Yue Yin

Jianfa Chen, Yue Yin, Yifan Xu · bytedance, gatech

In this paper we want to address the problem of automation for recognition of photographed cooking dishes and generating the corresponding food recipes. Current image-to-recipe models are computation expensive and require powerful GPUs for model training and implementation. High computational cost prevents those existing models from being deployed on portable devices, like smart phones. To solve this issue we introduce a lightweight image-to-recipe prediction model, RecipeSnap, that reduces memory cost and computational cost by more than 90% while still achieving 2.0 MedR, which is in line with the state-of-the-art model. A pre-trained recipe encoder was used to compute recipe embeddings. Recipes from Recipe1M dataset and corresponding recipe embeddings are collected as a recipe library, which are used for image encoder training and image query later. We use MobileNet-V2 as image encoder backbone, which makes our model suitable to portable devices. This model can be further developed into an application for smart phones with a few effort. A comparison of the performance between this lightweight model to other heavy models are presented in this paper. Code, data and models are publicly accessible on github.

Bangchen Yin, Yue Yin, Yuda W. Tang et al.

Machine learning force fields (MLFFs) have emerged as a promising approach to bridge the accuracy of quantum mechanical methods and the efficiency of classical force fields. However, the abundance of MLFF models and the challenge of accurately predicting atomic forces pose significant obstacles in their practical application. In this paper, we propose a novel ensemble learning framework, EL-MLFFs, which leverages the stacking method to integrate predictions from diverse MLFFs and enhance force prediction accuracy. By constructing a graph representation of molecular structures and employing a graph neural network (GNN) as the meta-model, EL-MLFFs effectively captures atomic interactions and refines force predictions. We evaluate our approach on two distinct datasets: methane molecules and methanol adsorbed on a Cu(100) surface. The results demonstrate that EL-MLFFs significantly improves force prediction accuracy compared to individual MLFFs, with the ensemble of all eight models yielding the best performance. Moreover, our ablation study highlights the crucial roles of the residual network and graph attention layers in the model's architecture. The EL-MLFFs framework offers a promising solution to the challenges of model selection and force prediction accuracy in MLFFs, paving the way for more reliable and efficient molecular simulations.