Chenbin Zhang

Chenbin Zhang, Zhiqiang Hu, Chuchu Jiang et al.

Drug-target binding affinity prediction is a fundamental task for drug discovery. It has been extensively explored in literature and promising results are reported. However, in this paper, we demonstrate that the results may be misleading and cannot be well generalized to real practice. The core observation is that the canonical randomized split of a test set in conventional evaluation leaves the test set dominated by samples with high similarity to the training set. The performance of models is severely degraded on samples with lower similarity to the training set but the drawback is highly overlooked in current evaluation. As a result, the performance can hardly be trusted when the model meets low-similarity samples in real practice. To address this problem, we propose a framework of similarity aware evaluation in which a novel split methodology is proposed to adapt to any desired distribution. This is achieved by a formulation of optimization problems which are approximately and efficiently solved by gradient descent. We perform extensive experiments across five representative methods in four datasets for two typical target evaluations and compare them with various counterpart methods. Results demonstrate that the proposed split methodology can significantly better fit desired distributions and guide the development of models. Code is released at https://github.com/Amshoreline/SAE/tree/main.

Kun Yan, Chenbin Zhang, Jun Hou et al.

Multi-label few-shot image classification (ML-FSIC) is the task of assigning descriptive labels to previously unseen images, based on a small number of training examples. A key feature of the multi-label setting is that images often have multiple labels, which typically refer to different regions of the image. When estimating prototypes, in a metric-based setting, it is thus important to determine which regions are relevant for which labels, but the limited amount of training data makes this highly challenging. As a solution, in this paper we propose to use word embeddings as a form of prior knowledge about the meaning of the labels. In particular, visual prototypes are obtained by aggregating the local feature maps of the support images, using an attention mechanism that relies on the label embeddings. As an important advantage, our model can infer prototypes for unseen labels without the need for fine-tuning any model parameters, which demonstrates its strong generalization abilities. Experiments on COCO and PASCAL VOC furthermore show that our model substantially improves the current state-of-the-art.