Language Models (LMs) have demonstrated impressive molecule understanding ability on various 1D text-related tasks. However, they inherently lack 2D graph perception — a critical ability of human professionals in comprehending molecules’ topological structures. To bridge this gap, we propose MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter. MolCA enables an LM (i.e., Galactica) to understand both text- and graph-based molecular contents via the cross-modal projector. Specifically, the cross-modal projector is implemented as a Q-Former to connect a graph encoder’s representation space and an LM’s text space. Further, MolCA employs a uni-modal adapter (i.e., LoRA) for the LM’s efficient adaptation to downstream tasks. Unlike previous studies that couple an LM with a graph encoder via cross-modal contrastive learning, MolCA retains the LM’s ability of open-ended text generation and augments it with 2D graph information. To showcase its effectiveness, we extensively benchmark MolCA on tasks of molecule captioning, IUPAC name prediction, and molecule-text retrieval, on which MolCA significantly outperforms the baselines.

Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process. Conventional techniques, notably those employing Graph Neural Networks (GNNs), are often limited by insufficient training data and their inability to utilize textual information, undermining their applicability in real-world applications. In this work, we propose **ReLM**, a novel framework that leverages the chemical knowledge encoded in language models (LMs) to assist GNNs, thereby enhancing the accuracy of real-world chemical reaction predictions. To further enhance the model’s robustness and interpretability, we incorporate the confidence score strategy, enabling the LMs to self-assess the reliability of their predictions. Our experimental results demonstrate that ReLM improves the performance of state-of-the-art GNN-based methods across various chemical reaction datasets, especially in out-of-distribution settings. Codes are available at https://github.com/syr-cn/ReLM.

Large language models (LLMs) have demonstrated great potential for domain-specific applications, such as the law domain. However, recent disputes over GPT-4’s law evaluation raise questions concerning their performance in real-world legal tasks. To systematically investigate their competency in the law, we design practical baseline solutions based on LLMs and test on the task of legal judgment prediction. In our solutions, LLMs can work alone to answer open questions or coordinate with an information retrieval (IR) system to learn from similar cases or solve simplified multi-choice questions. We show that similar cases and multi-choice options, namely label candidates, included in prompts can help LLMs recall domain knowledge that is critical for expertise legal reasoning. We additionally present an intriguing paradox wherein an IR system surpasses the performance of LLM+IR due to limited gains acquired by weaker LLMs from powerful IR systems. In such case, the role of LLMs becomes redundant. Our evaluation pipeline can be easily extended into other tasks to facilitate evaluations in other domains. Code is available at https://github.com/srhthu/LM-CompEval-Legal