Recently, large language models have made remarkable progress in reasoning, largely driven by scaling data and model size. In parallel, several studies argue that for smaller models, high-quality distillation can yield strong reasoning performance with minimal resources. However, a framework for understanding machine reasoning that explains why low-resource distillation can boost model performance is still missing. In this paper, we conduct a controlled case study: using less than 920 examples, a simple distillation based on the base model can actually achieve notable reasoning performance improvement, compared with the base model and even the zero-RL models. By analyzing the token frequency in model outputs, we find that the distilled model shows more flexible reasoning. It uses anthropomorphic tokens and logical connectors much more often than the base and zero-RL model. Further analysis reveals that distillation enhances the presence of two advanced cognitive behaviors: Multi-Perspective Thinking or Attempting and Metacognitive Awareness. Frequent occurrences of these two advanced cognitive behaviors give rise to flexible reasoning, which is essential for solving reasoning problems.

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our novel contribution, InstructMol, a multi-modal LLM, effectively aligns molecular structures with natural language via an instruction-tuning approach, utilizing a two-stage training strategy that adeptly combines limited domain-specific data with molecular and textual information. InstructMol showcases substantial performance improvements in drug discovery-related molecular tasks, surpassing leading LLMs and significantly reducing the gap with specialists, thereby establishing a robust foundation for a versatile and dependable drug discovery assistant.

In text documents such as news articles, the content and key events usually revolve around a subset of all the entities mentioned in a document. These entities, often deemed as salient entities, provide useful cues of the aboutness of a document to a reader. Identifying the salience of entities was found helpful in several downstream applications such as search, ranking, and entity-centric summarization, among others. Prior work on salient entity detection mainly focused on machine learning models that require heavy feature engineering. We show that fine-tuning medium-sized language models with a cross-encoder style architecture yields substantial performance gains over feature engineering approaches. To this end, we conduct a comprehensive benchmarking of four publicly available datasets using models representative of the medium-sized pre-trained language model family. Additionally, we show that zero-shot prompting of instruction-tuned language models yields inferior results, indicating the task’s uniqueness and complexity.

Fact knowledge memorization is crucial for Large Language Models (LLM) to generate factual and reliable responses. However, the behaviors of LLM fact memorization remain under-explored. In this paper, we analyze the scaling laws for LLM’s fact knowledge and LLMs’ behaviors of memorizing different types of facts. We find that LLMs’ fact knowledge capacity has a linear and negative exponential law relationship with model size and training epochs, respectively. Estimated by the built scaling law, memorizing the whole Wikidata’s facts requires training an LLM with 1000B non-embed parameters for 100 epochs, suggesting that using LLMs to memorize all public facts is almost implausible for a general pre-training setting. Meanwhile, we find that LLMs can generalize on unseen fact knowledge and its scaling law is similar to general pre-training. Additionally, we analyze the compatibility and preference of LLMs’ fact memorization. For compatibility, we find LLMs struggle with memorizing redundant facts in a unified way. Only when correlated facts have the same direction and structure, the LLM can compatibly memorize them. This shows the inefficiency of LLM memorization for redundant facts. For preference, the LLM pays more attention to memorizing more frequent and difficult facts, and the subsequent facts can overwrite prior facts’ memorization, which significantly hinders low-frequency facts memorization. Our findings reveal the capacity and characteristics of LLMs’ fact knowledge learning, which provide directions for LLMs’ fact knowledge augmentation.

Large language models are playing an increasingly significant role in molecular research, yet existing models often generate erroneous information. Traditional evaluations fail to assess a model’s factual correctness. To rectify this absence, we present MoleculeQA, a novel question answering (QA) dataset which possesses 62K QA pairs over 23K molecules. Each QA pair, composed of a manual question, a positive option and three negative options, has consistent semantics with a molecular description from authoritative corpus. MoleculeQA is not only the first benchmark to evaluate molecular factual correctness but also the largest molecular QA dataset. A comprehensive evaluation on MoleculeQA for existing molecular LLMs exposes their deficiencies in specific aspects and pinpoints crucial factors for molecular modeling. Furthermore, we employ MoleculeQA in reinforcement learning to mitigate model hallucinations, thereby enhancing the factual correctness of generated information.