{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/meta-learning-initializations-for-low","title":"Meta-Learning Initializations for Low-Resource Drug Discovery","arxiv_id":"2003.05996","date":"2020-03-12","proceeding":null,"authors":["Cuong Q. Nguyen","Constantine Kreatsoulas","Kim M. Branson"],"abstract":"Building in silico models to predict chemical properties and activities is a crucial step in drug discovery. However, drug discovery projects are often characterized by limited labeled data, hindering the applications of deep learning in this setting. Meanwhile advances in meta-learning have enabled state-of-the-art performances in few-shot learning benchmarks, naturally prompting the question: Can meta-learning improve deep learning performance in low-resource drug discovery projects? In this work, we assess the efficiency of the Model-Agnostic Meta-Learning (MAML) algorithm - along with its variants FO-MAML and ANIL - at learning to predict chemical properties and activities. Using the ChEMBL20 dataset to emulate low-resource settings, our benchmark shows that meta-initializations perform comparably to or outperform multi-task pre-training baselines on 16 out of 20 in-distribution tasks and on all out-of-distribution tasks, providing an average improvement in AUPRC of 7.2% and 14.9% respectively. Finally, we observe that meta-initializations consistently result in the best performing models across fine-tuning sets with $k \\in \\{16, 32, 64, 128, 256\\}$ instances.","url_abs":"https://arxiv.org/abs/2003.05996v1","url_pdf":"https://arxiv.org/pdf/2003.05996v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"abstracts"},"code_links":[{"paper_slug":"meta-learning-initializations-for-low","repo_url":"https://github.com/GSK-AI/meta-learning-qsar","is_official":1,"mentioned_in_paper":0,"mentioned_in_github":1,"framework":"pytorch","reach":{"status":"ok","spdx":"MIT"}}],"tasks":[{"task_slug":"drug-discovery","task_name":"Drug Discovery"},{"task_slug":"few-shot-learning","task_name":"Few-Shot Learning"},{"task_slug":"meta-learning","task_name":"Meta-Learning"}],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":"https://app.syntology.ai/?focus=2003.05996","mcp":{"get_harvested_code_for_paper":{"arxiv_id":"2003.05996"}},"developers":"https://syntology.ai/developers","read_at":"2026-09-24T18:15:14+00:00","read_at_is":"when the build read Syntology's graph, not when any sample ran","claim":"Per-sample execution status on synthesized fixtures; not a correctness claim about the paper. Samples come from repositories linked to the paper, official or community; repo_kind says which.","repos":[{"provenance":"external:paperswithcode_snapshot_2025-07-28","url":"https://github.com/GSK-AI/meta-learning-qsar","reach":{"status":"ok","spdx":"MIT"}}],"summary":{"unverified":1},"by_repo_kind":{"official":{"samples":1,"ran":0,"repositories":1}},"repo_kind_vocabulary":{"official":"The archive marks this repository official for the paper","named_in_paper":"The archive records that the paper mentions this repository; it is not marked official","listed":"In the archive's code links for this paper, not marked official and not recorded as mentioned in the paper","found_in_text":"Syntology found this repository in the paper's own text; whether it is the authors' implementation is not asserted","community":"Not in the archive's code links for this paper; a community repository Syntology harvested"},"n_pointer_only_for_licence":0,"samples":[{"code_sha256_prefix":"11309724d248befb","entry":"save_best_model","repo":"GSK-AI/meta-learning-qsar","repo_kind":"official","path":"src/validate_maml.py","file_url":"https://github.com/GSK-AI/meta-learning-qsar/blob/HEAD/src/validate_maml.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"11309724d248befb"}}]},"arxiv_metadata":null,"syntology_extracted_results":null}