Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections, making them ineffectively processed by current Graph Neural Networks (GNNs). To address this issue, researchers proposed a variety of geometric GNNs equipped with invariant/equivariant properties to better characterize the geometry and topology of geometric graphs. Given the current progress in this field, it is imperative to conduct a comprehensive survey of data structures, models, and applications related to geometric GNNs. In this paper, based on the necessary but concise mathematical preliminaries, we formalize geometric graph as the data structure, on top of which we provide a unified view of existing models from the geometric message passing perspective. Additionally, we summarize the applications as well as the related datasets to facilitate later research for methodology development and experimental evaluation. We also discuss the challenges and future potential directions of geometric GNNs at the end of this survey.

Although sequence-to-sequence attentional neural machine translation (NMT) has achieved great progress recently, it is confronted with two challenges: learning optimal model parameters for long parallel sentences and well exploiting different scopes of contexts. In this paper, partially inspired by the idea of segmenting a long sentence into short clauses, each of which can be easily translated by NMT, we propose a hierarchy-to-sequence attentional NMT model to handle these two challenges. Our encoder takes the segmented clause sequence as input and explores a hierarchical neural network structure to model words, clauses and sentences at different levels, particularly with two layers of recurrent neural networks modeling semantic compositionality at the word and clause level. Correspondingly, the decoder sequentially translates segmented clauses and simultaneously applies two types of attention models to capture contexts of inter-clause and intra-clause for translation prediction. In this way, we can not only improve parameter learning, but also well explore different scopes of contexts for translation. Experimental results on Chinese-English and English-German translation demonstrate the superiorities of the proposed model over the conventional NMT model.

Kanzhi Cheng, Li YanTao, Fangzhi Xu, Jianbing Zhang, Hao Zhou, Yang Liu. Proceedings of the 2025 Conference of the Nations of the Americas Chapter of the Association for Computational Linguistics: Human Language Technologies (Volume 1: Long Papers). 2025.

Weitao Li, Junkai Li, Weizhi Ma, Yang Liu. Proceedings of the 62nd Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2024.

Pretraining molecular representation models without labels is fundamental to various applications. Conventional methods mainly process 2D molecular graphs and focus solely on 2D tasks, making their pretrained models incapable of characterizing 3D geometry and thus defective for downstream 3D tasks. In this work, we tackle 3D molecular pretraining in a complete and novel sense. In particular, we first propose to adopt an equivariant energy-based model as the backbone for pretraining, which enjoys the merits of fulfilling the symmetry of 3D space. Then we develop a node-level pretraining loss for force prediction, where we further exploit the Riemann-Gaussian distribution to ensure the loss to be E(3)-invariant, enabling more robustness. Moreover, a graph-level noise scale prediction task is also leveraged to further promote the eventual performance. We evaluate our model pretrained from a large-scale 3D dataset GEOM-QM9 on two challenging 3D benchmarks: MD17 and QM9. Experimental results demonstrate the efficacy of our method against current state-of-the-art pretraining approaches, and verify the validity of our design for each proposed component. Code is available at https://github.com/jiaor17/3D-EMGP.

Conversational search allows a user to interact with a search system in multiple turns. A query is strongly dependent on the conversation context. An effective way to improve retrieval effectiveness is to expand the current query with historical queries. However, not all the previous queries are related to, and useful for expanding the current query. In this paper, we propose a new method to select relevant historical queries that are useful for the current query. To cope with the lack of labeled training data, we use a pseudo-labeling approach to annotate useful historical queries based on their impact on the retrieval results. The pseudo-labeled data are used to train a selection model. We further propose a multi-task learning framework to jointly train the selector and the retriever during fine-tuning, allowing us to mitigate the possible inconsistency between the pseudo labels and the changed retriever. Extensive experiments on four conversational search datasets demonstrate the effectiveness and broad applicability of our method compared with several strong baselines.