1374,"date":"2025-10-12T12:25:04","date_gmt":"2025-10-12T19:25:04","guid":{"rendered":"https:\/\/faculty.engineering.asu.edu\/hong\/?page_id=1374"},"modified":"2025-10-12T12:27:47","modified_gmt":"2025-10-12T19:27:47","slug":"debye-temperature","status":"publish","type":"page","link":"https:\/\/faculty.engineering.asu.edu\/hong\/debye-temperature\/","title":{"rendered":"Debye Temperature"},"content":{"rendered":"<div class=\"wp-bootstrap-blocks-container container mb-2\">\n\t\n<div class=\"wp-bootstrap-blocks-row row\">\n\t\n\n<div class=\"col-12 col-md-10\">\n\t\t\t\n<div class=\"wp-bootstrap-blocks-container container mb-2\">\n\t\n<script>\nvar 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                   <p class='gform_description'>an ensemble of 15 GNN models<\/p>\n                        <\/div><form method='post' enctype='multipart\/form-data'  id='gform_16'  action='\/hong\/wp-json\/wp\/v2\/pages\/1374' data-formid='16' novalidate>\n                        <div class='gform-body gform_body'><div id='gform_fields_16' class='gform_fields top_label form_sublabel_below description_below validation_below'><div id=\"field_16_9\" class=\"gfield gfield--type-text gfield--input-type-text gfield--width-half field_sublabel_below gfield--has-description field_description_below field_validation_below gfield_visibility_visible\"  ><label class='gfield_label gform-field-label' for='input_16_9'><span class='gform-field-label__text'>Chemical Formula<\/span><\/label><div class='ginput_container ginput_container_text'><input name='input_9' id='input_16_9' type='text' value='GaN' class='large'  aria-describedby=\"gfield_description_16_9\"    aria-invalid=\"false\"   \/><\/div><div class='gfield_description' id='gfield_description_16_9'>Try GaN, or ZrO2, or HfC_0.93, or Ni_10Fe_72Cr_18<\/div><\/div><\/div><\/div>\n        <div class='gform-footer gform_footer top_label'> <button type='submit' id='gform_submit_button_16' class='gform_button button' onclick='gform.submission.handleButtonClick(this);' data-submission-type='submit' >Compute<\/button> \n            <input type='hidden' class='gform_hidden' name='gform_submission_method' data-js='gform_submission_method_16' value='postback' \/>\n            <input type='hidden' class='gform_hidden' name='gform_theme' data-js='gform_theme_16' id='gform_theme_16' value='gravity-theme' \/>\n            <input type='hidden' class='gform_hidden' name='gform_style_settings' data-js='gform_style_settings_16' id='gform_style_settings_16' value='[]' \/>\n            <input type='hidden' class='gform_hidden' name='is_submit_16' value='1' \/>\n            <input type='hidden' class='gform_hidden' name='gform_submit' value='16' 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type='hidden' autocomplete='off' class='gform_hidden' name='gform_target_page_number_16' id='gform_target_page_number_16' value='0' \/>\n            <input type='hidden' autocomplete='off' class='gform_hidden' name='gform_source_page_number_16' id='gform_source_page_number_16' value='1' \/>\n            <input type='hidden' name='gform_field_values' value='' \/>\n            \n        <\/div>\n                        <\/form>\n                        <\/div>\n<\/div>\n\n\n\n<p>Cite this model: <\/p>\n<p>Si-Da Xue and Qi-Jun Hong, Materials Properties Prediction (MAPP): Empowering the Prediction of Material Properties Solely Based on Chemical Formulas, Materials, 2024. <a href=\"https:\/\/doi.org\/10.3390\/ma17174176\"> Download<\/a>. <\/p>\n\n\n\n<p>This model is currently deployed on Microsoft Azure and the Research Computing facilities at ASU. Due to network limit, computation may take up to 10 seconds.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><h2>Metrics<\/h2><\/p>\n\n\n\n<p>R2 training score:  0.97<\/p>\n<p>R2  testing score:  0.91<\/p>\n<p>Root mean square error, training:  26 Kelvin<\/p>\n<p>Root mean square error,  testing:  60 Kelvin<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><h2>What is new<\/h2><\/p>\n\n\n\n<p>Version 1: ensemble of 15 deep learning models.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><h2> About this model <\/h2><\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img decoding=\"async\" src=\"https:\/\/faculty.engineering.asu.edu\/hong\/wp-content\/uploads\/sites\/65\/2022\/07\/gnn_arch.png\" alt=\"\" class=\"wp-image-760\"\/><figcaption class=\"wp-element-caption\">This model is based on Graph Neural Network (GNN) and Residual Neural Network (ResNet).<\/figcaption><\/figure>\n\n\n\n<figure class=\"wp-block-image size-large is-resized\"><img decoding=\"async\" src=\"https:\/\/faculty.engineering.asu.edu\/hong\/wp-content\/uploads\/sites\/65\/2023\/04\/bagging.png\" alt=\"\" class=\"wp-image-760\" style=\"width:454px;height:222px\"\/><figcaption class=\"wp-element-caption\">This ensemble model is based on bootstrap aggregating (bagging).<\/figcaption><\/figure>\n\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n\n\t<\/div>\n\n\n\n<div class=\"col-12\">\n\t\t\t\n\n<p class=\"wp-block-paragraph\"><h2>Video Introduction<\/h2><\/p>\n\n\n\n<figure class=\"wp-block-video\"><video height=\"1120\" style=\"aspect-ratio: 1920 \/ 1120;\" width=\"1920\" controls src=\"https:\/\/faculty.engineering.asu.edu\/hong\/wp-content\/uploads\/sites\/65\/2022\/03\/GMT20220310-041327_Recording_1920x1120_3.mp4\"><\/video><\/figure>\n\n\t<\/div>\n\n<\/div>\n\n<\/div>\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":149,"featured_media":0,"parent":0,"menu_order":7,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_acf_changed":false,"footnotes":""},"class_list":["post-1374","page","type-page","status-publish","hentry"],"uds_featured_image":null,"acf":[],"_links":{"self":[{"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/pages\/1374","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/users\/149"}],"replies":[{"embeddable":true,"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/comments?post=1374"}],"version-history":[{"count":0,"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/pages\/1374\/revisions"}],"wp:attachment":[{"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/media?parent=1374"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}