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Jianji Wang

Publications and source records attributed to Jianji Wang.

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AIonopedia: an LLM agent orchestrating multimodal learning for ionic liquid discovery

The discovery of novel Ionic Liquids (ILs) is hindered by critical challenges in property prediction, including limited data, poor model accuracy, and fragmented workflows. Leveraging the power of Large Language Models (LLMs), we introduce AIonopedia, to the best of our knowledge, the first LLM agent for IL discovery. Powered by an LLM-augmented multimodal domain foundation model for ILs, AIonopedia enables accurate property predictions and incorporates a hierarchical search architecture for molecular screening and design. Trained and evaluated on a newly curated and comprehensive IL dataset, our model delivers superior performance. Complementing these results, evaluations on literature-reported systems indicate that the agent can perform effective IL modification. Moving beyond offline tests, the practical efficacy was further confirmed through real-world wet-lab validation, in which the agent demonstrated exceptional generalization capabilities on challenging out-of-distribution tasks, underscoring its ability to accelerate real-world IL discovery.

cs.AI

CylinderPlane: Nested Cylinder Representation for 3D-aware Image Generation

While the proposal of the Tri-plane representation has advanced the development of the 3D-aware image generative models, problems rooted in its inherent structure, such as multi-face artifacts caused by sharing the same features in symmetric regions, limit its ability to generate 360$^\circ$ view images. In this paper, we propose CylinderPlane, a novel implicit representation based on Cylindrical Coordinate System, to eliminate the feature ambiguity issue and ensure multi-view consistency in 360$^\circ$. Different from the inevitable feature entanglement in Cartesian coordinate-based Tri-plane representation, the cylindrical coordinate system explicitly separates features at different angles, allowing our cylindrical representation possible to achieve high-quality, artifacts-free 360$^\circ$ image synthesis. We further introduce the nested cylinder representation that composites multiple cylinders at different scales, thereby enabling the model more adaptable to complex geometry and varying resolutions. The combination of cylinders with different resolutions can effectively capture more critical locations and multi-scale features, greatly facilitates fine detail learning and robustness to different resolutions. Moreover, our representation is agnostic to implicit rendering methods and can be easily integrated into any neural rendering pipeline. Extensive experiments on both synthetic dataset and unstructured in-the-wild images demonstrate that our proposed representation achieves superior performance over previous methods.

cs.CV

PELE scores: Pelvic X-ray Landmark Detection by Pelvis Extraction and Enhancement

The pelvis, the lower part of the trunk, supports and balances the trunk. Landmark detection from a pelvic X-ray (PXR) facilitates downstream analysis and computer-assisted diagnosis and treatment of pelvic diseases. Although PXRs have the advantages of low radiation and reduced cost compared to computed tomography (CT) images, their 2D pelvis-tissue superposition of 3D structures confuses clinical decision-making. In this paper, we propose a PELvis Extraction (PELE) module that utilizes 3D prior anatomical knowledge in CT to guide and well isolate the pelvis from PXRs, thereby eliminating the influence of soft tissue. We conduct an extensive evaluation based on two public datasets and one private dataset, totaling 850 PXRs. The experimental results show that the proposed PELE module significantly improves the accuracy of PXRs landmark detection and achieves state-of-the-art performances in several benchmark metrics, thus better serving downstream tasks.

eess.IV

Stabilize, Decompose, and Denoise: Self-Supervised Fluoroscopy Denoising

Fluoroscopy is an imaging technique that uses X-ray to obtain a real-time 2D video of the interior of a 3D object, helping surgeons to observe pathological structures and tissue functions especially during intervention. However, it suffers from heavy noise that mainly arises from the clinical use of a low dose X-ray, thereby necessitating the technology of fluoroscopy denoising. Such denoising is challenged by the relative motion between the object being imaged and the X-ray imaging system. We tackle this challenge by proposing a self-supervised, three-stage framework that exploits the domain knowledge of fluoroscopy imaging. (i) Stabilize: we first construct a dynamic panorama based on optical flow calculation to stabilize the non-stationary background induced by the motion of the X-ray detector. (ii) Decompose: we then propose a novel mask-based Robust Principle Component Analysis (RPCA) decomposition method to separate a video with detector motion into a low-rank background and a sparse foreground. Such a decomposition accommodates the reading habit of experts. (iii) Denoise: we finally denoise the background and foreground separately by a self-supervised learning strategy and fuse the denoised parts into the final output via a bilateral, spatiotemporal filter. To assess the effectiveness of our work, we curate a dedicated fluoroscopy dataset of 27 videos (1,568 frames) and corresponding ground truth. Our experiments demonstrate that it achieves significant improvements in terms of denoising and enhancement effects when compared with standard approaches. Finally, expert rating confirms this efficacy.

eess.IV

Rib Suppression in Digital Chest Tomosynthesis

Digital chest tomosynthesis (DCT) is a technique to produce sectional 3D images of a human chest for pulmonary disease screening, with 2D X-ray projections taken within an extremely limited range of angles. However, under the limited angle scenario, DCT contains strong artifacts caused by the presence of ribs, jamming the imaging quality of the lung area. Recently, great progress has been achieved for rib suppression in a single X-ray image, to reveal a clearer lung texture. We firstly extend the rib suppression problem to the 3D case at the software level. We propose a $\textbf{T}$omosynthesis $\textbf{RI}$b Su$\textbf{P}$pression and $\textbf{L}$ung $\textbf{E}$nhancement $\textbf{Net}$work (TRIPLE-Net) to model the 3D rib component and provide a rib-free DCT. TRIPLE-Net takes the advantages from both 2D and 3D domains, which model the ribs in DCT with the exact FBP procedure and 3D depth information, respectively. The experiments on simulated datasets and clinical data have shown the effectiveness of TRIPLE-Net to preserve lung details as well as improve the imaging quality of pulmonary diseases. Finally, an expert user study confirms our findings.

eess.IV

Conditional Uncorrelation and Efficient Non-approximate Subset Selection in Sparse Regression

Given $m$ $d$-dimensional responsors and $n$ $d$-dimensional predictors, sparse regression finds at most $k$ predictors for each responsor for linear approximation, $1\leq k \leq d-1$. The key problem in sparse regression is subset selection, which usually suffers from high computational cost. Recent years, many improved approximate methods of subset selection have been published. However, less attention has been paid on the non-approximate method of subset selection, which is very necessary for many questions in data analysis. Here we consider sparse regression from the view of correlation, and propose the formula of conditional uncorrelation. Then an efficient non-approximate method of subset selection is proposed in which we do not need to calculate any coefficients in regression equation for candidate predictors. By the proposed method, the computational complexity is reduced from $O(\frac{1}{6}{k^3}+mk^2+mkd)$ to $O(\frac{1}{6}{k^3}+\frac{1}{2}mk^2)$ for each candidate subset in sparse regression. Because the dimension $d$ is generally the number of observations or experiments and large enough, the proposed method can greatly improve the efficiency of non-approximate subset selection.

cs.LG

Measures of Correlation for Multiple Variables

Multivariate correlation analysis plays an important role in various fields such as statistics, economics, and big data analytics. In this paper, we propose a pair of measures, the unsigned correlation coefficient (UCC) and the unsigned incorrelation coefficient (UIC), to measure the strength of correlation and incorrelation (lack of correlation) among multiple variables. The absolute value of Pearson's correlation coefficient is a special case of UCC for two variables. Some important properties of UCC and UIC show that the proposed UCC and UIC are a pair of effective measures for multivariate correlation. We also take the unsigned tri-variate correlation coefficient as an example to visually display the effectiveness of the proposed UCC, and the geometrical explanation of UIC is also discussed. All the properties and the figures of UCC and UIC show that the proposed UCC and UIC are the general measures of correlation for multiple variables.

math.ST

Associations among Image Assessments as Cost Functions in Linear Decomposition: MSE, SSIM, and Correlation Coefficient

The traditional methods of image assessment, such as mean squared error (MSE), signal-to-noise ratio (SNR), and Peak signal-to-noise ratio (PSNR), are all based on the absolute error of images. Pearson's inner-product correlation coefficient (PCC) is also usually used to measure the similarity between images. Structural similarity (SSIM) index is another important measurement which has been shown to be more effective in the human vision system (HVS). Although there are many essential differences among these image assessments, some important associations among them as cost functions in linear decomposition are discussed in this paper. Firstly, the selected bases from a basis set for a target vector are the same in the linear decomposition schemes with different cost functions MSE, SSIM, and PCC. Moreover, for a target vector, the ratio of the corresponding affine parameters in the MSE-based linear decomposition scheme and the SSIM-based scheme is a constant, which is just the value of PCC between the target vector and its estimated vector.

cs.CV