Large Language Models (LLMs) have demonstrated capabilities for natural language formulations of molecular property prediction tasks, but little is known about how performance depends on the representation of input molecules to the model; the status quo approach is to use SMILES strings, although alternative chemical notations convey molecular information differently, each with their own strengths and weaknesses.To learn more about molecular string representation preferences in LLMs, we compare the performance of four recent models-GPT-4o, Gemini 1.5 Pro, Llama 3.1 405b, and Mistral Large 2-on molecular property prediction tasks from the MoleculeNet benchmark across five different molecular string representations: SMILES, DeepSMILES, SELF-IES, InChI, and IUPAC names.We find statistically significant zero-and few-shot preferences for InChI and IUPAC names, potentially due to representation granularity, favorable tokenization, and prevalence in pretraining corpora.This contradicts previous assumptions that molecules should be presented to LLMs as SMILES strings.When these preferences are taken advantage of, few-shot performance rivals or surpasses many previous conventional approaches to property prediction, with the advantage of explainable predictions through chain-of-thought reasoning not held by taskspecific models.

Event Coreference Resolution (ECR) as a pairwise mention classification task is expensive both for automated systems and manual annotations. The task’s quadratic difficulty is exacerbated when using Large Language Models (LLMs), making prompt engineering for ECR prohibitively costly. In this work, we propose a graphical representation of events, X-AMR, anchored around individual mentions using a cross-document version of Abstract Meaning Representation. We then linearize the ECR with a novel multi-hop coreference algorithm over the event graphs. The event graphs simplify ECR, making it a) LLM cost-effective, b) compositional and interpretable, and c) easily annotated. For a fair assessment, we first enrich an existing ECR benchmark dataset with these event graphs using an annotator-friendly tool we introduce. Then, we employ GPT-4, the newest LLM by OpenAI, for these annotations. Finally, using the ECR algorithm, we assess GPT-4 against humans and analyze its limitations. Through this research, we aim to advance the state-of-the-art for efficient ECR and shed light on the potential shortcomings of current LLMs at this task. Code and annotations: https://github.com/ahmeshaf/gpt_coref

Event coreference resolution (ECR) is the task of determining whether distinct mentions of events within a multi-document corpus are actually linked to the same underlying occurrence. Images of the events can help facilitate resolution when language is ambiguous. Here, we propose a multimodal cross-document event coreference resolution method that integrates visual and textual cues with a simple linear map between vision and language models. As existing ECR benchmark datasets rarely provide images for all event mentions, we augment the popular ECB+ dataset with event-centric images scraped from the internet and generated using image diffusion models. We establish three methods that incorporate images and text for coreference: 1) a standard fused model with finetuning, 2) a novel linear mapping method without finetuning and 3) an ensembling approach based on splitting mention pairs by semantic and discourse-level difficulty. We evaluate on 2 datasets: the augmented ECB+, and AIDA Phase 1. Our ensemble systems using cross-modal linear mapping establish an upper limit (91.9 CoNLL F1) on ECB+ ECR performance given the preprocessing assumptions used, and establish a novel baseline on AIDA Phase 1. Our results demonstrate the utility of multimodal information in ECR for certain challenging coreference problems, and highlight a need for more multimodal resources in the coreference resolution space.