{"id":13,"date":"2025-09-01T04:44:24","date_gmt":"2025-09-01T04:44:24","guid":{"rendered":"https:\/\/aaai26.aidd.sg\/?page_id=13"},"modified":"2026-01-25T01:19:28","modified_gmt":"2026-01-25T01:19:28","slug":"schedule","status":"publish","type":"page","link":"https:\/\/aaai26.aidd.sg\/index.php\/schedule\/","title":{"rendered":"Schedule"},"content":{"rendered":"\n<p><strong>09:00 &#8211; 9:10 Opening Remarks<\/strong><\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<p><strong>09:10 -10:30 | Session I: De-novo Drug Design<\/strong><\/p>\n\n\n\n<p class=\"has-medium-font-size\">Chair: Dr. James Lu<\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li class=\"has-accent-3-color has-text-color has-link-color has-medium-font-size wp-elements-22b8fc1ed01e0f49072ef816f7e6d719\">09:10 &#8211; 09:40 <strong><a href=\"https:\/\/aaai26.aidd.sg\/index.php\/speakers\/#speaker_gisbert\" data-type=\"page\" data-id=\"15\">Gisbert Schneider<\/a><\/strong> (ETH Z\u00fcrich) <em>Drug design with machine intelligence<\/em><\/li>\n\n\n\n<li class=\"has-accent-3-color has-text-color has-link-color has-medium-font-size wp-elements-f14beb9f9d37c2b04b026365e2f5f1bf\">09:40 &#8211; 10:10 <strong><a href=\"https:\/\/aaai26.aidd.sg\/index.php\/speakers\/#speaker_djork_arne\" data-type=\"page\" data-id=\"15\">Djork-Arn\u00e9 Clevert<\/a><\/strong> (Pfizer) <em>From Models to Molecules: Controllable, Structure-Based Molecular Generation<\/em><\/li>\n\n\n\n<li class=\"has-medium-font-size\">10:10 &#8211; 10:20 <strong><span style=\"text-decoration: underline;\">Mahule Roy<\/span>,&nbsp;Subhas Roy<\/strong>: <em>Co-Diffuse: Generative Co-Design of Protein\u2013Ligand Interactions via 3D Equivariant Diffusion Models with Induced-Fit Awareness<\/em><\/li>\n\n\n\n<li class=\"has-medium-font-size\">10:20 &#8211; 10:30 <strong><span style=\"text-decoration: underline;\">Alessandro Luongo<\/span>,&nbsp;Konstantina Koteva,&nbsp;El Amine Cherrat,&nbsp;Enrico Petretto,&nbsp;Alexander Rodin<\/strong> <em>Quantum-Enhanced Generative AI Pipeline for Molecular Design<\/em><\/li>\n<\/ul>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<p><strong>10:30 &#8211; 11:00&nbsp;&nbsp;Coffee\/Tea Break<\/strong><\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<p><strong>11:00 &#8211; 12:20 | Session II: Active Learning<\/strong><\/p>\n\n\n\n<p class=\"has-medium-font-size\">Chair: Dr. Petra Schneider<\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li class=\"has-accent-3-color has-text-color has-link-color has-medium-font-size wp-elements-5469c76dd40a212bcd607a8d6e4e9ed8\">11:00 &#8211; 11:30 <strong><a href=\"https:\/\/aaai26.aidd.sg\/index.php\/speakers\/#speaker_jb_brown\" data-type=\"page\" data-id=\"15\">J.B. Brown<\/a><\/strong> (Boehringer-Ingelheim) <em>Active Learning Drug Discovery at Boehringer-Ingelheim : expectations, realities, and best practices<\/em><\/li>\n\n\n\n<li class=\"has-accent-3-color has-text-color has-link-color has-medium-font-size wp-elements-15993c75d227086ddf519e6625611854\">11:30 &#8211; 12:00 <strong><a href=\"https:\/\/aaai26.aidd.sg\/index.php\/speakers\/#speaker_jake_taylor_king\" data-type=\"page\" data-id=\"15\">Jake Taylor-King<\/a><\/strong> (Relation Therapeutics) <em>AI in genomics: genetics, spatial transcriptomics, and experimental design<\/em><\/li>\n\n\n\n<li class=\"has-contrast-color has-text-color has-link-color has-medium-font-size wp-elements-ddf73c33e530637b8e5d981454154b18\">12:00 &#8211; 12:10 <strong>Samarth Kadaba,&nbsp;Connor C. Call,&nbsp;Alexander E. Vlahos,&nbsp;Hank Jones,&nbsp;Xiaojing J Gao<\/strong> <em>SMPO: Score-Matching Preference Optimization for Protein Fitness Modeling<\/em><\/li>\n\n\n\n<li class=\"has-medium-font-size\">12:10 &#8211; 12:20 <strong>Mehyar Mlaweh,&nbsp;Tristan Cazenave,&nbsp;Ines Alaya<\/strong> <em>BeeRNA: tertiary structure-based RNA inverse folding using Artificial Bee Colony<\/em><\/li>\n<\/ul>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<p><strong>12:20 &#8211; 13:50&nbsp;&nbsp;Lunch<\/strong><\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<p><strong>13:50 &#8211; 15:10 | Session III: Multi-Modal Learning:<\/strong><\/p>\n\n\n\n<p class=\"has-medium-font-size\">Chair: Prof. Gisbert Schneider<\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li class=\"has-accent-3-color has-text-color has-link-color has-medium-font-size wp-elements-5f92ba503b719cf20f52adf20c0ea56c\">13:50 &#8211; 14:20 <a href=\"https:\/\/aaai26.aidd.sg\/index.php\/speakers\/#speaker_le_song\" data-type=\"page\" data-id=\"15\"><strong>Le Song<\/strong><\/a> (GenBio AI) <em>Towards AI-Driven Digital Organism: A System of Multiscale Foundation Models for Biology<\/em><\/li>\n\n\n\n<li class=\"has-accent-3-color has-text-color has-link-color has-medium-font-size wp-elements-cd34ed79e4fb5bb156b4dd341ed19145\">14:20 &#8211; 14:50 <a href=\"https:\/\/aaai26.aidd.sg\/index.php\/speakers\/#speaker_jianying\" data-type=\"page\" data-id=\"15\"><strong>Jianying Hu<\/strong><\/a>(IBM) <em>GenAI for Biomedical Research and Discovery<\/em><\/li>\n\n\n\n<li class=\"has-medium-font-size\">14:50 &#8211; 15:00 <strong>Le Huy Khiem,&nbsp;Sreejata Dey,&nbsp;Marcos Mart\u00ednez Galindo,&nbsp;Vanessa Lopez,&nbsp;Ting Hua,&nbsp;Nitesh V Chawla,&nbsp;Hoang Thanh Lam <\/strong><em>Towards Generalist Large Language Models for Molecular Property Prediction: Distilling Knowledge from Specialist Models<\/em><\/li>\n\n\n\n<li class=\"has-medium-font-size\">15:00 &#8211; 15:10 <strong>Ahmed A. A. Elhag,&nbsp;<span style=\"text-decoration: underline;\">Arun Raja,<\/span>&nbsp;Alex Morehead,&nbsp;Samuel M Blau,&nbsp;Garrett M Morris,&nbsp;Michael M. Bronstein <\/strong><em>Learning Inter-Atomic Potentials without Explicit Equivariance<\/em><\/li>\n<\/ul>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<p><strong>15:10 &#8211; 16:30&nbsp;&nbsp;Poster Session &amp; Coffee Break <\/strong><\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<p><strong>16:30 &#8211; 17:50 | Session IV: Causal AI<\/strong><\/p>\n\n\n\n<p class=\"has-medium-font-size\">Chair: Dr. Roland Huber<\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li class=\"has-accent-3-color has-text-color has-link-color has-medium-font-size wp-elements-bf8480fb935b582706ae3ec933851025\">16:30 &#8211; 17:00 <strong><a href=\"https:\/\/aaai26.aidd.sg\/index.php\/speakers\/#speaker_patrick_schwab\" data-type=\"page\" data-id=\"15\">Patrick Schwab<\/a><\/strong> (GSK) Working smarter, not harder in drug development: AI assistants for accelerating biological discovery<\/li>\n\n\n\n<li class=\"has-accent-3-color has-text-color has-link-color has-medium-font-size wp-elements-da9ca2e4235f4eeaecc79069d8f4e6df\">17:00 &#8211; 17:30 <strong><a href=\"https:\/\/aaai26.aidd.sg\/index.php\/speakers\/#speaker_yoshihiro_yamanishi\" data-type=\"page\" data-id=\"15\">Yoshihiro Yamanishi<\/a><\/strong> (Nagoya University) <em>Data-driven identification of therapeutic targets and drug candidates<br>through machine learning<\/em><\/li>\n\n\n\n<li class=\"has-medium-font-size\">17:30 &#8211; 17:40 <strong>David Scott Lewis,&nbsp;Enrique Zueco<\/strong> <em>Agentic Causal Graph Learning for Drug Target Discovery: A Self-Directed AI System at STRING Scale<\/em><\/li>\n\n\n\n<li class=\"has-medium-font-size\">17:40 &#8211; 17:50 <strong><span style=\"text-decoration: underline;\">Crystal Su<\/span><\/strong> <em>MedRule-KG: A Knowledge-Graph&#8211;Steered Scaffold for Reliable Mathematical and Biomedical Reasoning<\/em><\/li>\n<\/ul>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<p><strong>17:50 \u2013 18:00&nbsp;Closing Remarks<\/strong><\/p>\n","protected":false},"excerpt":{"rendered":"<p>09:00 &#8211; 9:10 Opening Remarks 09:10 -10:30 | Session I: De-novo Drug Design Chair: Dr. James Lu 10:30 &#8211; 11:00&nbsp;&nbsp;Coffee\/Tea Break 11:00 &#8211; 12:20 | Session II: Active Learning Chair: Dr. Petra Schneider 12:20 &#8211; 13:50&nbsp;&nbsp;Lunch 13:50 &#8211; 15:10 | Session III: Multi-Modal Learning: Chair: Prof. Gisbert Schneider 15:10 &#8211; 16:30&nbsp;&nbsp;Poster Session &amp; Coffee Break [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-13","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/aaai26.aidd.sg\/index.php\/wp-json\/wp\/v2\/pages\/13","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/aaai26.aidd.sg\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/aaai26.aidd.sg\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/aaai26.aidd.sg\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/aaai26.aidd.sg\/index.php\/wp-json\/wp\/v2\/comments?post=13"}],"version-history":[{"count":44,"href":"https:\/\/aaai26.aidd.sg\/index.php\/wp-json\/wp\/v2\/pages\/13\/revisions"}],"predecessor-version":[{"id":193,"href":"https:\/\/aaai26.aidd.sg\/index.php\/wp-json\/wp\/v2\/pages\/13\/revisions\/193"}],"wp:attachment":[{"href":"https:\/\/aaai26.aidd.sg\/index.php\/wp-json\/wp\/v2\/media?parent=13"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}