Haolin Ye

Chuqin Geng, Haolin Ye, Yixuan Li et al.

Strong static type systems help programmers eliminate many errors without much burden of supplying type annotations. However, this flexibility makes it highly non-trivial to diagnose ill-typed programs, especially for novice programmers. Compared to classic constraint solving and optimization-based approaches, the data-driven approach has shown great promise in identifying the root causes of type errors with higher accuracy. Instead of relying on hand-engineered features, this work explores natural language models for type error localization, which can be trained in an end-to-end fashion without requiring any features. We demonstrate that, for novice type error diagnosis, the language model-based approach significantly outperforms the previous state-of-the-art data-driven approach. Specifically, our model could predict type errors correctly 62% of the time, outperforming the state-of-the-art Nate's data-driven model by 11%, in a more rigorous accuracy metric. Furthermore, we also apply structural probes to explain the performance difference between different language models.

Chuqin Geng, Xiaojie Xu, Haolin Ye et al.

Just like weights, bias terms are the learnable parameters of many popular machine learning models, including neural networks. Biases are thought to enhance the representational power of neural networks, enabling them to solve a variety of tasks in computer vision. However, we argue that biases can be disregarded for some image-related tasks such as image classification, by considering the intrinsic distribution of images in the input space and desired model properties from first principles. Our findings suggest that zero-bias neural networks can perform comparably to biased networks for practical image classification tasks. We demonstrate that zero-bias neural networks possess a valuable property called scalar (multiplication) invariance. This means that the prediction of the network remains unchanged when the contrast of the input image is altered. We extend scalar invariance to more general cases, enabling formal verification of certain convex regions of the input space. Additionally, we prove that zero-bias neural networks are fair in predicting the zero image. Unlike state-of-the-art models that may exhibit bias toward certain labels, zero-bias networks have uniform belief in all labels. We believe dropping bias terms can be considered as a geometric prior in designing neural network architecture for image classification, which shares the spirit of adapting convolutions as the transnational invariance prior. The robustness and fairness advantages of zero-bias neural networks may also indicate a promising path towards trustworthy and ethical AI.

Chuqin Geng, Li Zhang, Mark Zhang et al.

We challenge black-box purely deep neural approaches for molecules and graph generation, which are limited in controllability and lack formal guarantees. We introduce Neuro-Symbolic Graph Generative Modeling (NSGGM), a neurosymbolic framework that reapproaches molecule generation as a scaffold and interaction learning task with symbolic assembly. An autoregressive neural model proposes scaffolds and refines interaction signals, and a CPU-efficient SMT solver constructs full graphs while enforcing chemical validity, structural rules, and user-specific constraints, yielding molecules that are correct by construction and interpretable control that pure neural methods cannot provide. NSGGM delivers strong performance on both unconstrained generation and constrained generation tasks, demonstrating that neuro-symbolic modeling can match state-of-the-art generative performance while offering explicit controllability and guarantees. To evaluate more nuanced controllability, we also introduce a Logical-Constraint Molecular Benchmark, designed to test strict hard-rule satisfaction in workflows that require explicit, interpretable specifications together with verifiable compliance.

Chuqin Geng, Li Zhang, Haolin Ye et al.

Graph Neural Networks (GNNs) have become essential in high-stakes domains such as drug discovery, yet their black-box nature remains a significant barrier to trustworthiness. While self-explainable GNNs attempt to bridge this gap, they often rely on standard message-passing backbones that inherit fundamental limitations, including the 1-Weisfeiler-Lehman (1-WL) expressivity barrier and a lack of fine-grained interpretability. To address these challenges, we propose SymGraph, a symbolic framework designed to transcend these constraints. By replacing continuous message passing with discrete structural hashing and topological role-based aggregation, our architecture theoretically surpasses the 1-WL barrier, achieving superior expressiveness without the overhead of differentiable optimization. Extensive empirical evaluations demonstrate that SymGraph achieves state-of-the-art performance, outperforming existing self-explainable GNNs. Notably, SymGraph delivers 10x to 100x speedups in training time using only CPU execution. Furthermore, SymGraph generates rules with superior semantic granularity compared to existing rule-based methods, offering great potential for scientific discovery and explainable AI.

Chuqin Geng, Yuhe Jiang, Ziyu Zhao et al.

We propose a general framework called VisionLogic to extract interpretable logic rules from deep vision models, with a focus on image classification tasks. Given any deep vision model that uses a fully connected layer as the output head, VisionLogic transforms neurons in the last layer into predicates and grounds them into vision concepts using causal validation. In this way, VisionLogic can provide local explanations for single images and global explanations for specific classes in the form of logic rules. Compared to existing interpretable visualization tools such as saliency maps, VisionLogic addresses several key challenges, including the lack of causal explanations, overconfidence in visualizations, and ambiguity in interpretation. VisionLogic also facilitates the study of visual concepts encoded by predicates, particularly how they behave under perturbation -- an area that remains underexplored in the field of hidden semantics. Apart from providing better visual explanations and insights into the visual concepts learned by the model, we show that VisionLogic retains most of the neural network's discriminative power in an interpretable and transparent manner. We envision it as a bridge between complex model behavior and human-understandable explanations, providing trustworthy and actionable insights for real-world applications.

Chuqin Geng, Ziyu Zhao, Zhaoyue Wang et al.

Graph neural networks (GNNs) operate over both input feature spaces and combinatorial graph structures, making it challenging to understand the rationale behind their predictions. As GNNs gain widespread popularity and demonstrate success across various domains, such as drug discovery, studying their interpretability has become a critical task. To address this, many explainability methods have been proposed, with recent efforts shifting from instance-specific explanations to global concept-based explainability. However, these approaches face several limitations, such as relying on predefined concepts and explaining only a limited set of patterns. To address this, we propose a novel framework, LOGICXGNN, for extracting interpretable logic rules from GNNs. LOGICXGNN is model-agnostic, efficient, and data-driven, eliminating the need for predefined concepts. More importantly, it can serve as a rule-based classifier and even outperform the original neural models. Its interpretability facilitates knowledge discovery, as demonstrated by its ability to extract detailed and accurate chemistry knowledge that is often overlooked by existing methods. Another key advantage of LOGICXGNN is its ability to generate new graph instances in a controlled and transparent manner, offering significant potential for applications such as drug design. We empirically demonstrate these merits through experiments on real-world datasets such as MUTAG and BBBP.

Chuqin Geng, Zhaoyue Wang, Haolin Ye et al.

Formal verification is only as good as the specification of a system, which is also true for neural network verification. Existing specifications follow the paradigm of data as specification, where the local neighborhood around a reference data point is considered correct or robust. While these specifications provide a fair testbed for assessing model robustness, they are too restrictive for verifying any unseen test data points, a challenging task with significant real-world implications. Recent work shows great promise through a new paradigm, neural representation as specification, which uses neural activation patterns (NAPs) for this purpose. However, it computes the most refined NAPs, which include many redundant neurons. In this paper, we study the following problem: Given a neural network, find a minimal (general) NAP specification that is sufficient for formal verification of its robustness properties. Finding the minimal NAP specification not only expands verifiable bounds but also provides insights into which set of neurons contributes to the model's robustness. To address this problem, we propose three approaches: conservative, statistical, and optimistic. Each of these methods offers distinct strengths and trade-offs in terms of minimality and computational speed, making them suitable for scenarios with different priorities. Notably, the optimistic approach can probe potential causal links between neurons and the robustness of large vision neural networks without relying on verification tools, a task existing methods struggle to scale. Our experiments show that minimal NAP specifications use far fewer neurons than those from previous work while expanding verifiable boundaries by several orders of magnitude.