This paper introduces UnSeenTimeQA, a novel data contamination-free time-sensitive question-answering (TSQA) benchmark. It differs from existing TSQA benchmarks by avoiding web-searchable queries grounded in the real world. We present a series of time-sensitive event scenarios based on synthetically generated facts. It requires large language models (LLMs) to engage in genuine temporal reasoning without depending on the factual knowledge acquired during the pre-training phase. Our data generation framework enables on-demand generation of new samples, mitigating the risk of data leakage. We designed three types of time-sensitive questions to test LLMs’ temporal reasoning abilities over sequential and parallel event occurrences. Our evaluation of five LLMs on synthetic fact-based TSQA reveals mixed results: while they perform well on simpler subsets, their overall performance remains inferior as compared to real world fact-based TSQA. Error analysis indicates that LLMs face difficulties in reasoning over long-range event dependencies and parallel events.

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this process. We explore the potential of LLMs to generate viable hypotheses that, once validated, can expedite materials discovery. Collaborating with materials science experts, we curated a novel dataset from recent journal publications, featuring real-world goals, constraints, and methods for designing real-world applications. Using this dataset, we test LLM-based agents that generate hypotheses for achieving given goals under specific constraints. To assess the relevance and quality of these hypotheses, we propose a novel scalable evaluation metric that emulates the process a materials scientist would use to evaluate a hypothesis critically. Our curated dataset, proposed method, and evaluation framework aim to advance future research in accelerating materials discovery and design with LLMs.