How to Select Pre-Trained Code Models for Reuse? A Learning Perspective

Pre-training a language model and then fine-tuning it has shown to be an efficient and effective technique for a wide range of code intelligence tasks, such as code generation, code summarization, and vulnerability detection. However, pretraining language models on a large-scale code corpus is computationally expensive. Fortunately, many off-the-shelf Pre-trained Code Models (PCMs), such as CodeBERT, CodeT5, CodeGen, and Code Llama, have been released publicly. These models acquire general code understanding and generation capability during pretraining, which enhances their performance on downstream code intelligence tasks. With an increasing number of these public pre-trained models, selecting the most suitable one to reuse for a specific task is essential. In this paper, we systematically investigate the reusability of PCMs. We first explore three intuitive model selection methods that select by size, training data, or brute-force fine-tuning. Experimental results show that these straightforward techniques either perform poorly or suffer high costs. Motivated by these findings, we explore learning-based model selection strategies that utilize pre-trained models without altering their parameters. Specifically, we train proxy models to gauge the performance of pre-trained models, and measure the distribution deviation between a model's latent features and the task's labels, using their closeness as an indicator of model transferability. We conduct experiments on 100 widely-used opensource PCMs for code intelligence tasks, with sizes ranging from 42.5 million to 3 billion parameters. The results demonstrate that learning-based selection methods reduce selection time to 100 seconds, compared to 2,700 hours with brute-force fine-tuning, with less than 6% performance degradation across related tasks.

Graph Neural Networks for Vulnerability Detection: A Counterfactual Explanation

Vulnerability detection is crucial for ensuring the security and reliability of software systems. Recently, Graph Neural Networks (GNNs) have emerged as a prominent code embedding approach for vulnerability detection, owing to their ability to capture the underlying semantic structure of source code. However, GNNs face significant challenges in explainability due to their inherently black-box nature. To this end, several factual reasoning-based explainers have been proposed. These explainers provide explanations for the predictions made by GNNs by analyzing the key features that contribute to the outcomes. We argue that these factual reasoning-based explanations cannot answer critical what-if questions: What would happen to the GNN's decision if we were to alter the code graph into alternative structures? Inspired by advancements of counterfactual reasoning in artificial intelligence, we propose CFExplainer, a novel counterfactual explainer for GNN-based vulnerability detection. Unlike factual reasoning-based explainers, CFExplainer seeks the minimal perturbation to the input code graph that leads to a change in the prediction, thereby addressing the what-if questions for vulnerability detection. We term this perturbation a counterfactual explanation, which can pinpoint the root causes of the detected vulnerability and furnish valuable insights for developers to undertake appropriate actions for fixing the vulnerability. Extensive experiments on four GNN-based vulnerability detection models demonstrate the effectiveness of CFExplainer over existing state-of-the-art factual reasoning-based explainers.

Hierarchical Graph Representation Learning for the Prediction of Drug-Target Binding Affinity

The identification of drug-target binding affinity (DTA) has attracted increasing attention in the drug discovery process due to the more specific interpretation than binary interaction prediction. Recently, numerous deep learning-based computational methods have been proposed to predict the binding affinities between drugs and targets benefiting from their satisfactory performance. However, the previous works mainly focus on encoding biological features and chemical structures of drugs and targets, with a lack of exploiting the essential topological information from the drug-target affinity network. In this paper, we propose a novel hierarchical graph representation learning model for the drug-target binding affinity prediction, namely HGRL-DTA. The main contribution of our model is to establish a hierarchical graph learning architecture to incorporate the intrinsic properties of drug/target molecules and the topological affinities of drug-target pairs. In this architecture, we adopt a message broadcasting mechanism to integrate the hierarchical representations learned from the global-level affinity graph and the local-level molecular graph. Besides, we design a similarity-based embedding map to solve the cold start problem of inferring representations for unseen drugs and targets. Comprehensive experimental results under different scenarios indicate that HGRL-DTA significantly outperforms the state-of-the-art models and shows better model generalization among all the scenarios.