Chun Chen

Tongya Zheng, Tianli Zhang, Qingzheng Guan et al.

Graph Neural Networks have emerged as an effective machine learning tool for multi-disciplinary tasks such as pharmaceutical molecule classification and chemical reaction prediction, because they can model non-euclidean relationships between different entities. Particle crushing, as a significant field of civil engineering, describes the breakage of granular materials caused by the breakage of particle fragment bonds under the modeling of numerical simulations, which motivates us to characterize the mechanical behaviors of particle crushing through the connectivity of particle fragments with Graph Neural Networks (GNNs). However, there lacks an open-source large-scale particle crushing dataset for research due to the expensive costs of laboratory tests or numerical simulations. Therefore, we firstly generate a dataset with 45,000 numerical simulations and 900 particle types to facilitate the research progress of machine learning for particle crushing. Secondly, we devise a hybrid framework based on GNNs to predict particle crushing strength in a particle fragment view with the advances of state of the art GNNs. Finally, we compare our hybrid framework against traditional machine learning methods and the plain MLP to verify its effectiveness. The usefulness of different features is further discussed through the gradient attribution explanation w.r.t the predictions. Our data and code are released at https://github.com/doujiang-zheng/GNN-For-Particle-Crushing.

Shengjia Zhang, Jiawei Chen, Changdong Li et al.

Loss functions play a pivotal role in optimizing recommendation models. Among various loss functions, Softmax Loss (SL) and Cosine Contrastive Loss (CCL) are particularly effective. Their theoretical connections and differences warrant in-depth exploration. This work conducts comprehensive analyses of these losses, yielding significant insights: 1) Common strengths -- both can be viewed as augmentations of traditional losses with Distributional Robust Optimization (DRO), enhancing robustness to distributional shifts; 2) Respective limitations -- stemming from their use of different distribution distance metrics in DRO optimization, SL exhibits high sensitivity to false negative instances, whereas CCL suffers from low data utilization. To address these limitations, this work proposes a new loss function, DrRL, which generalizes SL and CCL by leveraging Rényi-divergence in DRO optimization. DrRL incorporates the advantageous structures of both SL and CCL, and can be demonstrated to effectively mitigate their limitations. Extensive experiments have been conducted to validate the superiority of DrRL on both recommendation accuracy and robustness.