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Mingchen Gao

Publications and source records attributed to Mingchen Gao.

At least 19 recordsLinked to original sources
arXiv2026

Chem World: A Large-Scale Benchmark and Physics-Informed Framework for Trustworthy Chemical Property Prediction

Chemical property prediction plays a critical role in accelerating scientific discovery in chemistry, materials science, and drug development. However, existing benchmarks often suffer from limited task diversity, fragmented datasets, and inconsistent evaluation protocols, making it challenging to systematically assess the reliability and generalization of AI models. In this work, we introduce Chem World, a comprehensive benchmark for chemical property prediction that integrates 17 diverse chemical datasets with over 800,000 molecular samples, covering various properties including density, electrical conductivity, solubility, and other molecular characteristics. Chem World provides a unified platform for evaluating AI models across multiple property prediction tasks. Furthermore, we propose Mixture-PINN, a physics-informed neural network based prediction framework that incorporates chemical prior knowledge into data-driven learning, improving the accuracy, robustness, and reliability of chemical property prediction. Extensive experiments on Chem World demonstrate the effectiveness of our approach compared with existing methods. By combining large-scale standardized evaluation with physics-informed learning, Chem World establishes a foundation for developing trustworthy AI systems for computational chemistry and advancing AI-driven scientific discovery.

cs.LG↗
arXiv2026

CWCD: Category-Wise Contrastive Decoding for Structured Medical Report Generation

Interpreting chest X-rays is inherently challenging due to the overlap between anatomical structures and the subtle presentation of many clinically significant pathologies, making accurate diagnosis time-consuming even for experienced radiologists. Recent radiology-focused foundation models, such as LLaVA-Rad and Maira-2, have positioned multi-modal large language models (MLLMs) at the forefront of automated radiology report generation (RRG). However, despite these advances, current foundation models generate reports in a single forward pass. This decoding strategy diminishes attention to visual tokens and increases reliance on language priors as generation proceeds, which in turn introduces spurious pathology co-occurrences in the generated reports. To mitigate these limitations, we propose Category-Wise Contrastive Decoding (CWCD), a novel and modular framework designed to enhance structured radiology report generation (SRRG). Our approach introduces category-specific parameterization and generates category-wise reports by contrasting normal X-rays with masked X-rays using category-specific visual prompts. Experimental results demonstrate that CWCD consistently outperforms baseline methods across both clinical efficacy and natural language generation metrics. An ablation study further elucidates the contribution of each architectural component to overall performance.

cs.AI↗
arXiv2026

FairLLaVA: Fairness-Aware Parameter-Efficient Fine-Tuning for Large Vision-Language Assistants

While powerful in image-conditioned generation, multimodal large language models (MLLMs) can display uneven performance across demographic groups, highlighting fairness risks. In safety-critical clinical settings, such disparities risk producing unequal diagnostic narratives and eroding trust in AI-assisted decision-making. While fairness has been studied extensively in vision-only and language-only models, its impact on MLLMs remains largely underexplored. To address these biases, we introduce FairLLaVA, a parameter-efficient fine-tuning method that mitigates group disparities in visual instruction tuning without compromising overall performance. By minimizing the mutual information between target attributes, FairLLaVA regularizes the model's representations to be demographic-invariant. The method can be incorporated as a lightweight plug-in, maintaining efficiency with low-rank adapter fine-tuning, and provides an architecture-agnostic approach to fair visual instruction following. Extensive experiments on large-scale chest radiology report generation and dermoscopy visual question answering benchmarks show that FairLLaVA consistently reduces inter-group disparities while improving both equity-scaled clinical performance and natural language generation quality across diverse medical imaging modalities. Code can be accessed at https://github.com/bhosalems/FairLLaVA.

cs.CV↗
arXiv2026

Refining 3D Medical Segmentation with Verbal Instruction

Accurate 3D anatomical segmentation is essential for clinical diagnosis and surgical planning. However, automated models frequently generate suboptimal shape predictions due to factors such as limited and imbalanced training data, inadequate labeling quality, and distribution shifts between training and deployment settings. A natural solution is to iteratively refine the predicted shape based on the radiologists' verbal instructions. However, this is hindered by the scarcity of paired data that explicitly links erroneous shapes to corresponding corrective instructions. As an initial step toward addressing this limitation, we introduce CoWTalk, a benchmark comprising 3D arterial anatomies with controllable synthesized anatomical errors and their corresponding repairing instructions. Building on this benchmark, we further propose an iterative refinement model that represents 3D shapes as vector sets and interacts with textual instructions to progressively update the target shape. Experimental results demonstrate that our method achieves significant improvements over corrupted inputs and competitive baselines, highlighting the feasibility of language-driven clinician-in-the-loop refinement for 3D medical shapes modeling.

cs.CV↗
arXiv2026

Volumetric Directional Diffusion: Anchoring Uncertainty Quantification in Anatomical Consensus for Ambiguous Medical Image Segmentation

Ambiguous 3D medical image segmentation often involves boundaries where different expert delineations are non-identical yet clinically plausible. Modeling such inter-observer variability requires a careful balance between diversity and anatomical fidelity: deterministic models preserve coherent volumetric structures but collapse expert disagreement into a single mask, while stochastic generative models can produce diverse samples but may introduce disconnected components or slice-to-slice inconsistency when generating full 3D masks from unstructured noise. We propose Volumetric Directional Diffusion (VDD), a prior-anchored diffusion framework that shifts stochastic generation from full-mask synthesis to residual boundary exploration. VDD uses a coarse consensus prediction as an anatomical anchor and learns a directional diffusion process to generate plausible boundary variations around ambiguous regions while preserving stable volumetric topology. Experiments on three multi-rater datasets, including LIDC-IDRI, KiTS21, and ISBI 2015, show that VDD improves uncertainty distribution alignment while maintaining competitive segmentation accuracy and 3D structural consistency. These results suggest that prior-anchored residual diffusion can model clinically plausible expert disagreement without sacrificing anatomical fidelity.

cs.CV↗
arXiv2025

From Efficiency to Adaptivity: A Deeper Look at Adaptive Reasoning in Large Language Models

Recent advances in large language models (LLMs) have made reasoning a central benchmark for evaluating intelligence. While prior surveys focus on efficiency by examining how to shorten reasoning chains or reduce computation, this view overlooks a fundamental challenge: current LLMs apply uniform reasoning strategies regardless of task complexity, generating long traces for trivial problems while failing to extend reasoning for difficult tasks. This survey reframes reasoning through the lens of {adaptivity}: the capability to allocate reasoning effort based on input characteristics such as difficulty and uncertainty. We make three contributions. First, we formalize deductive, inductive, and abductive reasoning within the LLM context, connecting these classical cognitive paradigms with their algorithmic realizations. Second, we formalize adaptive reasoning as a control-augmented policy optimization problem balancing task performance with computational cost, distinguishing learned policies from inference-time control mechanisms. Third, we propose a systematic taxonomy organizing existing methods into training-based approaches that internalize adaptivity through reinforcement learning, supervised fine-tuning, and learned controllers, and training-free approaches that achieve adaptivity through prompt conditioning, feedback-driven halting, and modular composition. This framework clarifies how different mechanisms realize adaptive reasoning in practice and enables systematic comparison across diverse strategies. We conclude by identifying open challenges in self-evaluation, meta-reasoning, and human-aligned reasoning control.

cs.AI↗
arXiv2025

Model-Agnostic Gender Bias Control for Text-to-Image Generation via Sparse Autoencoder

Text-to-image (T2I) diffusion models often exhibit gender bias, particularly by generating stereotypical associations between professions and gendered subjects. This paper presents SAE Debias, a lightweight and model-agnostic framework for mitigating such bias in T2I generation. Unlike prior approaches that rely on CLIP-based filtering or prompt engineering, which often require model-specific adjustments and offer limited control, SAE Debias operates directly within the feature space without retraining or architectural modifications. By leveraging a k-sparse autoencoder pre-trained on a gender bias dataset, the method identifies gender-relevant directions within the sparse latent space, capturing professional stereotypes. Specifically, a biased direction per profession is constructed from sparse latents and suppressed during inference to steer generations toward more gender-balanced outputs. Trained only once, the sparse autoencoder provides a reusable debiasing direction, offering effective control and interpretable insight into biased subspaces. Extensive evaluations across multiple T2I models, including Stable Diffusion 1.4, 1.5, 2.1, and SDXL, demonstrate that SAE Debias substantially reduces gender bias while preserving generation quality. To the best of our knowledge, this is the first work to apply sparse autoencoders for identifying and intervening in gender bias within T2I models. These findings contribute toward building socially responsible generative AI, providing an interpretable and model-agnostic tool to support fairness in text-to-image generation.

cs.LG↗
arXiv2025

Template-Guided Reconstruction of Pulmonary Segments with Neural Implicit Functions

High-quality 3D reconstruction of pulmonary segments plays a crucial role in segmentectomy and surgical planning for the treatment of lung cancer. Due to the resolution requirement of the target reconstruction, conventional deep learning-based methods often suffer from computational resource constraints or limited granularity. Conversely, implicit modeling is favored due to its computational efficiency and continuous representation at any resolution. We propose a neural implicit function-based method to learn a 3D surface to achieve anatomy-aware, precise pulmonary segment reconstruction, represented as a shape by deforming a learnable template. Additionally, we introduce two clinically relevant evaluation metrics to comprehensively assess the quality of the reconstruction. Furthermore, to address the lack of publicly available shape datasets for benchmarking reconstruction algorithms, we developed a shape dataset named Lung3D, which includes the 3D models of 800 labeled pulmonary segments and their corresponding airways, arteries, veins, and intersegmental veins. We demonstrate that the proposed approach outperforms existing methods, providing a new perspective for pulmonary segment reconstruction. Code and data will be available at https://github.com/HINTLab/ImPulSe.

cs.GR↗
arXiv2024

Vision-Language Model Based Handwriting Verification

Handwriting Verification is a critical in document forensics. Deep learning based approaches often face skepticism from forensic document examiners due to their lack of explainability and reliance on extensive training data and handcrafted features. This paper explores using Vision Language Models (VLMs), such as OpenAI's GPT-4o and Google's PaliGemma, to address these challenges. By leveraging their Visual Question Answering capabilities and 0-shot Chain-of-Thought (CoT) reasoning, our goal is to provide clear, human-understandable explanations for model decisions. Our experiments on the CEDAR handwriting dataset demonstrate that VLMs offer enhanced interpretability, reduce the need for large training datasets, and adapt better to diverse handwriting styles. However, results show that the CNN-based ResNet-18 architecture outperforms the 0-shot CoT prompt engineering approach with GPT-4o (Accuracy: 70%) and supervised fine-tuned PaliGemma (Accuracy: 71%), achieving an accuracy of 84% on the CEDAR AND dataset. These findings highlight the potential of VLMs in generating human-interpretable decisions while underscoring the need for further advancements to match the performance of specialized deep learning models.

cs.CV↗
arXiv2024

Self-Supervised Learning Based Handwriting Verification

We present SSL-HV: Self-Supervised Learning approaches applied to the task of Handwriting Verification. This task involves determining whether a given pair of handwritten images originate from the same or different writer distribution. We have compared the performance of multiple generative, contrastive SSL approaches against handcrafted feature extractors and supervised learning on CEDAR AND dataset. We show that ResNet based Variational Auto-Encoder (VAE) outperforms other generative approaches achieving 76.3% accuracy, while ResNet-18 fine-tuned using Variance-Invariance-Covariance Regularization (VICReg) outperforms other contrastive approaches achieving 78% accuracy. Using a pre-trained VAE and VICReg for the downstream task of writer verification we observed a relative improvement in accuracy of 6.7% and 9% over ResNet-18 supervised baseline with 10% writer labels.

cs.CV↗
arXiv2024

Looking Beyond What You See: An Empirical Analysis on Subgroup Intersectional Fairness for Multi-label Chest X-ray Classification Using Social Determinants of Racial Health Inequities

There has been significant progress in implementing deep learning models in disease diagnosis using chest X- rays. Despite these advancements, inherent biases in these models can lead to disparities in prediction accuracy across protected groups. In this study, we propose a framework to achieve accurate diagnostic outcomes and ensure fairness across intersectional groups in high-dimensional chest X- ray multi-label classification. Transcending traditional protected attributes, we consider complex interactions within social determinants, enabling a more granular benchmark and evaluation of fairness. We present a simple and robust method that involves retraining the last classification layer of pre-trained models using a balanced dataset across groups. Additionally, we account for fairness constraints and integrate class-balanced fine-tuning for multi-label settings. The evaluation of our method on the MIMIC-CXR dataset demonstrates that our framework achieves an optimal tradeoff between accuracy and fairness compared to baseline methods.

cs.LG↗
arXiv2024

Continual Domain Adversarial Adaptation via Double-Head Discriminators

Domain adversarial adaptation in a continual setting poses a significant challenge due to the limitations on accessing previous source domain data. Despite extensive research in continual learning, the task of adversarial adaptation cannot be effectively accomplished using only a small number of stored source domain data, which is a standard setting in memory replay approaches. This limitation arises from the erroneous empirical estimation of $\gH$-divergence with few source domain samples. To tackle this problem, we propose a double-head discriminator algorithm, by introducing an addition source-only domain discriminator that are trained solely on source learning phase. We prove that with the introduction of a pre-trained source-only domain discriminator, the empirical estimation error of $\gH$-divergence related adversarial loss is reduced from the source domain side. Further experiments on existing domain adaptation benchmark show that our proposed algorithm achieves more than 2$\%$ improvement on all categories of target domain adaptation task while significantly mitigating the forgetting on source domain.

cs.LG↗
arXiv2023

Seeing the Unheard: dynamics of thin liquid film in holographic ultrasonic field revealed by time-resolved Schlieren imaging

In this study, we introduce a unique approach that employs time-resolved Schlieren imaging to capture and visualize the dynamic changes of a thin liquid (mixture of water, soap and glycerin) film in ultrasonic wave field with high spatial and temporal resolution. By placing a soap film spanning a wire frame vertically in the path of light, we harnessed the vibrations induced by the ultrasonic waves, resulting in remarkable Schlieren imaging patterns. The investigation not only uncovers an unexpected branch flow phenomenon within the film, challenging existing assumptions, but also reveals a fascinating interplay between vortex flow and branch flow. The experiments have revealed a captivating spectrum of dynamic phenomena within the thin liquid films. The observation of small-scale capillary waves, large-scale standing waves, traveling waves, and the intricate fusion of capillary-gravity wave patterns underscores the rich complexity inherent in the interaction between the films and the holographic ultrasonic wave field. These diverse states of film dynamics provide a comprehensive understanding of the intricate interplay between various wave modes and fluid behavior, further enhancing comprehension of this fascinating phenomenon. The ability to visualize the pressure field opens up new avenues for optimizing acoustic levitation techniques, investigating particle behavior, and exploring potential applications in materials science and bioengineering.

physics.flu-dyn↗
arXiv2023

Continual Segment: Towards a Single, Unified and Accessible Continual Segmentation Model of 143 Whole-body Organs in CT Scans

Deep learning empowers the mainstream medical image segmentation methods. Nevertheless current deep segmentation approaches are not capable of efficiently and effectively adapting and updating the trained models when new incremental segmentation classes (along with new training datasets or not) are required to be added. In real clinical environment, it can be preferred that segmentation models could be dynamically extended to segment new organs/tumors without the (re-)access to previous training datasets due to obstacles of patient privacy and data storage. This process can be viewed as a continual semantic segmentation (CSS) problem, being understudied for multi-organ segmentation. In this work, we propose a new architectural CSS learning framework to learn a single deep segmentation model for segmenting a total of 143 whole-body organs. Using the encoder/decoder network structure, we demonstrate that a continually-trained then frozen encoder coupled with incrementally-added decoders can extract and preserve sufficiently representative image features for new classes to be subsequently and validly segmented. To maintain a single network model complexity, we trim each decoder progressively using neural architecture search and teacher-student based knowledge distillation. To incorporate with both healthy and pathological organs appearing in different datasets, a novel anomaly-aware and confidence learning module is proposed to merge the overlapped organ predictions, originated from different decoders. Trained and validated on 3D CT scans of 2500+ patients from four datasets, our single network can segment total 143 whole-body organs with very high accuracy, closely reaching the upper bound performance level by training four separate segmentation models (i.e., one model per dataset/task).

cs.CV↗
arXiv2022

Meta-Learning with Less Forgetting on Large-Scale Non-Stationary Task Distributions

The paradigm of machine intelligence moves from purely supervised learning to a more practical scenario when many loosely related unlabeled data are available and labeled data is scarce. Most existing algorithms assume that the underlying task distribution is stationary. Here we consider a more realistic and challenging setting in that task distributions evolve over time. We name this problem as Semi-supervised meta-learning with Evolving Task diStributions, abbreviated as SETS. Two key challenges arise in this more realistic setting: (i) how to use unlabeled data in the presence of a large amount of unlabeled out-of-distribution (OOD) data; and (ii) how to prevent catastrophic forgetting on previously learned task distributions due to the task distribution shift. We propose an OOD Robust and knowleDge presErved semi-supeRvised meta-learning approach (ORDER), to tackle these two major challenges. Specifically, our ORDER introduces a novel mutual information regularization to robustify the model with unlabeled OOD data and adopts an optimal transport regularization to remember previously learned knowledge in feature space. In addition, we test our method on a very challenging dataset: SETS on large-scale non-stationary semi-supervised task distributions consisting of (at least) 72K tasks. With extensive experiments, we demonstrate the proposed ORDER alleviates forgetting on evolving task distributions and is more robust to OOD data than related strong baselines.

cs.CV↗
arXiv2022

Improving Task-free Continual Learning by Distributionally Robust Memory Evolution

Task-free continual learning (CL) aims to learn a non-stationary data stream without explicit task definitions and not forget previous knowledge. The widely adopted memory replay approach could gradually become less effective for long data streams, as the model may memorize the stored examples and overfit the memory buffer. Second, existing methods overlook the high uncertainty in the memory data distribution since there is a big gap between the memory data distribution and the distribution of all the previous data examples. To address these problems, for the first time, we propose a principled memory evolution framework to dynamically evolve the memory data distribution by making the memory buffer gradually harder to be memorized with distributionally robust optimization (DRO). We then derive a family of methods to evolve the memory buffer data in the continuous probability measure space with Wasserstein gradient flow (WGF). The proposed DRO is w.r.t the worst-case evolved memory data distribution, thus guarantees the model performance and learns significantly more robust features than existing memory-replay-based methods. Extensive experiments on existing benchmarks demonstrate the effectiveness of the proposed methods for alleviating forgetting. As a by-product of the proposed framework, our method is more robust to adversarial examples than existing task-free CL methods. Code is available on GitHub \url{https://github.com/joey-wang123/DRO-Task-free}

cs.LG↗
arXiv2022

Progressive Voronoi Diagram Subdivision: Towards A Holistic Geometric Framework for Exemplar-free Class-Incremental Learning

Exemplar-free Class-incremental Learning (CIL) is a challenging problem because rehearsing data from previous phases is strictly prohibited, causing catastrophic forgetting of Deep Neural Networks (DNNs). In this paper, we present iVoro, a holistic framework for CIL, derived from computational geometry. We found Voronoi Diagram (VD), a classical model for space subdivision, is especially powerful for solving the CIL problem, because VD itself can be constructed favorably in an incremental manner -- the newly added sites (classes) will only affect the proximate classes, making the non-contiguous classes hardly forgettable. Further, in order to find a better set of centers for VD construction, we colligate DNN with VD using Power Diagram and show that the VD structure can be optimized by integrating local DNN models using a divide-and-conquer algorithm. Moreover, our VD construction is not restricted to the deep feature space, but is also applicable to multiple intermediate feature spaces, promoting VD to be multi-centered VD (CIVD) that efficiently captures multi-grained features from DNN. Importantly, iVoro is also capable of handling uncertainty-aware test-time Voronoi cell assignment and has exhibited high correlations between geometric uncertainty and predictive accuracy (up to ~0.9). Putting everything together, iVoro achieves up to 25.26%, 37.09%, and 33.21% improvements on CIFAR-100, TinyImageNet, and ImageNet-Subset, respectively, compared to the state-of-the-art non-exemplar CIL approaches. In conclusion, iVoro enables highly accurate, privacy-preserving, and geometrically interpretable CIL that is particularly useful when cross-phase data sharing is forbidden, e.g. in medical applications. Our code is available at https://machunwei.github.io/ivoro.

cs.CV↗
arXiv2022

A Bayesian Detect to Track System for Robust Visual Object Tracking and Semi-Supervised Model Learning

Object tracking is one of the fundamental problems in visual recognition tasks and has achieved significant improvements in recent years. The achievements often come with the price of enormous hardware consumption and expensive labor effort for consecutive labeling. A missing ingredient for robust tracking is achieving performance with minimal modification on network structure and semi-supervised learning intermittent labeled frames. In this paper, we ad-dress these problems in a Bayesian tracking and detection framework parameterized by neural network outputs. In our framework, the tracking and detection process is formulated in a probabilistic way as multi-objects dynamics and network detection uncertainties. With our formulation, we propose a particle filter-based approximate sampling algorithm for tracking object state estimation. Based on our particle filter inference algorithm, a semi-supervised learn-ing algorithm is utilized for learning tracking network on intermittent labeled frames by variational inference. In our experiments, we provide both mAP and probability-based detection measurements for comparison between our algorithm with non-Bayesian solutions. We also train a semi-supervised tracking network on M2Cai16-Tool-Locations Dataset and compare our results with supervised learning on fully labeled frames.

cs.CV↗