Yong Xu

Mingwei Liu, Juntao Li, Ying Wang et al.

Despite recent advances in Large Language Models (LLMs) for code generation, the quality of LLM-generated code still faces significant challenges. One significant issue is code repetition, which refers to the model's tendency to generate structurally redundant code, resulting in inefficiencies and reduced readability. To address this, we conduct the first empirical study to investigate the prevalence and nature of repetition across 19 state-of-the-art code LLMs using three widely-used benchmarks. Our study includes both quantitative and qualitative analyses, revealing that repetition is pervasive and manifests at various granularities and extents, including character, statement, and block levels. We further summarize a taxonomy of 20 repetition patterns. Building on our findings, we propose DeRep, a rule-based technique designed to detect and mitigate repetition in generated code. We evaluate DeRep using both open-source benchmarks and in an industrial setting. Our results demonstrate that DeRep significantly outperforms baselines in reducing repetition (with an average improvements of 91.3%, 93.5%, and 79.9% in rep-3, rep-line, and sim-line metrics) and enhancing code quality (with a Pass@1 increase of 208.3% over greedy search). Furthermore, integrating DeRep improves the performance of existing repetition mitigation methods, with Pass@1 improvements ranging from 53.7% to 215.7%.

Zun Wang, Chong Wang, Sibo Zhao et al.

Molecular dynamics is a powerful simulation tool to explore material properties. Most of the realistic material systems are too large to be simulated with first-principles molecular dynamics. Classical molecular dynamics has lower computational cost but requires accurate force fields to achieve chemical accuracy. In this work, we develop a symmetry-adapted graph neural networks framework, named molecular dynamics graph neural networks (MDGNN), to construct force fields automatically for molecular dynamics simulations for both molecules and crystals. This architecture consistently preserves the translation, rotation and permutation invariance in the simulations. We propose a new feature engineering method including higher order contributions and show that MDGNN accurately reproduces the results of both classical and first-principles molecular dynamics. We also demonstrate that force fields constructed by the model has good transferability. Therefore, MDGNN provides an efficient and promising option for molecular dynamics simulations of large scale systems with high accuracy.

Zhijun Hu, Yong Xu, Jie Wen et al.

Recently, deep learning has been widely used in the field of vehicle re-identification. When training a deep model, softmax loss is usually used as a supervision tool. However, the softmax loss performs well for closed-set tasks, but not very well for open-set tasks. In this paper, we sum up five shortcomings of center loss and solved all of them by proposing a dual distance center loss (DDCL). Especially we solve the shortcoming that center loss must combine with the softmax loss to supervise training the model, which provides us with a new perspective to examine the center loss. In addition, we verify the inconsistency between the proposed DDCL and softmax loss in the feature space, which makes the center loss no longer be limited by the softmax loss in the feature space after removing the softmax loss. To be specifically, we add the Pearson distance on the basis of the Euclidean distance to the same center, which makes all features of the same class be confined to the intersection of a hypersphere and a hypercube in the feature space. The proposed Pearson distance strengthens the intra-class compactness of the center loss and enhances the generalization ability of center loss. Moreover, by designing a Euclidean distance threshold between all center pairs, which not only strengthens the inter-class separability of center loss, but also makes the center loss (or DDCL) works well without the combination of softmax loss. We apply DDCL in the field of vehicle re-identification named VeRi-776 dataset and VehicleID dataset. And in order to verify its good generalization ability, we also verify it in two datasets commonly used in the field of person re-identification named MSMT17 dataset and Market1501 dataset.