Yang Wu

Yang Wu, Yao Wan, Hongyu Zhang et al.

The Natural Language to Visualization (NL2Vis) task aims to transform natural-language descriptions into visual representations for a grounded table, enabling users to gain insights from vast amounts of data. Recently, many deep learning-based approaches have been developed for NL2Vis. Despite the considerable efforts made by these approaches, challenges persist in visualizing data sourced from unseen databases or spanning multiple tables. Taking inspiration from the remarkable generation capabilities of Large Language Models (LLMs), this paper conducts an empirical study to evaluate their potential in generating visualizations, and explore the effectiveness of in-context learning prompts for enhancing this task. In particular, we first explore the ways of transforming structured tabular data into sequential text prompts, as to feed them into LLMs and analyze which table content contributes most to the NL2Vis. Our findings suggest that transforming structured tabular data into programs is effective, and it is essential to consider the table schema when formulating prompts. Furthermore, we evaluate two types of LLMs: finetuned models (e.g., T5-Small) and inference-only models (e.g., GPT-3.5), against state-of-the-art methods, using the NL2Vis benchmarks (i.e., nvBench). The experimental results reveal that LLMs outperform baselines, with inference-only models consistently exhibiting performance improvements, at times even surpassing fine-tuned models when provided with certain few-shot demonstrations through in-context learning. Finally, we analyze when the LLMs fail in NL2Vis, and propose to iteratively update the results using strategies such as chain-of-thought, role-playing, and code-interpreter. The experimental results confirm the efficacy of iterative updates and hold great potential for future study.

Zhaoyang Chu, Yao Wan, Qian Li et al.

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.

Peijin Guo, Minghui Li, Hewen Pan et al.

Accurate prediction of molecular metabolic stability (MS) is critical for drug research and development but remains challenging due to the complex interplay of molecular interactions. Despite recent advances in graph neural networks (GNNs) for MS prediction, current approaches face two critical limitations: (1) incomplete molecular modeling due to atom-centric message-passing mechanisms that disregard bond-level topological features, and (2) prediction frameworks that lack reliable uncertainty quantification. To address these challenges, we propose TrustworthyMS, a novel contrastive learning framework designed for uncertainty-aware metabolic stability prediction. First, a molecular graph topology remapping mechanism synchronizes atom-bond interactions through edge-induced feature propagation, capturing both localized electronic effects and global conformational constraints. Second, contrastive topology-bond alignment enforces consistency between molecular topology views and bond patterns via feature alignment, enhancing representation robustness. Third, uncertainty modeling through Beta-Binomial uncertainty quantification enables simultaneous prediction and confidence calibration under epistemic uncertainty. Through extensive experiments, our results demonstrate that TrustworthyMS outperforms current state-of-the-art methods in terms of predictive performance.