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Zhiyuan Yan

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Preprint Aug 2026

UniWorld-Design: From Pixel Generation to Layer-Native Design

We introduce UniWorld-Design, a framework that redefines image generation from flat pixel synthesis to structured visual composition, with semantic RGBA layers as the atomic units of generation, understanding, and editing. Our key insight is that pixels define how an image is rendered, whereas layers define how an image is created, understood, and edited. Just as human designers create and manipulate visual content through layers rather than raw pixels, UniWorld-Design equips multimodal generative models with a layer-native design space. UniWorld-Design comprises two models. The Text-to-RGBA (T2RGBA) model generates standalone RGBA assets directly from text. The Image-to-Layer (I2L) model conditions on a finished image, a global instruction and per-layer prompts, and jointly produces ordered, complete semantic RGBA layers. Its instruction interface supports top-level decomposition, recursive decomposition and targeted extraction, making layering an instruction-addressable operation for agentic editing. Because I2L learns complete semantic objects rather than visible-pixel partitions, its layers stay usable when moved or removed. On the Crello benchmark, I2L reduces per-layer RGB L1 error by 37% and achieves a 34% relative improvement in Alpha Soft IoU over Qwen-Image-Layered. Separately, T2RGBA achieves the highest CLIP Score, outperforming LayerDiffuse and OmniAlpha.

Zongjian Li, Zhiyuan Yan, Chenxu Bai et al. · 0 citations
Preprint Jul 2026

Hypothesis-and-Refinement Learning of Organic Structures from Multimodal Spectroscopic Data

Determining molecular structures from spectroscopic data remains fundamentally challenging because the inverse problem is intrinsically underdetermined: individual spectra are sparse, low-dimensional, and encode only partial structural evidence relative to the vast space of possible molecules. We address this challenge by formulating automated structure elucidation as a scalable hypothesis-refinement paradigm that tightly integrates spectral evidence with large-scale molecular priors. To supply structure-resolving NMR signals for multimodal learning, we construct \textbf{QM9SPIN}, a DFT-derived dataset comprising diverse 1D and 2D spectra, including J-coupling, DEPT experiments, and explicit spin--spin interactions. On this foundation, we introduce \textbf{SpectroMol}, a spectrum-to-structure model that proposes chemically valid molecular hypotheses conditioned on multimodal spectral inputs. Complementarily, we develop \textbf{MS-Mol2Mol}, a high-resolution mass-constrained molecular generator that integrates molecular formula, exact mass, and degree of unsaturation within a conditional generative prior trained on 400 million molecules, ensuring global compositional consistency and chemically realistic refinement. The integrated system achieves 93.8\% top-1 accuracy on the simulated benchmark, adapts effectively from simulated to experimental spectra with limited experimental fine-tuning, and further improves experimental predictions through mass-guided refinement, establishing a scalable route toward automated, data-driven organic structure elucidation.

Chengchun Liu, Zhiyuan Yan, Li Yuan et al. · 0 citations
Open access Jul 2026

Navigating chemical-linguistic sharing space with heterogeneous molecular encoding

HME is presented, a framework that combines multiple views of molecules to improve molecular understanding and design and enables bidirectional navigation of the chemical-linguistic space, achieving consistent improvements across molecular comprehension and design tasks over strong baselines.

Liuzhenghao Lv, Hao Li, Yu Wang et al. · 0 citations