SHACL-SKOS Based Knowledge Representation of Material Safety Data Sheet (SDS) for the Pharmaceutical Industry

We report the development of a knowledge representation and reasoning (KRR) system built on hybrid SHACL-SKOS ontologies for globally harmonized system (GHS) material Safety Data Sheets (SDS) to enhance chemical safety communication and regulatory compliance. SDS are comprehensive documents containing safety and handling information for chemical substances. Thus, they are an essential part of workplace safety and risk management. However, the vast number of Safety Data Sheets from multiple organizations, manufacturers, and suppliers that produce and distribute chemicals makes it challenging to centralize and access SDS documents through a single repository. To accomplish the underlying issues of data exchange related to chemical shipping and handling, we construct SDS related controlled vocabulary and conditions validated by SHACL, and knowledge systems of similar domains linked via SKOS. The resulting hybrid ontologies aim to provide standardized yet adaptable representations of SDS information, facilitating better data sharing, retrieval, and integration across various platforms. This paper outlines our SHACL-SKOS system architectural design and showcases our implementation for an industrial application streamlining the generation of a composite shipping cover sheet.

Let's Think Var-by-Var: Large Language Models Enable Ad Hoc Probabilistic Reasoning

A hallmark of intelligence is the ability to flesh out underspecified situations using "common sense." We propose to extract that common sense from large language models (LLMs), in a form that can feed into probabilistic inference. We focus our investigation on $\textit{guesstimation}$ questions such as "How much are Airbnb listings in Newark, NJ?" Formulating a sensible answer without access to data requires drawing on, and integrating, bits of common knowledge about how $\texttt{Price}$ and $\texttt{Location}$ may relate to other variables, such as $\texttt{Property Type}$. Our framework answers such a question by synthesizing an $\textit{ad hoc}$ probabilistic model. First we prompt an LLM to propose a set of random variables relevant to the question, followed by moment constraints on their joint distribution. We then optimize the joint distribution $p$ within a log-linear family to maximize the overall constraint satisfaction. Our experiments show that LLMs can successfully be prompted to propose reasonable variables, and while the proposed numerical constraints can be noisy, jointly optimizing for their satisfaction reconciles them. When evaluated on probabilistic questions derived from three real-world tabular datasets, we find that our framework performs comparably to a direct prompting baseline in terms of total variation distance from the dataset distribution, and is similarly robust to noise.