Complex Logical Instruction Generation

Instruction following has catalyzed the recent era of Large Language Models (LLMs) and is the foundational skill underpinning more advanced capabilities such as reasoning and agentic behaviors. As tasks grow more challenging, the logic structures embedded in natural language instructions becomes increasingly intricate. However, how well LLMs perform on such logic-rich instructions remains under-explored. We propose LogicIFGen and LogicIFEval. LogicIFGen is a scalable, automated framework for generating verifiable instructions from code functions, which can naturally express rich logic such as conditionals, nesting, recursion, and function calls. We further curate a collection of complex code functions and use LogicIFGen to construct LogicIFEval, a benchmark comprising 426 verifiable logic-rich instructions. Our experiments demonstrate that current state-of-the-art LLMs still struggle to correctly follow the instructions in LogicIFEval. Most LLMs can only follow fewer than 60% of the instructions, revealing significant deficiencies in the instruction-following ability. Code and Benchmark: https://github.com/mianzhang/LogicIF

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon

Chemistry and materials science are complex. Recently, there have been great successes in addressing this complexity using data-driven or computational techniques. Yet, the necessity of input structured in very specific forms and the fact that there is an ever-growing number of tools creates usability and accessibility challenges. Coupled with the reality that much data in these disciplines is unstructured, the effectiveness of these tools is limited. Motivated by recent works that indicated that large language models (LLMs) might help address some of these issues, we organized a hackathon event on the applications of LLMs in chemistry, materials science, and beyond. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines.