activity
20202026
most citedGraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation

210 citations · 727 across the 35 of their papers we have counts for

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Showing 2024Show all

8 papers · 1 filter

cs.LG2024★ 3 cited

The Heterophilic Graph Learning Handbook: Benchmarks, Models, Theoretical Analysis, Applications and Challenges

Sitao Luan, Chenqing Hua, Qincheng Lu +11

Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to be the main reason for the superiority of…

cs.CV2024★ 2 cited

Consistency Flow Matching: Defining Straight Flows with Velocity Consistency

Ling Yang, Zixiang Zhang, Zhilong Zhang +6

Flow matching (FM) is a general framework for defining probability paths via Ordinary Differential Equations (ODEs) to transform between noise and data samples. Recent approaches a…

q-bio.BM2024★ 4 cited

Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization

Siyi Gu, Minkai Xu, Alexander Powers +6

Generating ligand molecules for specific protein targets, known as structure-based drug design, is a fundamental problem in therapeutics development and biological discovery. Recen…

cs.CL2024★ 8 cited

Buffer of Thoughts: Thought-Augmented Reasoning with Large Language Models

Ling Yang, Zhaochen Yu, Tianjun Zhang +5

We introduce Buffer of Thoughts (BoT), a novel and versatile thought-augmented reasoning approach for enhancing accuracy, efficiency and robustness of large language models (LLMs).…

cs.CV2024★ 1 cited

Contextualized Diffusion Models for Text-Guided Image and Video Generation

Ling Yang, Zhilong Zhang, Zhaochen Yu +4

Conditional diffusion models have exhibited superior performance in high-fidelity text-guided visual generation and editing. Nevertheless, prevailing text-guided visual diffusion m…

cs.CV2024★ 2 cited

RealCompo: Balancing Realism and Compositionality Improves Text-to-Image Diffusion Models

Xinchen Zhang, Ling Yang, Yaqi Cai +8

Diffusion models have achieved remarkable advancements in text-to-image generation. However, existing models still have many difficulties when faced with multiple-object compositio…

cs.CV2024★ 4 cited

Mastering Text-to-Image Diffusion: Recaptioning, Planning, and Generating with Multimodal LLMs

Ling Yang, Zhaochen Yu, Chenlin Meng +3

Diffusion models have exhibit exceptional performance in text-to-image generation and editing. However, existing methods often face challenges when handling complex text prompts th…

cs.LG2024★ 3 cited

Equivariant Graph Neural Operator for Modeling 3D Dynamics

Minkai Xu, Jiaqi Han, Aaron Lou +6

Modeling the complex three-dimensional (3D) dynamics of relational systems is an important problem in the natural sciences, with applications ranging from molecular simulations to…