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Shichang Zhang

10 accepted papers

2026

Position: Explainability Research Must Prioritize Foundations over Ad-hoc Methods

ICML 2026poster

Despite the proliferation of Explainable AI (XAI) techniques—from feature attributions to sparse autoencoders—explanations rarely influence real-world workflows. In practice, they are often generated and discarded without guiding meaningful action. This gap reflects foundational shortcomings: resear…

Cited by 0SourceScholar
2026

Who Gets Credit or Blame? Attributing Accountability in Modern AI Systems

ICML 2026poster

Modern AI systems are typically developed through multiple stages-pretraining, fine-tuning rounds, and subsequent adaptation or alignment, where each stage builds on the previous ones and updates the model in distinct ways. This raises a critical question of accountability: when a deployed model suc…

Cited by 0SourceScholar
2025

Automated Molecular Concept Generation and Labeling with Large Language Models

COLING 2025main

Artificial intelligence (AI) is transforming scientific research, with explainable AI methods like concept-based models (CMs) showing promise for new discoveries. However, in molecular science, CMs are less common than black-box models like Graph Neural Networks (GNNs), due to their need for predefi…

2024

FUSE: Measure-Theoretic Compact Fuzzy Set Representation for Taxonomy Expansion

ACL 2024findings

Taxonomy Expansion, which relies on modeling concepts and concept relations, can be formulated as a set representation learning task. The generalization of set, fuzzy set, incorporates uncertainty and measures the information within a semantic concept, making it suitable for concept modeling. Existi…

Cited by 4SourcePDFScholar
2024

Predicting and Interpreting Energy Barriers of Metallic Glasses with Graph Neural Networks

ICML 2024poster

Metallic Glasses (MGs) are widely used materials that are stronger than steel while being shapeable as plastic. While understanding the structure-property relationship of MGs remains a challenge in materials science, studying their energy barriers (EBs) as an intermediary step shows promise. In this…

2024

SciBench: Evaluating College-Level Scientific Problem-Solving Abilities of Large Language Models

ICML 2024poster

Most existing Large Language Model (LLM) benchmarks on scientific problem reasoning focus on problems grounded in high-school subjects and are confined to elementary algebraic operations. To systematically examine the reasoning capabilities required for solving complex scientific problems, we introd…

2023

Linkless Link Prediction via Relational Distillation

ICML 2023poster

Graph Neural Networks (GNNs) have shown exceptional performance in the task of link prediction. Despite their effectiveness, the high latency brought by non-trivial neighborhood data dependency limits GNNs in practical deployments. Conversely, the known efficient MLPs are much less effective than GN…

Cited by 64SourcePDFScholar
2022

GStarX: Explaining Graph Neural Networks with Structure-Aware Cooperative Games

NeurIPS 2022accept

Explaining machine learning models is an important and increasingly popular area of research interest. The Shapley value from game theory has been proposed as a prime approach to compute feature importance towards model predictions on images, text, tabular data, and recently graph neural networks (G…

2022

Graph Condensation for Graph Neural Networks

ICLR 2022poster

Given the prevalence of large-scale graphs in real-world applications, the storage and time for training neural models have raised increasing concerns. To alleviate the concerns, we propose and study the problem of graph condensation for graph neural networks (GNNs). Specifically, we aim to condens…

2022

Graph-less Neural Networks: Teaching Old MLPs New Tricks Via Distillation

ICLR 2022poster

Graph Neural Networks (GNNs) are popular for graph machine learning and have shown great results on wide node classification tasks. Yet, they are less popular for practical deployments in the industry owing to their scalability challenges incurred by data dependency. Namely, GNN inference depends on…