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Zijie Li

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2 published item(s)

preprint2026arXiv

Towards Robust Sequential Decomposition for Complex Image Editing

Recent advances in visual generative models have enabled high-fidelity image editing guided by human instructions. However, these models often struggle with complex instructions involving combinatorial editing operations or inter-step dependencies. This difficulty stems from the limitations of two canonical paradigms: (1) single-turn editing, which attempts to apply all instructed edits in one pass, often fails to parse the complex instruction accurately and causes undesired edits; and (2) sequential editing can decompose the task into simpler steps but suffers from compounding errors introduced by the sequential execution, leading to low-fidelity results. To derive a robust solution for complex image editing, we examine editing behaviors of different paradigms under a unified in-context editing framework, and study how the benefits of sequential decomposition can be balanced against its error-accumulation drawbacks. We further develop a synthetic data pipeline that constructs editing tasks of varying instruction complexity, allowing us to curate a large-scale editing dataset with high-quality decomposed sequences. By finetuning on synthetic data, we discovered that with properly designed editing paradigms, sequential decomposition yields robust improvements even as task complexity increases. Furthermore, the decomposition skills learned from synthetic tasks can transfer to real images by co-training with real-world editing data, demonstrating the promise of sim-to-real generalization for tackling complex image editing across broader domains.

preprint2022arXiv

Graph Neural Networks Accelerated Molecular Dynamics

Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive. In each MD step, numerous iterative computations are performed to calculate energy based on different types of interaction and their corresponding spatial gradients. These repetitive computations can be learned and surrogated by a deep learning model like a Graph Neural Network (GNN). In this work, we developed a GNN Accelerated Molecular Dynamics (GAMD) model that directly predicts forces given the state of the system (atom positions, atom types), bypassing the evaluation of potential energy. By training the GNN on a variety of data sources (simulation data derived from classical MD and density functional theory), we show that GAMD can predict the dynamics of two typical molecular systems, Lennard-Jones system and Water system, in the NVT ensemble with velocities regulated by a thermostat. We further show that GAMD's learning and inference are agnostic to the scale, where it can scale to much larger systems at test time. We also perform a comprehensive benchmark test comparing our implementation of GAMD to production-level MD softwares, showing GAMD's competitive performance on the large-scale simulation.