This paper proposes UniEdit, a Unified Graph-based Mixture-of-Experts (MoE) Molecular Editing model that offers a robust alternative to LLMs and incorporates a Mixture-of-Experts architecture that dynamically routes tasks to specialized components.
Jiajun Yu, Zhihao Wu, Yizhen Zheng et al.· Proceedings of the 32nd ACM...· 0 citations
This paper introduces Caduceus, a family of MoE-enhanced foundation models built with a hierarchical pre-training paradigm to jointly integrate biological and natural language, and incorporates a multi-task instruction tuning phase, enabling robust protein parsing and natural language question answering.
Mingze Yin, Yiheng Zhu, Jialu Wu et al.· Proceedings of the 32nd ACM...· 0 citations
Transformer models have revolutionized natural language processing (NLP), and text-based molecular representations like SMILES have successfully extended these architectures to chemistry. However, domain-adaptive pre-training often causes models to overfit to chemical syntax, catastrophically forgetting their foundatio...
David Ming Segura, Jeremy Goumaz, Joshua W. Sin et al.· 1 citation
MolLingua, a token-centric, dual-modal framework designed for native molecular understanding, uses a dual-branch Residual Vector Quantization engine to discretize heterogeneous, high-dimensional spatial 2D and 3D features into compact code sequences rather than relying solely on continuous projections.
Haoyang Liu, Xikang Feng, Fei Guo et al.· IEEE journal of biomedical a...· 0 citations
HME is presented, a framework that combines multiple views of molecules to improve molecular understanding and design and enables bidirectional navigation of the chemical-linguistic space, achieving consistent improvements across molecular comprehension and design tasks over strong baselines.
Liuzhenghao Lv, Hao Li, Yu Wang et al.· Nature Communications· 0 citations
The factors underlying performance differences across matcher architectures are clarified and motivate future research and benchmark designs that better disentangle architectural choices from model-level factors while explicitly evaluating distribution shift and cross-dataset transferability.