Zijie Dai

Zijie Dai, Shiyuan Deng, Sheng Guan et al.

Memory systems often organize user-agent interactions as retrievable external memory and are crucial for long-running agents by overcoming the limited context windows of LLMs. However, existing memory systems invoke LLMs to process every incoming interaction for memory extraction, and such an eager memory consolidation scheme leads to substantial token consumption. To tackle this problem, we propose RecMem by rethinking when memory consolidation should be conducted. RecMem stores incoming interactions in a subconscious memory layer and encode them using lightweight embedding models for retrieval. LLMs are only invoked to extract episodic and semantic memory when sustained recurrence are observed for semantically similar interactions. Such recurrence-based consolidation works because these interactions correspond to a semantic cluster with rich information and thus are worth extraction and summarization. To improve accuracy, RecMem also incorporates a semantic refinement mechanism that recovers the fine-grained facts omitted by memory extraction. Experiments show that RecMem reduces the memory construction token cost of three SOTA memory systems by up to 87% while exceeding their accuracy.

Weichen Dai, Yezeng Chen, Zijie Dai et al.

Recent advancements in large language models (LLMs) have demonstrated strong potential for enabling domain-specific intelligence. In this work, we present our vision for building an AI-powered chemical brain, which frames chemical intelligence around four core capabilities: information extraction, semantic parsing, knowledge-based QA, and reasoning & planning. We argue that domain knowledge and logic are essential pillars for enabling such a system to assist and accelerate scientific discovery. To initiate this effort, we introduce our first generation of large language models for chemistry: KALE-LM-Chem and KALE-LM-Chem-1.5, which have achieved outstanding performance in tasks related to the field of chemistry. We hope that our work serves as a strong starting point, helping to realize more intelligent AI and promoting the advancement of human science and technology, as well as societal development.

Weichen Dai, Zijie Dai, Zhijie Huang et al.

While current large language models (LLMs) demonstrate remarkable linguistic capabilities through training on massive unstructured text corpora, they remain inadequate in leveraging structured scientific data (e.g., chemical molecular properties in databases) that encapsulate centuries of accumulated scientific expertise. These structured datasets hold strategic significance for advancing AI for Science yet current approaches merely treat them as auxiliary supplements to unstructured text. This study pioneers a systematic investigation into enhancing LLMs with structured scientific data, using chemical molecular science as a testbed. We investigate the impact of incorporating molecular property data on LLM across distinct training phases, including continual pre-training, supervised fine-tuning, and reinforcement learning. Notably, to address the inherent limitation of numerical insensitivity in large models, we propose an innovative methodology termed "Reinforcement Learning with Database Feedback" (RLDBF). Experimental evaluations demonstrate the efficacy of the proposed approach, with the model exhibiting remarkable generalization capabilities on previously unseen data and other chemical tasks. The results substantiate the potential of our method in advancing the field of structured scientific data processing within LLMs.