Reasoning Abilities of Large Language Models: In-Depth Analysis on the Abstraction and Reasoning Corpus

The existing methods for evaluating the inference abilities of Large Language Models (LLMs) have been results-centric, making it difficult to assess the inference process. We introduce a new approach using the Abstract and Reasoning Corpus (ARC) dataset to evaluate the inference and contextual understanding abilities of large language models in a process-centric manner. ARC demands rigorous logical structures for problem-solving, making it a benchmark that facilitates the comparison of model inference abilities with humans. Experimental results confirm that while large language models possess weak inference abilities, they still lag in terms of logical coherence, compositionality, and productivity. Our experiments highlight the reasoning capabilities of LLMs, proposing development paths for achieving human-level reasoning.

Mass Spectra Prediction with Structural Motif-based Graph Neural Networks

Mass spectra, which are agglomerations of ionized fragments from targeted molecules, play a crucial role across various fields for the identification of molecular structures. A prevalent analysis method involves spectral library searches,where unknown spectra are cross-referenced with a database. The effectiveness of such search-based approaches, however, is restricted by the scope of the existing mass spectra database, underscoring the need to expand the database via mass spectra prediction. In this research, we propose the Motif-based Mass Spectrum Prediction Network (MoMS-Net), a system that predicts mass spectra using the information derived from structural motifs and the implementation of Graph Neural Networks (GNNs). We have tested our model across diverse mass spectra and have observed its superiority over other existing models. MoMS-Net considers substructure at the graph level, which facilitates the incorporation of long-range dependencies while using less memory compared to the graph transformer model.