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6 results for “Biomedical Knowledge Graph”
Link-prediction on Biomedical Knowledge Graphs
<p>Release of code and experimental data from the paper <em>Towards Linking Graph Topology to Model Performance for Biomedical Knowledge Graph Completion </em>(<em>Machine Learning for Life and Material Sciences</em> workshop @ ICML2024) and <a href="https://arxiv.org/abs/2409.04103" rel="nofollow">The Role of Graph Topology in the Performance of Biomedical Knowledge Graph Completion Models</a>.</p> <div> <div>Knowledge Graph Completion has been increasingly adopted as a useful method for several tasks in biomedical research, like drug repurposing or drug-target identification. To that end, a variety of datasets and Knowledge Graph Embedding models has been proposed over the years. However, little is known about the properties that render a dataset useful for a given task and, even though theoretical properties of Knowledge Graph Embedding models are well understood, their practical utility in this field remains controversial. We conduct a comprehensive investigation into the topological properties of publicly available biomedical Knowledge Graphs and establish links to the accuracy observed in real-world applications. By releasing all model predictions we invite the community to build upon our work and continue improving the understanding of these crucial applications.</div> <div> </div> <div>Experiments were conducted on six datasets: five from the biomedical domain (<a href="../records/268568">Hetionet</a>, <a href="https://dataverse.harvard.edu/dataset.xhtml?persistentId=doi:10.7910/DVN/IXA7BM">PrimeKG</a>, <a href="../records/4077338">PharmKG</a>, <a href="../records/5361324">OpenBioLink2020 HQ</a>, <a href="../records/7011027">PharMeBINet</a>) and one trivia KG (<a href="https://aclanthology.org/W15-4007.pdf">FB15k-237</a>). All datasets were randomly split into training, validation and test set (80% / 10% / 10%; in the case of PharMeBINet, 99.3% / 0.35% / 0.35% to mitigate the increased inference cost on the larger dataset).</div> <div>On each dataset, five different KGE models were compared: <a href="https://dl.acm.org/doi/10.5555/2999792.2999923">TransE</a>, <a href="https://arxiv.org/abs/1412.6575">DistMult</a>, <a href="https://arxiv.org/abs/1902.10197">RotatE</a>, <a href="https://arxiv.org/abs/2209.08271">TripleRE</a>, <a href="https://dl.acm.org/doi/10.5555/3504035.3504256">ConvE</a>. Hyperparameters were tuned on the validation split (see final train configurations in <code>train/scripts</code>). We release results for tail predictions on the test split. In particular, each test query <code>(h,r,?)</code> is scored against all entities in the KG and we compute the rank of the score of the correct completion <code>(h,r,t)</code> , after masking out scores of other <code>(h,r,t')</code> triples contained in the graph.</div> <div>Note: the ranks provided are computed as the average between the optimistic and pessimistic ranks of triple scores.</div> <div> </div> <div>Inside <code>experimental_data.zip</code>, the following files are provided.</div> <div> <ul> <li><code>datasets/{dataset}</code>: a folder for each dataset, containing <ul> <li><code>{dataset}_preprocessing.ipynb</code>: a Jupyter notebook for downloading and preprocessing the datasets. In particular, this generates the custom label->ID mapping for entities and relations, and the numerical tensor of <code>(h_ID,r_ID,t_ID)</code> triples for all edges in the graph, which can be used to compute graph topological metrics (e.g., using <a href="https://github.com/graphcore-research/kg-topology-toolbox">kg-topology-toolbox</a>) and compare them with the edge prediction accuracy.</li> <li><code>test_ranks.csv</code>: csv table with columns <code>["h", "r", "t"]</code> specifying the head, relation, tail IDs of the test triples, and columns <code>["DistMult", "TransE", "RotatE", "TripleRE", "ConvE"]</code> with the rank of the ground-truth tail in the ordered list of predictions made by the five KGE models;</li> <li><code>entity_dict.csv</code>: list of entity labels, ordered by entity ID (as generated in the preprocessing notebook);</li> <li><code>relation_dict.csv</code>: list of relation labels, ordered by relation ID (as generated in the preprocessing notebook).</li> </ul> </li> <li><code>train</code>: code to reproduce training (and validation) of the five KGE models, using the <a href="https://github.com/graphcore-research/bess-kge">BESS-KGE</a> distribution framework. <ul> <li><code>train/scripts</code>: executable scripts, with specifications of the final hyperparameters for all models and datasets.</li> </ul> </li> <li><code>notebooks</code>: Jupyter notebooks for data analysis and generation of all the figures in the paper.</li> </ul> <p>The separate <code>top_100_tail_predictions.zip</code> archive contains, for each of the test queries in the corresponding <code>test_ranks.csv</code> table, the IDs of the top-100 tail predictions made by each of the five KGE models, ordered by decreasing likelihood. The predictions are released in a <code>.npz</code> archive of numpy arrays (one array of shape <code>(n_test_triples, 100)</code> for each of the KGE models). </p> </div> </div>
PrimeKGQA, the dataset from paper: Bridging the Gap: Generating a Comprehensive Biomedical Knowledge Graph Question Answering Dataset
<p>Despite the plethora of resources such as large-scale corpora and manually curated Knowledge Graphs (KGs), the ability to perform reasoning with natural language inputs over biomedical graphs remains challenging due to insufficient training data. We propose a novel method for automatically constructing a Biomedical Knowledge Graph Question Answering (BioKGQA) dataset sourced from PrimeKG, the largest precision medicine-oriented KG. In total,<br>we create 83999 question-answer pairs along with their respective SPARQL queries. Our approach generates a diverse array of contextually relevant questions covering a wide spectrum of biomedical concepts and levels of complexity. We evaluate our method based on automatic metrics alongside manual annotations. We establish novel standards tailored for KGQA systems to highlight the linguistic correctness and semantical faithfulness of the generated questions based on extracted KG facts. The compiled dataset – PrimeKGQA – serves as a valuable benchmarking resource for advancing knowledge-driven biomedical research and evaluating KGQA system.</p>
A Framework for Automated Construction of Heterogeneous Large-Scale Biomedical Knowledge Graphs (Recorded Talk)
<p>This entry contains the recording of the presentation that was presented at the 2020 Intelligent Systems for Molecular Biology as part of the Bio-Ontologies COSI (https://www.iscb.org/ismb2020).</p>
Combining biomedical knowledge graphs and text to improve predictions for drug-target interactions and drug-indications.
<p>The datasets used in the publications titled "Combining biomedical knowledge graphs and text to improve predictions for drug-target interactions and drug-indications"</p>
Benchmark datasets for biomedical knowledge graphs with negative statements
<p>We present a collection of datasets for three relation prediction tasks - protein-protein interaction prediction, gene-disease association prediction and disease prediction - that aim at circumventing the difficulties in building benchmarks for knowledge graphs with negative statements. These datasets include data from two successful biomedical ontologies, Gene Ontology and Human Phenotype Ontology, enriched with negative statements. </p>
Dataset: Relationship extraction for knowledge graph creation from biomedical literature (Gene-Disease relationships)
<p>This is the dataset used for classifying Gene-Disease relationship types from sentences. The dataset consists of 3 files:</p> <ul> <li>manually_annotated_set.xlsx - set of 2000 manualy annotated sentences with entities</li> <li>Unbalanced_dataset.xlsx - set of 12000 sentences, out of which 2000 are from the first set, manually annotated, and the rest have been added using rule based method by adding sentences where extraction had confidence 1.</li> <li>Balanced_dataset_SUB_PRED.xlsx - balanced dataset generated by taking 2000 manually annotated sentences, but then adding sentences from the rule-based method with confidence 1 in such a way that each relationship class had at least 1400 sentences (for biomarkers, we could obtain 1243 sentences with confidence 1 from a processed portion of the data we had at the time of building the dataset).</li> </ul> <p> </p>
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