The Climate Change Knowledge Graph: Supporting Climate Services

Understanding climate change requires reasoning over complex causal networks. Yet, existing causal discovery datasets predominantly capture explicit, direct causal relations. We introduce ClimateCause, a manually expert-annotated dataset of higher-order causal structures from science-for-policy climate reports, including implicit and nested causality. Cause-effect expressions are normalized and disentangled into individual causal relations to facilitate graph construction, with unique annotations for cause-effect correlation, relation type, and spatiotemporal context. We further demonstrate ClimateCause's value for quantifying readability based on the semantic complexity of causal graphs underlying a statement. Finally, large language model benchmarking on correlation inference and causal chain reasoning highlights the latter as a key challenge.

The rapid expansion of scientific literature far outpaces the speed of manual curation, creating a fundamental bottleneck in extracting structured knowledge from scientific texts. To address this, we introduce an agentic, ontology-guided framework for knowledge graph (KG) construction. Our framework utilizes specialized agents for document understanding, information extraction, ontology conformance, and entity linking. First, an LLM extracts factual knowledge in the form of triples with explicit textual evidence from research papers. Then the triplets undergo a multistage verification process to ground the triplets in the ontology. By enforcing schema constraints and requiring evidence in the form of text fragments, we ensure the data is both semantically consistent and traceable. In an agreement study over 1,000 extracted triplets, Gemini-2.5-flash achieves Cohen's $κ$ scores of 0.640--0.700 against three human annotators, matching the human--human agreement range of 0.616--0.689. We applied this framework to 2,000 scientific publications and construct a novel, ontology-grounded KG for climate science with 133,990 nodes and 755,308 relations; of the 23,327 triplets that the publications contribute after validation, 98.96% are judged correct. The pipeline code and KG is publicly available https://github.com/aayushacharya/climatekg.

The reuse of atomistic simulation data is often limited by heterogeneous formats, incomplete metadata, and a lack of standardized representations of workflows and provenance. Here we present an ontology-based infrastructure for representing and integrating atomistic simulation data as a knowledge graph. The approach combines domain ontologies with a software framework that enables data capture both from existing datasets and directly from simulation workflows at the point of generation. Heterogeneous data from multiple sources are normalized into a common, ontology-aligned representation, enabling consistent querying and analysis across datasets. We demonstrate these capabilities through the integration of grain boundary data, cross-dataset analysis of material properties, and extraction of derived thermodynamic quantities from existing simulations. In addition, workflows are represented in a machine-readable form, enabling both forward provenance tracking and partial reconstruction of computational procedures. The resulting knowledge graph contains over 750,000 triples describing nearly 8,000 computational samples. This work provides a practical framework for improving the findability, interoperability, and reuse of atomistic simulation data.