Abstract:Several evaluation metrics have been developed recently to automatically assess the quality of generative AI reports for chest radiographs based only on textual information using lexical, semantic, or clinical named entity recognition methods. In this paper, we develop a new method of report quality evaluation by first extracting fine-grained finding patterns capturing the location, laterality, and severity of a large number of clinical findings. We then performed phrasal grounding to localize their associated anatomical regions on chest radiograph images. The textual and visual measures are then combined to rate the quality of the generated reports. We present results that compare this evaluation metric with other textual metrics on a gold standard dataset derived from the MIMIC collection and show its robustness and sensitivity to factual errors.
Abstract:Accurate sleep stage classification is essential for understanding sleep disorders and improving overall health. This study proposes a novel three-stage approach for sleep stage classification using ECG signals, offering a more accessible alternative to traditional methods that often rely on complex modalities like EEG. In Stages 1 and 2, we initialize the weights of two networks, which are then integrated in Stage 3 for comprehensive classification. In the first phase, we estimate key features using Feature Imitating Networks (FINs) to achieve higher accuracy and faster convergence. The second phase focuses on identifying the N1 sleep stage through the time-frequency representation of ECG signals. Finally, the third phase integrates models from the previous stages and employs a Kolmogorov-Arnold Network (KAN) to classify five distinct sleep stages. Additionally, data augmentation techniques, particularly SMOTE, are used in enhancing classification capabilities for underrepresented stages like N1. Our results demonstrate significant improvements in the classification performance, with an overall accuracy of 80.79% an overall kappa of 0.73. The model achieves specific accuracies of 86.70% for Wake, 60.36% for N1, 83.89% for N2, 84.85% for N3, and 87.16% for REM. This study emphasizes the importance of weight initialization and data augmentation in optimizing sleep stage classification with ECG signals.
Abstract:Computational protein design (CPD) offers transformative potential for bioengineering, but current deep CPD models, focused on universal domains, struggle with function-specific designs. This work introduces a novel CPD paradigm tailored for functional design tasks, particularly for enzymes-a key protein class often lacking specific application efficiency. To address structural data scarcity, we present CrossDesign, a domain-adaptive framework that leverages pretrained protein language models (PPLMs). By aligning protein structures with sequences, CrossDesign transfers pretrained knowledge to structure models, overcoming the limitations of limited structural data. The framework combines autoregressive (AR) and non-autoregressive (NAR) states in its encoder-decoder architecture, applying it to enzyme datasets and pan-proteins. Experimental results highlight CrossDesign's superior performance and robustness, especially with out-of-domain enzymes. Additionally, the model excels in fitness prediction when tested on large-scale mutation data, showcasing its stability.
Abstract:Diffusion models have significant impact on wide range of generative tasks, especially on image inpainting and restoration. Although the improvements on aiming for decreasing number of function evaluations (NFE), the iterative results are still computationally expensive. Consistency models are as a new family of generative models, enable single-step sampling of high quality data without the need for adversarial training. In this paper, we introduce the beta noise distribution, which provides flexibility in adjusting noise levels. This is combined with a sinusoidal curriculum that enhances the learning of the trajectory between the noise distribution and the posterior distribution of interest, allowing High Noise Improved Consistency Training (HN-iCT) to be trained in a supervised fashion. Additionally, High Noise Improved Consistency Training with Image Condition (HN-iCT-CN) architecture is introduced, enables to take Low Dose images as a condition for extracting significant features by Weighted Attention Gates (WAG).Our results indicate that unconditional image generation using HN-iCT significantly outperforms basic CT and iCT training techniques with NFE=1 on the CIFAR10 and CelebA datasets. Moreover, our image-conditioned model demonstrates exceptional performance in enhancing low-dose (LD) CT scans.
Abstract:Inverse problems arise in many applications, especially tomographic imaging. We develop a Learned Alternating Minimization Algorithm (LAMA) to solve such problems via two-block optimization by synergizing data-driven and classical techniques with proven convergence. LAMA is naturally induced by a variational model with learnable regularizers in both data and image domains, parameterized as composite functions of neural networks trained with domain-specific data. We allow these regularizers to be nonconvex and nonsmooth to extract features from data effectively. We minimize the overall objective function using Nesterov's smoothing technique and residual learning architecture. It is demonstrated that LAMA reduces network complexity, improves memory efficiency, and enhances reconstruction accuracy, stability, and interpretability. Extensive experiments show that LAMA significantly outperforms state-of-the-art methods on popular benchmark datasets for Computed Tomography.
Abstract:Structured radiology reporting is advantageous for optimizing clinical workflows and patient outcomes. Current LLMs in creating structured reports face the challenges of formatting errors, content hallucinations, and privacy leakage concerns when uploaded to external servers. We aim to develop an enhanced open-source LLM for creating structured and standardized LCS reports from free-text descriptions. After institutional IRB approvals, 5,442 de-identified LCS reports from two institutions were retrospectively analyzed. 500 reports were randomly selected from the two institutions evenly and then manually labeled for evaluation. Two radiologists from the two institutions developed a standardized template including 29 features for lung nodule reporting. We proposed template-constrained decoding to enhance state-of-the-art open-source LLMs, including LLAMA, Qwen, and Mistral. The LLM performance was extensively evaluated in terms of F1 score, confidence interval, McNemar test, and z-test. Based on the structured reports created from the large-scale dataset, a nodule-level retrieval system was prototyped and an automatic statistical analysis was performed. Our software, vLLM-structure, is publicly available for local deployment with enhanced LLMs. Our template-constrained decoding approach consistently enhanced the LLM performance on multi-institutional datasets, with neither formatting errors nor content hallucinations. Our method improved the best open-source LLAMA-3.1 405B by up to 10.42%, and outperformed GPT-4o by 17.19%. A novel nodule retrieval system was successfully prototyped and demonstrated on a large-scale multimodal database using our enhanced LLM technologies. The automatically derived statistical distributions were closely consistent with the prior findings in terms of nodule type, location, size, status, and Lung-RADS.
Abstract:Rb-82 is a radioactive isotope widely used for cardiac PET imaging. Despite numerous benefits of 82-Rb, there are several factors that limits its image quality and quantitative accuracy. First, the short half-life of 82-Rb results in noisy dynamic frames. Low signal-to-noise ratio would result in inaccurate and biased image quantification. Noisy dynamic frames also lead to highly noisy parametric images. The noise levels also vary substantially in different dynamic frames due to radiotracer decay and short half-life. Existing denoising methods are not applicable for this task due to the lack of paired training inputs/labels and inability to generalize across varying noise levels. Second, 82-Rb emits high-energy positrons. Compared with other tracers such as 18-F, 82-Rb travels a longer distance before annihilation, which negatively affect image spatial resolution. Here, the goal of this study is to propose a self-supervised method for simultaneous (1) noise-aware dynamic image denoising and (2) positron range correction for 82-Rb cardiac PET imaging. Tested on a series of PET scans from a cohort of normal volunteers, the proposed method produced images with superior visual quality. To demonstrate the improvement in image quantification, we compared image-derived input functions (IDIFs) with arterial input functions (AIFs) from continuous arterial blood samples. The IDIF derived from the proposed method led to lower AUC differences, decreasing from 11.09% to 7.58% on average, compared to the original dynamic frames. The proposed method also improved the quantification of myocardium blood flow (MBF), as validated against 15-O-water scans, with mean MBF differences decreased from 0.43 to 0.09, compared to the original dynamic frames. We also conducted a generalizability experiment on 37 patient scans obtained from a different country using a different scanner.
Abstract:Medical imaging applications are highly specialized in terms of human anatomy, pathology, and imaging domains. Therefore, annotated training datasets for training deep learning applications in medical imaging not only need to be highly accurate but also diverse and large enough to encompass almost all plausible examples with respect to those specifications. We argue that achieving this goal can be facilitated through a controlled generation framework for synthetic images with annotations, requiring multiple conditional specifications as input to provide control. We employ a Denoising Diffusion Probabilistic Model (DDPM) to train a large-scale generative model in the lung CT domain and expand upon a classifier-free sampling strategy to showcase one such generation framework. We show that our approach can produce annotated lung CT images that can faithfully represent anatomy, convincingly fooling experts into perceiving them as real. Our experiments demonstrate that controlled generative frameworks of this nature can surpass nearly every state-of-the-art image generative model in achieving anatomical consistency in generated medical images when trained on comparable large medical datasets.
Abstract:The rapid growth of large models' size has far outpaced that of GPU memory. To bridge this gap, inspired by the succinct relationship between genotype and phenotype, we turn the model compression problem into the issue of parameter representation to propose the so-called hyper-compression. The hyper-compression uses a hyperfunction to represent the parameters of the target network, and notably, here the hyperfunction is designed per ergodic theory that relates to a problem: if a low-dimensional dynamic system can fill the high-dimensional space eventually. Empirically, the proposed hyper-compression enjoys the following merits: 1) \textbf{P}referable compression ratio; 2) \textbf{N}o post-hoc retraining; 3) \textbf{A}ffordable inference time; and 4) \textbf{S}hort compression time. It compresses LLaMA2-7B in an hour and achieves close-to-int4-quantization performance, without retraining and with a performance drop of less than 1\%. Our work has the potential to invigorate the field of model compression, towards a harmony between the scaling law and the stagnation of hardware upgradation.
Abstract:The extraction of Metal-Organic Frameworks (MOFs) synthesis conditions from literature text has been challenging but crucial for the logical design of new MOFs with desirable functionality. The recent advent of large language models (LLMs) provides disruptively new solution to this long-standing problem and latest researches have reported over 90% F1 in extracting correct conditions from MOFs literature. We argue in this paper that most existing synthesis extraction practices with LLMs stay with the primitive zero-shot learning, which could lead to downgraded extraction and application performance due to the lack of specialized knowledge. This work pioneers and optimizes the few-shot in-context learning paradigm for LLM extraction of material synthesis conditions. First, we propose a human-AI joint data curation process to secure high-quality ground-truth demonstrations for few-shot learning. Second, we apply a BM25 algorithm based on the retrieval-augmented generation (RAG) technique to adaptively select few-shot demonstrations for each MOF's extraction. Over a dataset randomly sampled from 84,898 well-defined MOFs, the proposed few-shot method achieves much higher average F1 performance (0.93 vs. 0.81, +14.8%) than the native zero-shot LLM using the same GPT-4 model, under fully automatic evaluation that are more objective than the previous human evaluation. The proposed method is further validated through real-world material experiments: compared with the baseline zero-shot LLM, the proposed few-shot approach increases the MOFs structural inference performance (R^2) by 29.4% in average.