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Chuang Wang

Chuang Wang contributes to research discovery and scholarly infrastructure.

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Published work

8 published item(s)

preprint2026arXiv

RxnCaption: Reformulating Reaction Diagram Parsing as Visual Prompt Guided Captioning

Large-scale chemical reaction datasets are crucial for AI research in chemistry. However, existing chemical reaction data often exist as images within papers, making them not machine-readable and unusable for training machine learning models. In response to this challenge, we propose the RxnCaption framework for the task of chemical Reaction Diagram Parsing (RxnDP). Our framework reformulates the traditional coordinate prediction driven parsing process into an image captioning problem, which Large Vision Language Models (LVLMs) handle naturally. We introduce a strategy termed BBox and Index as Visual Prompt (BIVP), which uses our state-of-the-art molecular detector, MolYOLO, to pre-draw molecular bounding boxes and indices directly onto the input image. This turns the downstream parsing into a natural-language description problem. Extensive experiments show that the BIVP strategy significantly improves structural extraction quality while simplifying model design. We further construct the RxnCaption-15k dataset, an order of magnitude larger than prior real-world literature benchmarks, with a balanced test subset across four layout archetypes. Experiments demonstrate that RxnCaption-VL achieves state-of-the-art performance on multiple metrics. We believe our method, dataset, and models will advance structured information extraction from chemical literature and catalyze broader AI applications in chemistry. We will release data, models, and code on GitHub.

preprint2026arXiv

VAnim: Rendering-Aware Sparse State Modeling for Structure-Preserving Vector Animation

Scalable Vector Graphics (SVG) animation generation is pivotal for professional design due to their structural editability and resolution independence. However, this task remains challenging as it requires bridging discrete code representations with continuous visual dynamics. Existing optimization-based methods often destroy topological consistency, while general-purpose LLMs rely on rigid CSS/SMIL transformations, failing to model geometry-level non-rigid deformations. To address these limitations, we present VAnim, the first LLM-based framework for open-domain text-to-SVG animation. We reconceptualize animation not as sequence generation, but as Sparse State Updates (SSU) on a persistent SVG DOM tree. This paradigm compresses sequence length by over 9.8x while preserving the SVG DOM structure and non-participating elements by construction. To enable precise control, we propose an Identification-First Motion Planning mechanism that grounds textual instructions in explicit visual entities. Furthermore, to overcome the non-differentiable nature of SVG rendering, we employ Rendering-Aware Reinforcement Learning via Group Relative Policy Optimization (GRPO). By leveraging a hybrid reward from a state-of-the-art video perception encoder, we align discrete code updates with high-fidelity visual feedback. We also introduce SVGAnim-134k, the first benchmark for vector animation. Extensive experiments demonstrate that VAnim significantly outperforms state-of-the-art baselines in semantic alignment and structural validity, with additional appendix metrics further validating motion quality and identity preservation.

preprint2024arXiv

Inversion-by-Inversion: Exemplar-based Sketch-to-Photo Synthesis via Stochastic Differential Equations without Training

Exemplar-based sketch-to-photo synthesis allows users to generate photo-realistic images based on sketches. Recently, diffusion-based methods have achieved impressive performance on image generation tasks, enabling highly-flexible control through text-driven generation or energy functions. However, generating photo-realistic images with color and texture from sketch images remains challenging for diffusion models. Sketches typically consist of only a few strokes, with most regions left blank, making it difficult for diffusion-based methods to produce photo-realistic images. In this work, we propose a two-stage method named ``Inversion-by-Inversion" for exemplar-based sketch-to-photo synthesis. This approach includes shape-enhancing inversion and full-control inversion. During the shape-enhancing inversion process, an uncolored photo is generated with the guidance of a shape-energy function. This step is essential to ensure control over the shape of the generated photo. In the full-control inversion process, we propose an appearance-energy function to control the color and texture of the final generated photo.Importantly, our Inversion-by-Inversion pipeline is training-free and can accept different types of exemplars for color and texture control. We conducted extensive experiments to evaluate our proposed method, and the results demonstrate its effectiveness. The code and project can be found at https://ximinng.github.io/inversion-by-inversion-project/.

preprint2020arXiv

FISHING Net: Future Inference of Semantic Heatmaps In Grids

For autonomous robots to navigate a complex environment, it is crucial to understand the surrounding scene both geometrically and semantically. Modern autonomous robots employ multiple sets of sensors, including lidars, radars, and cameras. Managing the different reference frames and characteristics of the sensors, and merging their observations into a single representation complicates perception. Choosing a single unified representation for all sensors simplifies the task of perception and fusion. In this work, we present an end-to-end pipeline that performs semantic segmentation and short term prediction using a top-down representation. Our approach consists of an ensemble of neural networks which take in sensor data from different sensor modalities and transform them into a single common top-down semantic grid representation. We find this representation favorable as it is agnostic to sensor-specific reference frames and captures both the semantic and geometric information for the surrounding scene. Because the modalities share a single output representation, they can be easily aggregated to produce a fused output. In this work we predict short-term semantic grids but the framework can be extended to other tasks. This approach offers a simple, extensible, end-to-end approach for multi-modal perception and prediction.

preprint2020arXiv

Lossless Attention in Convolutional Networks for Facial Expression Recognition in the Wild

Unlike the constraint frontal face condition, faces in the wild have various unconstrained interference factors, such as complex illumination, changing perspective and various occlusions. Facial expressions recognition (FER) in the wild is a challenging task and existing methods can't perform well. However, for occluded faces (containing occlusion caused by other objects and self-occlusion caused by head posture changes), the attention mechanism has the ability to focus on the non-occluded regions automatically. In this paper, we propose a Lossless Attention Model (LLAM) for convolutional neural networks (CNN) to extract attention-aware features from faces. Our module avoids decay information in the process of generating attention maps by using the information of the previous layer and not reducing the dimensionality. Sequentially, we adaptively refine the feature responses by fusing the attention map with the feature map. We participate in the seven basic expression classification sub-challenges of FG-2020 Affective Behavior Analysis in-the-wild Challenge. And we validate our method on the Aff-Wild2 datasets released by the Challenge. The total accuracy (Accuracy) and the unweighted mean (F1) of our method on the validation set are 0.49 and 0.38 respectively, and the final result is 0.42 (0.67 F1-Score + 0.33 Accuracy).

preprint2019arXiv

Electronic, magnetic, and optical properties of Mn-doped GaSb: a first-principles study

Half-metallic ferromagnets can produce fully spin-polarized conduction electrons and can be applied to fabricate spintronic devices. Thus, in this study, the electronic structure, magnetic properties, and optical properties of GaSb, which has exhibited half-metallicity, doped with Mn, a 3d transition metal, are calculated using the generalized gradient approximation and Heyd-Scuseria-Ernzerhof (HSE) functional. Ga$_{1-x}$Mn$_x$Sb ($x = 0.25, 0.5, 0.75$) materials exhibit ferromagnetic half-metallic properties and a high Curie temperature, indicating that this series can applied in spintronic devices. Meanwhile, they absorb strongly in the infrared band, suggesting that Ga$_{1-x}$Mn$_{x}$Sb also has potential applications in infrared photoelectric devices.

preprint2019arXiv

Study of Constrained Network Structures for WGANs on Numeric Data Generation

Some recent studies have suggested using GANs for numeric data generation such as to generate data for completing the imbalanced numeric data. Considering the significant difference between the dimensions of the numeric data and images, as well as the strong correlations between features of numeric data, the conventional GANs normally face an overfitting problem, consequently leads to an ill-conditioning problem in generating numeric and structured data. This paper studies the constrained network structures between generator G and discriminator D in WGAN, designs several structures including isomorphic, mirror and self-symmetric structures. We evaluates the performances of the constrained WGANs in data augmentations, taking the non-constrained GANs and WGANs as the baselines. Experiments prove the constrained structures have been improved in 17/20 groups of experiments. In twenty experiments on four UCI Machine Learning Repository datasets, Australian Credit Approval data, German Credit data, Pima Indians Diabetes data and SPECT heart data facing five conventional classifiers. Especially, Isomorphic WGAN is the best in 15/20 experiments. Finally, we theoretically proves that the effectiveness of constrained structures by the directed graphic model (DGM) analysis.

preprint2019arXiv

Theoretical study of structure and magnetism of Ga$_{1-x}$V$_x$Sb compounds for spintronic applications

In this paper, the structural, electronic and magnetic properties of Zinc-blende Ga1-xVxSb compounds, with x from dilute doping situation to extreme doping limiting, were systematically investigated by first-principles calculations. V atoms prefer to substitute the Ga atoms and the formation energy is lower in Sb-rich than Ga-rich growth condition. Meantime, the SbGa antisite defects can effectively decrease the energy barrier of substitution process, from 0.85 eV to 0.53 eV. The diffusion of V atom in GaSb lattice is through meta-stable interstitial sites with an energy barrier of 0.6 eV. At a low V concentration x = 0.0625, V atoms prefer a homogeneous distribution and an antiferromagnetic coupling among them. However, starting from x = 0.5, the magnetic coupling among V atoms changes to be ferromagnetic, due to enhanced superexchange interaction between eg and t2g states of neighbouring V atoms. At the extreme limiting of x = 1.00, we found that Zinc-blende VSb as well as its analogs VAs and VP are intrinsic ferromagneitc semiconductors, with a large change of light absorption at the curie temperature. These results indicate that Ga1-xVxSb compounds can provide a platform to design the new electronic, spintronic and optoelectronic devices.