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Researcher profile

Chixiang Lu

Chixiang Lu contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
Computer VisionMachine LearningArtificial Intelligence

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Published work

4 published item(s)

preprint2026arXiv

CoRe-Gen: Robust Spectrum-to-Structure Generation under Imperfect Fingerprint Conditions

Molecular structure elucidation from tandem mass spectra (MS/MS) remains challenging, particularly for de novo generation beyond database coverage. A common approach decomposes the task into spectrum-to-fingerprint prediction followed by fingerprint-to-structure decoding, enabling the use of large-scale molecular corpora. However, at deployment, the decoder relies on predicted rather than oracle fingerprints, introducing structured errors that propagate into generation. This results in a fundamental condition mismatch, where models trained on clean inputs must operate under noisy, biased predictions, especially for long-tail substructures. We present CoRe-Gen that explicitly addresses this gap. CoRe-Gen improves the intermediate condition via synthetic-spectrum pretraining of the encoder, matches deployment-time noise through frequency-aware fingerprint corruption during decoder training, and mitigates residual errors using structure-aware autoregressive decoding with compositional SELFIES representations, auxiliary structural supervision, and lightweight chemical constraints. Experiments on standard benchmarks show that CoRe-Gen establishes a new state of the art on NPLIB1, achieving 19.54\% Top-1 and 29.92\% Top-10 exact-match accuracy, while remaining competitive on the more challenging MassSpecGym benchmark. Importantly, CoRe-Gen preserves the efficiency advantages of autoregressive decoding, providing a practical and scalable solution for robust spectrum-to-structure generation under realistic conditions.

0 citations0 reviewsNo code linkedOpen access
preprint2023arXiv

GraVIS: Grouping Augmented Views from Independent Sources for Dermatology Analysis

Self-supervised representation learning has been extremely successful in medical image analysis, as it requires no human annotations to provide transferable representations for downstream tasks. Recent self-supervised learning methods are dominated by noise-contrastive estimation (NCE, also known as contrastive learning), which aims to learn invariant visual representations by contrasting one homogeneous image pair with a large number of heterogeneous image pairs in each training step. Nonetheless, NCE-based approaches still suffer from one major problem that is one homogeneous pair is not enough to extract robust and invariant semantic information. Inspired by the archetypical triplet loss, we propose GraVIS, which is specifically optimized for learning self-supervised features from dermatology images, to group homogeneous dermatology images while separating heterogeneous ones. In addition, a hardness-aware attention is introduced and incorporated to address the importance of homogeneous image views with similar appearance instead of those dissimilar homogeneous ones. GraVIS significantly outperforms its transfer learning and self-supervised learning counterparts in both lesion segmentation and disease classification tasks, sometimes by 5 percents under extremely limited supervision. More importantly, when equipped with the pre-trained weights provided by GraVIS, a single model could achieve better results than winners that heavily rely on ensemble strategies in the well-known ISIC 2017 challenge.

0 citations0 reviewsNo code linkedOpen access
preprint2023arXiv

PCRLv2: A Unified Visual Information Preservation Framework for Self-supervised Pre-training in Medical Image Analysis

Recent advances in self-supervised learning (SSL) in computer vision are primarily comparative, whose goal is to preserve invariant and discriminative semantics in latent representations by comparing siamese image views. However, the preserved high-level semantics do not contain enough local information, which is vital in medical image analysis (e.g., image-based diagnosis and tumor segmentation). To mitigate the locality problem of comparative SSL, we propose to incorporate the task of pixel restoration for explicitly encoding more pixel-level information into high-level semantics. We also address the preservation of scale information, a powerful tool in aiding image understanding but has not drawn much attention in SSL. The resulting framework can be formulated as a multi-task optimization problem on the feature pyramid. Specifically, we conduct multi-scale pixel restoration and siamese feature comparison in the pyramid. In addition, we propose non-skip U-Net to build the feature pyramid and develop sub-crop to replace multi-crop in 3D medical imaging. The proposed unified SSL framework (PCRLv2) surpasses its self-supervised counterparts on various tasks, including brain tumor segmentation (BraTS 2018), chest pathology identification (ChestX-ray, CheXpert), pulmonary nodule detection (LUNA), and abdominal organ segmentation (LiTS), sometimes outperforming them by large margins with limited annotations.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Preservational Learning Improves Self-supervised Medical Image Models by Reconstructing Diverse Contexts

Preserving maximal information is one of principles of designing self-supervised learning methodologies. To reach this goal, contrastive learning adopts an implicit way which is contrasting image pairs. However, we believe it is not fully optimal to simply use the contrastive estimation for preservation. Moreover, it is necessary and complemental to introduce an explicit solution to preserve more information. From this perspective, we introduce Preservational Learning to reconstruct diverse image contexts in order to preserve more information in learned representations. Together with the contrastive loss, we present Preservational Contrastive Representation Learning (PCRL) for learning self-supervised medical representations. PCRL provides very competitive results under the pretraining-finetuning protocol, outperforming both self-supervised and supervised counterparts in 5 classification/segmentation tasks substantially.

0 citations0 reviewsNo code linkedOpen access