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, SELFIES, 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 task-specific models.

Language models (LMs) have excelled in various broad domains. However, to ensure their safe and effective integration into real-world educational settings, they must demonstrate proficiency in specific, granular areas of knowledge. Existing cloze-style benchmarks, commonly used to evaluate LMs’ knowledge, have three major limitations. They: 1) do not cover the educational domain; 2) typically focus on low-complexity, generic knowledge or broad domains, which do not adequately assess the models’ knowledge in specific subjects; and 3) often rely on templates that can bias model predictions. Here, we introduce MALAMUTE, a multilingual, template-free, and highly granular probing dataset comprising expert-written, peer-reviewed probes from 71 university-level textbooks across three languages (English, Spanish, and Polish). MALAMUTE is the first education-based cloze-style dataset. It covers eight domains, each with up to 14 subdomains, further broken down into concepts and concept-based prompts, totaling 33,361 university curriculum concepts and 116,887 prompts. MALAMUTE’s fine granularity, educational focus, and inclusion of both sentence-level and paragraph-level prompts make it an ideal tool for evaluating LMs’ course-related knowledge. Our evaluation of masked and causal LMs on MALAMUTE shows that despite overall proficiency, they have significant gaps in knowledge when examined closely on specific subjects, hindering their safe use in classrooms and underscoring the need for further development.

Understanding the structure of multi-party conversation and the intentions and dialogue acts of each speaker remains a significant challenge in NLP. While a number of corpora annotated using theoretical frameworks of dialogue have been proposed, these typically focus on either utterance-level labeling of speaker intent, missing wider context, or the rhetorical structure of a dialogue, losing fine-grained intents captured in dialogue acts. Recently, the Dependency Dialogue Acts (DDA) framework has been proposed to for modeling both the fine-grained intents of each speaker and the structure of multi-party dialogues. However, there is not yet a corpus annotated with this framework available for the community to study. To address this gap, we introduce a new corpus of 33 dialogues and over 9,000 utterance units, densely annotated using the Dependency Dialogue Acts (DDA) framework.Our dataset spans four genres of multi-party conversations from different modalities: (1) physics classroom discussions, (2) engineering classroom discussions, (3) board game interactions, and (4) written online game chat logs. Each session is doubly annotated and adjudicated to ensure high-quality labeling. We present a description of the dataset and annotation process, an analysis of speaker dynamics enabled by our annotation, and a baseline evaluation of LLMs as DDA parsers. We discuss the implications of this dataset understanding dynamics between speakers and for developing more controllable dialogue agents.

The most popular Cross-Document Event Coreference Resolution (CDEC) datasets fail to convey the true difficulty of the task, due to the lack of lexical diversity between coreferring event triggers (words or phrases that refer to an event). Furthermore, there is a dearth of event datasets for figurative language, limiting a crucial avenue of research in event comprehension. We address these two issues by introducing ECB+META, a lexically rich variant of Event Coref Bank Plus (ECB+) for CDEC on symbolic and metaphoric language. We use ChatGPT as a tool for the metaphoric transformation of sentences in the documents of ECB+, then tag the original event triggers in the transformed sentences in a semi-automated manner. In this way, we avoid the re-annotation of expensive coreference links. We present results that show existing methods that work well on ECB+ struggle with ECB+META, thereby paving the way for CDEC research on a much more challenging dataset. Code/data: https://github.com/ahmeshaf/llms_coref

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.

Abstract Meaning Representation (AMR) is a semantic formalism that captures the core meaning of an utterance. There has been substantial work developing AMR corpora in English and more recently across languages, though the limited size of existing datasets and the cost of collecting more annotations are prohibitive. With both engineering and scientific questions in mind, we introduce MASSIVE-AMR, a dataset with more than 84,000 text-to-graph annotations, currently the largest and most diverse of its kind: AMR graphs for 1,685 information-seeking utterances mapped to 50+ typologically diverse languages. We describe how we built our resource and its unique features before reporting on experiments using large language models for multilingual AMR and SPARQL parsing as well as applying AMRs for hallucination detection in the context of knowledge base question answering, with results shedding light on persistent issues using LLMs for structured parsing.