Predicting unknown drug-drug interactions (DDIs) is crucial for improving medication safety. Previous efforts in DDI prediction have typically focused on binary classification or predicting DDI categories, with the absence of explanatory insights that could enhance trust in these predictions. In this work, we propose to generate natural language explanations for DDI predictions, enabling the model to reveal the underlying pharmacodynamics and pharmacokinetics mechanisms simultaneously as making the prediction. To do this, we have collected DDI explanations from DDInter and DrugBank and developed various models for extensive experiments and analysis. Our models can provide accurate explanations for unknown DDIs between known drugs. This paper contributes new tools to the field of DDI prediction and lays a solid foundation for further research on generating explanations for DDI predictions.

Large Language Models (LLMs) have the potential of facilitating the development of Artificial Intelligence technology to assist medical experts for interactive decision support, which has been demonstrated by their competitive performances in Medical QA. However, while impressive, the required quality bar for medical applications remains far from being achieved. Currently, LLMs remain challenged by outdated knowledge and by their tendency to generate hallucinated content. Furthermore, most benchmarks to assess medical knowledge lack reference gold explanations which means that it is not possible to evaluate the reasoning of LLMs predictions. Finally, the situation is particularly grim if we consider benchmarking LLMs for languages other than English which remains, as far as we know, a totally neglected topic. In order to address these shortcomings, in this paper we present MedExpQA, the first multilingual benchmark based on medical exams to evaluate LLMs in Medical Question Answering. To the best of our knowledge, MedExpQA includes for the first time reference gold explanations written by medical doctors which can be leveraged to establish various gold-based upper-bounds for comparison with LLMs performance. Comprehensive multilingual experimentation using both the gold reference explanations and Retrieval Augmented Generation (RAG) approaches show that performance of LLMs still has large room for improvement, especially for languages other than English. Furthermore, and despite using state-of-the-art RAG methods, our results also demonstrate the difficulty of obtaining and integrating readily available medical knowledge that may positively impact results on downstream evaluations for Medical Question Answering. So far the benchmark is available in four languages, but we hope that this work may encourage further development to other languages.

Large language models (LLMs) have exhibited remarkable capabilities in learning from explanations in prompts, but there has been limited understanding of exactly how these explanations function or why they are effective. This work aims to better understand the mechanisms by which explanations are used for in-context learning. We first study the impact of two different factors on the performance of prompts with explanations: the computation trace (the way the solution is decomposed) and the natural language used to express the prompt. By perturbing explanations on three controlled tasks, we show that both factors contribute to the effectiveness of explanations. We further study how to form maximally effective sets of explanations for solving a given test query. We find that LLMs can benefit from the complementarity of the explanation set: diverse reasoning skills shown by different exemplars can lead to better performance. Therefore, we propose a maximal marginal relevance-based exemplar selection approach for constructing exemplar sets that are both relevant as well as complementary, which successfully improves the in-context learning performance across three real-world tasks on multiple LLMs.

Building compositional explanations requires models to combine two or more facts that, together, describe why the answer to a question is correct. Typically, these "multi-hop" explanations are evaluated relative to one (or a small number of) gold explanations. In this work, we show these evaluations substantially underestimate model performance, both in terms of the relevance of included facts, as well as the completeness of model-generated explanations, because models regularly discover and produce valid explanations that are different than gold explanations. To address this, we construct a large corpus of 126k domain-expert (science teacher) relevance ratings that augment a corpus of explanations to standardized science exam questions, discovering 80k additional relevant facts not rated as gold. We build three strong models based on different methodologies (generation, ranking, and schemas), and empirically show that while expert-augmented ratings provide better estimates of explanation quality, both original (gold) and expert-augmented automatic evaluations still substantially underestimate performance by up to 36% when compared with full manual expert judgements, with different models being disproportionately affected. This poses a significant methodological challenge to accurately evaluating explanations produced by compositional reasoning models.

The TextGraphs-13 Shared Task on Explanation Regeneration asked participants to develop methods to reconstruct gold explanations for elementary science questions. Red Dragon AI's entries used the language of the questions and explanation text directly, rather than a constructing a separate graph-like representation. Our leaderboard submission placed us 3rd in the competition, but we present here three methods of increasing sophistication, each of which scored successively higher on the test set after the competition close.