FuseDiff: Symmetry-Preserving Joint Diffusion for Dual-Target Structure-Based Drug Design

arXiv:2603.05567 · cs.LG · Submitted 2026-03-05 · Read on arXiv

cs.LG

Submitted: 2026-03-05

Updated: 2026-09-07

Comments: KDD 2026

DOI: 10.1145/3770855.3819050

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Diffusion Model — 15× in this paper · explained in 8 episodes
• Benchmark — 13× in this paper · explained in 2 episodes
• Consistency — 10× in this paper · explained in 3 episodes
• Ablation — 8× in this paper · explained in 1 episode
• Embeddings — 8× in this paper · explained in 2 episodes
• Diffusion Models — 6× in this paper · explained in 6 episodes
• Dual-target Local Context Fusion — 6× in this paper
• Generative Modeling — 5× in this paper · explained in 3 episodes
• Alignment — 3× in this paper · explained in 1 episode
• Benchmarking — 3× in this paper · explained in 3 episodes
• Diffusion Process — 3× in this paper · explained in 2 episodes
• Generative Model — 3× in this paper · explained in 2 episodes
• Ablation Studies — 2× in this paper · explained in 1 episode
• Adaptation — 2× in this paper · explained in 1 episode
• GNNs — 2× in this paper · explained in 2 episodes
• Generative Models — 2× in this paper · explained in 2 episodes
• Ablation study — 1× in this paper · explained in 1 episode
• Adversarial Training — 1× in this paper · explained in 1 episode
• Aggregation — 1× in this paper · explained in 1 episode
• Computational overhead — 1× in this paper · explained in 2 episodes
• Core — 1× in this paper · explained in 2 episodes
• Failure Modes — 1× in this paper · explained in 3 episodes
• Local Optimization — 1× in this paper · explained in 2 episodes
• Mother Of All Databases — 1× in this paper
• Redundancy — 1× in this paper · explained in 2 episodes
• Reinforcement Learning — 1× in this paper · explained in 4 episodes

Sources

• A 3D pocket-aware and evolutionary conserved interaction guided diffusion model for molecular optimization

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