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Weizhi Gao

7 accepted papers

2026

Hierarchical Multi-Scale Molecular Conformer Generation with Structural Awareness

ICLR 2026poster

Molecular conformer generation is a fundamental task for drug discovery and material design. Although deep generative models have progressed in this area, existing methods often overlook the hierarchical structural organization inherent to molecules, leading to poor-quality generated conformers. To…

Cited by 0SourceScholar
2025

Modulated Diffusion: Accelerating Generative Modeling with Modulated Quantization

ICML 2025poster

Diffusion models have emerged as powerful generative models, but their high computation cost in iterative sampling remains a significant bottleneck. In this work, we present an in-depth and insightful study of state-of-the-art acceleration techniques for diffusion models, including caching and quant…

2024

Certified Robustness for Deep Equilibrium Models via Serialized Random Smoothing

NeurIPS 2024poster

Implicit models such as Deep Equilibrium Models (DEQs) have emerged as promising alternative approaches for building deep neural networks. Their certified robustness has gained increasing research attention due to security concerns. Existing certified defenses for DEQs employing interval bound propa…

2024

D^4: Dataset Distillation via Disentangled Diffusion Model

CVPR 2024poster

Dataset distillation offers a lightweight synthetic dataset for fast network training with promising test accuracy. To imitate the performance of the original dataset most approaches employ bi-level optimization and the distillation space relies on the matching architecture. Nevertheless these appro…

2024

ProTransformer: Robustify Transformers via Plug-and-Play Paradigm

NeurIPS 2024poster

Transformer-based architectures have dominated various areas of machine learning in recent years. In this paper, we introduce a novel robust attention mechanism designed to enhance the resilience of transformer-based architectures. Crucially, this technique can be integrated into existing transforme…

2023

Breaking through Deterministic Barriers: Randomized Pruning Mask Generation and Selection

EMNLP 2023long findings

It is widely acknowledged that large and sparse models have higher accuracy than small and dense models under the same model size constraints. This motivates us to train a large model and then remove its redundant neurons or weights by pruning. Most existing works pruned the networks in a determinis…

Cited by 0SourceScholar