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Reasoning models are large language models that emit a long chain-of-thought before answering, providing both higher accuracy and explicit reasoning for their response. A major question has been whether language model reasoning generalizes…

Large language models (LLMs) can be leveraged to help with writing formulas in spreadsheets, but resources on these formulas are scarce, impacting both the base performance of pre-trained models and limiting the ability to fine-tune them.…

The rapid advancement of Large Language Models (LLMs) in the realm of mathematical reasoning necessitates comprehensive evaluations to gauge progress and inspire future directions. Existing assessments predominantly focus on problem-solving…

The melting temperature is important for materials design because of its relationship with thermal stability, synthesis, and processing conditions. Current empirical and computational melting point estimation techniques are limited in…

In this retrospective study, a dataset was constructed with two parts. The first part included 1,656 synthetic chest radiology reports generated by GPT-4 using specified prompts, with 828 being error-free synthetic reports and 828…

Machine learning in materials science faces challenges due to limited experimental data, as generating synthesis data is costly and time-consuming, especially with in-house experiments. Mining data from existing literature introduces issues…

Large language models are a form of artificial intelligence systems whose primary knowledge consists of the statistical patterns, semantic relationships, and syntactical structures of language1. Despite their limited forms of "knowledge",…

Large Language Models (LLMs) have demonstrated remarkable multilingual capabilities, making them promising tools in both high- and low-resource languages. One particularly valuable use case is generating synthetic samples that can be used…

Large language models are increasingly applied to materials science, yet fundamental questions remain about their reliability and knowledge encoding. Evaluating 25 LLMs across four materials science tasks -- over 200 base and fine-tuned…

Inference-time computation is a powerful paradigm to enhance the performance of large language models (LLMs), with Best-of-N sampling being a widely used technique. However, this method is computationally expensive, requiring both (1) an…

Large language models (LLMs) often demonstrate inconsistencies with human preferences. Previous research typically gathered human preference data and then aligned the pre-trained models using reinforcement learning or instruction tuning,…

Retrosynthesis analysis is pivotal yet challenging in drug discovery and organic chemistry. Despite the proliferation of computational tools over the past decade, AI-based systems often fall short in generalizing across diverse reaction…

With multilingual machine translation (MMT) models continuing to grow in size and number of supported languages, it is natural to reuse and upgrade existing models to save computation as data becomes available in more languages. However,…

As language models accelerate scientific research by automating hypothesis generation and implementation, a new bottleneck emerges: evaluating and filtering hundreds of AI-generated ideas without exhaustive experimentation. We ask whether…

Large pretrained models such as GPT-3 have had tremendous impact on modern natural language processing by leveraging self-supervised learning to learn salient representations that can be used to readily finetune on a wide variety of…

Supervised fine-tuning (SFT) is a common method to enhance the tool calling capabilities of Large Language Models (LLMs), with the training data often being synthesized. The current data synthesis process generally involves sampling a set…

Logical reasoning remains a challenge for natural language processing, but it can be improved by training language models to mimic theorem provers on procedurally generated problems. Previous work used domain-specific proof generation…

Large language models (LLMs) such as ChatGPT, Gemini, LlaMa, and Claude are trained on massive quantities of text parsed from the internet and have shown a remarkable ability to respond to complex prompts in a manner often indistinguishable…

Polymers are candidate materials for a wide range of sustainability applications such as carbon capture and energy storage. However, computational polymer discovery lacks automated analysis of reaction pathways and stability assessment…

Large Language Models (LLMs) are known for their expensive and time-consuming training. Thus, oftentimes, LLMs are fine-tuned to address a specific task, given the pretrained weights of a pre-trained LLM considered a foundation model. In…