FCDS: Fusing Constituency and Dependency Syntax into Document-Level Relation Extraction

Document-level Relation Extraction (DocRE) aims to identify relation labels between entities within a single document. It requires handling several sentences and reasoning over them. State-of-the-art DocRE methods use a graph structure to connect entities across the document to capture dependency syntax information. However, this is insufficient to fully exploit the rich syntax information in the document. In this work, we propose to fuse constituency and dependency syntax into DocRE. It uses constituency syntax to aggregate the whole sentence information and select the instructive sentences for the pairs of targets. It exploits the dependency syntax in a graph structure with constituency syntax enhancement and chooses the path between entity pairs based on the dependency graph. The experimental results on datasets from various domains demonstrate the effectiveness of the proposed method. The code is publicly available at this url.

Harmonizing Covariance and Expressiveness for Deep Hamiltonian Regression in Crystalline Material Research: a Hybrid Cascaded Regression Framework

Deep learning for Hamiltonian regression of quantum systems in material research necessitates satisfying the covariance laws, among which achieving SO(3)-equivariance without sacrificing the expressiveness capability of networks remains an elusive challenge due to the restriction to non-linear mappings on guaranteeing theoretical equivariance. To alleviate the covariance-expressiveness dilemma, we propose a hybrid framework with two cascaded regression stages. The first stage, i.e., a theoretically-guaranteed covariant neural network modeling symmetry properties of 3D atom systems, predicts baseline Hamiltonians with theoretically covariant features extracted, assisting the second stage in learning covariance. Meanwhile, the second stage, powered by a non-linear 3D graph Transformer network we propose for structural modeling of atomic systems, refines the first stage's output as a fine-grained prediction of Hamiltonians with better expressiveness capability. The combination of a theoretically covariant yet inevitably less expressive model with a highly expressive non-linear network enables precise, generalizable predictions while maintaining robust covariance under coordinate transformations. Our method achieves state-of-the-art performance in Hamiltonian prediction for electronic structure calculations, confirmed through experiments on six crystalline material databases. The codes and configuration scripts are available in the supplementary material.