Daily Papers

Chest X-Ray (CXR) report generation is a promising approach to improving the efficiency of CXR interpretation. However, a significant increase in diagnostic accuracy is required before that can be realised. Motivated by this, we propose a framework that is more inline with a radiologist's workflow by considering longitudinal data. Here, the decoder is additionally conditioned on the report from the subject's previous imaging study via a prompt. We also propose a new reward for reinforcement learning based on CXR-BERT, which computes the similarity between reports. We conduct experiments on the MIMIC-CXR dataset. The results indicate that longitudinal data improves CXR report generation. CXR-BERT is also shown to be a promising alternative to the current state-of-the-art reward based on RadGraph. This investigation indicates that longitudinal CXR report generation can offer a substantial increase in diagnostic accuracy. Our Hugging Face model is available at: https://huggingface.co/aehrc/cxrmate and code is available at: https://github.com/aehrc/cxrmate.

This paper proposes one of the first clinical applications of multimodal large language models (LLMs) as an assistant for radiologists to check errors in their reports. We created an evaluation dataset from two real-world radiology datasets (MIMIC-CXR and IU-Xray), with 1,000 subsampled reports each. A subset of original reports was modified to contain synthetic errors by introducing various type of mistakes. The evaluation contained two difficulty levels: SIMPLE for binary error-checking and COMPLEX for identifying error types. LLaVA (Large Language and Visual Assistant) variant models, including our instruction-tuned model, were used for the evaluation. Additionally, a domain expert evaluation was conducted on a small test set. At the SIMPLE level, the LLaVA v1.5 model outperformed other publicly available models. Instruction tuning significantly enhanced performance by 47.4% and 25.4% on MIMIC-CXR and IU-Xray data, respectively. The model also surpassed the domain experts accuracy in the MIMIC-CXR dataset by 1.67%. Notably, among the subsets (N=21) of the test set where a clinician did not achieve the correct conclusion, the LLaVA ensemble mode correctly identified 71.4% of these cases. This study marks a promising step toward utilizing multi-modal LLMs to enhance diagnostic accuracy in radiology. The ensemble model demonstrated comparable performance to clinicians, even capturing errors overlooked by humans. Nevertheless, future work is needed to improve the model ability to identify the types of inconsistency.

This paper presents a comprehensive evaluation of GPT-4V's capabilities across diverse medical imaging tasks, including Radiology Report Generation, Medical Visual Question Answering (VQA), and Visual Grounding. While prior efforts have explored GPT-4V's performance in medical image analysis, to the best of our knowledge, our study represents the first quantitative evaluation on publicly available benchmarks. Our findings highlight GPT-4V's potential in generating descriptive reports for chest X-ray images, particularly when guided by well-structured prompts. Meanwhile, its performance on the MIMIC-CXR dataset benchmark reveals areas for improvement in certain evaluation metrics, such as CIDEr. In the domain of Medical VQA, GPT-4V demonstrates proficiency in distinguishing between question types but falls short of the VQA-RAD benchmark in terms of accuracy. Furthermore, our analysis finds the limitations of conventional evaluation metrics like the BLEU scores, advocating for the development of more semantically robust assessment methods. In the field of Visual Grounding, GPT-4V exhibits preliminary promise in recognizing bounding boxes, but its precision is lacking, especially in identifying specific medical organs and signs. Our evaluation underscores the significant potential of GPT-4V in the medical imaging domain, while also emphasizing the need for targeted refinements to fully unlock its capabilities.

Extracting structured clinical information from free-text radiology reports can enable the use of radiology report information for a variety of critical healthcare applications. In our work, we present RadGraph, a dataset of entities and relations in full-text chest X-ray radiology reports based on a novel information extraction schema we designed to structure radiology reports. We release a development dataset, which contains board-certified radiologist annotations for 500 radiology reports from the MIMIC-CXR dataset (14,579 entities and 10,889 relations), and a test dataset, which contains two independent sets of board-certified radiologist annotations for 100 radiology reports split equally across the MIMIC-CXR and CheXpert datasets. Using these datasets, we train and test a deep learning model, RadGraph Benchmark, that achieves a micro F1 of 0.82 and 0.73 on relation extraction on the MIMIC-CXR and CheXpert test sets respectively. Additionally, we release an inference dataset, which contains annotations automatically generated by RadGraph Benchmark across 220,763 MIMIC-CXR reports (around 6 million entities and 4 million relations) and 500 CheXpert reports (13,783 entities and 9,908 relations) with mappings to associated chest radiographs. Our freely available dataset can facilitate a wide range of research in medical natural language processing, as well as computer vision and multi-modal learning when linked to chest radiographs.

Generative models, particularly text-to-image (T2I) diffusion models, play a crucial role in medical image analysis. However, these models are prone to training data memorization, posing significant risks to patient privacy. Synthetic chest X-ray generation is one of the most common applications in medical image analysis with the MIMIC-CXR dataset serving as the primary data repository for this task. This study adopts a data-driven approach and presents the first systematic attempt to identify prompts and text tokens in MIMIC-CXR that contribute the most to training data memorization. Our analysis reveals an unexpected finding: prompts containing traces of de-identification procedures are among the most memorized, with de-identification markers contributing the most. Furthermore, we also find existing inference-time memorization mitigation strategies are ineffective and fail to sufficiently reduce the model's reliance on memorized text tokens highlighting a broader issue in T2I synthesis with MIMIC-CXR. On this front, we propose actionable strategies to enhance privacy and improve the reliability of generative models in medical imaging. Finally, our results provide a foundation for future work on developing and benchmarking memorization mitigation techniques for synthetic chest X-ray generation using the MIMIC-CXR dataset.

Our approach, which we call Embeddings for Language/Image-aligned X-Rays, or ELIXR, leverages a language-aligned image encoder combined or grafted onto a fixed LLM, PaLM 2, to perform a broad range of tasks. We train this lightweight adapter architecture using images paired with corresponding free-text radiology reports from the MIMIC-CXR dataset. ELIXR achieved state-of-the-art performance on zero-shot chest X-ray (CXR) classification (mean AUC of 0.850 across 13 findings), data-efficient CXR classification (mean AUCs of 0.893 and 0.898 across five findings (atelectasis, cardiomegaly, consolidation, pleural effusion, and pulmonary edema) for 1% (~2,200 images) and 10% (~22,000 images) training data), and semantic search (0.76 normalized discounted cumulative gain (NDCG) across nineteen queries, including perfect retrieval on twelve of them). Compared to existing data-efficient methods including supervised contrastive learning (SupCon), ELIXR required two orders of magnitude less data to reach similar performance. ELIXR also showed promise on CXR vision-language tasks, demonstrating overall accuracies of 58.7% and 62.5% on visual question answering and report quality assurance tasks, respectively. These results suggest that ELIXR is a robust and versatile approach to CXR AI.

Despite significant progress in applying large language models (LLMs) to the medical domain, several limitations still prevent them from practical applications. Among these are the constraints on model size and the lack of cohort-specific labeled datasets. In this work, we investigated the potential of improving a lightweight LLM, such as Llama 3.1-8B, through fine-tuning with datasets using synthetic labels. Two tasks are jointly trained by combining their respective instruction datasets. When the quality of the task-specific synthetic labels is relatively high (e.g., generated by GPT4- o), Llama 3.1-8B achieves satisfactory performance on the open-ended disease detection task, with a micro F1 score of 0.91. Conversely, when the quality of the task-relevant synthetic labels is relatively low (e.g., from the MIMIC-CXR dataset), fine-tuned Llama 3.1-8B is able to surpass its noisy teacher labels (micro F1 score of 0.67 v.s. 0.63) when calibrated against curated labels, indicating the strong inherent underlying capability of the model. These findings demonstrate the potential of fine-tuning LLMs with synthetic labels, offering a promising direction for future research on LLM specialization in the medical domain.

Synthetic medical data generation has opened up new possibilities in the healthcare domain, offering a powerful tool for simulating clinical scenarios, enhancing diagnostic and treatment quality, gaining granular medical knowledge, and accelerating the development of unbiased algorithms. In this context, we present a novel approach called ViewXGen, designed to overcome the limitations of existing methods that rely on general domain pipelines using only radiology reports to generate frontal-view chest X-rays. Our approach takes into consideration the diverse view positions found in the dataset, enabling the generation of chest X-rays with specific views, which marks a significant advancement in the field. To achieve this, we introduce a set of specially designed tokens for each view position, tailoring the generation process to the user's preferences. Furthermore, we leverage multi-view chest X-rays as input, incorporating valuable information from different views within the same study. This integration rectifies potential errors and contributes to faithfully capturing abnormal findings in chest X-ray generation. To validate the effectiveness of our approach, we conducted statistical analyses, evaluating its performance in a clinical efficacy metric on the MIMIC-CXR dataset. Also, human evaluation demonstrates the remarkable capabilities of ViewXGen, particularly in producing realistic view-specific X-rays that closely resemble the original images.

Electronic Health Records (EHRs), which contain patients' medical histories in various multi-modal formats, often overlook the potential for joint reasoning across imaging and table modalities underexplored in current EHR Question Answering (QA) systems. In this paper, we introduce EHRXQA, a novel multi-modal question answering dataset combining structured EHRs and chest X-ray images. To develop our dataset, we first construct two uni-modal resources: 1) The MIMIC- CXR-VQA dataset, our newly created medical visual question answering (VQA) benchmark, specifically designed to augment the imaging modality in EHR QA, and 2) EHRSQL (MIMIC-IV), a refashioned version of a previously established table-based EHR QA dataset. By integrating these two uni-modal resources, we successfully construct a multi-modal EHR QA dataset that necessitates both uni-modal and cross-modal reasoning. To address the unique challenges of multi-modal questions within EHRs, we propose a NeuralSQL-based strategy equipped with an external VQA API. This pioneering endeavor enhances engagement with multi-modal EHR sources and we believe that our dataset can catalyze advances in real-world medical scenarios such as clinical decision-making and research. EHRXQA is available at https://github.com/baeseongsu/ehrxqa.

Automatic radiology report generation has attracted enormous research interest due to its practical value in reducing the workload of radiologists. However, simultaneously establishing global correspondences between the image (e.g., Chest X-ray) and its related report and local alignments between image patches and keywords remains challenging. To this end, we propose an Unify, Align and then Refine (UAR) approach to learn multi-level cross-modal alignments and introduce three novel modules: Latent Space Unifier (LSU), Cross-modal Representation Aligner (CRA) and Text-to-Image Refiner (TIR). Specifically, LSU unifies multimodal data into discrete tokens, making it flexible to learn common knowledge among modalities with a shared network. The modality-agnostic CRA learns discriminative features via a set of orthonormal basis and a dual-gate mechanism first and then globally aligns visual and textual representations under a triplet contrastive loss. TIR boosts token-level local alignment via calibrating text-to-image attention with a learnable mask. Additionally, we design a two-stage training procedure to make UAR gradually grasp cross-modal alignments at different levels, which imitates radiologists' workflow: writing sentence by sentence first and then checking word by word. Extensive experiments and analyses on IU-Xray and MIMIC-CXR benchmark datasets demonstrate the superiority of our UAR against varied state-of-the-art methods.

Chest radiography is an extremely powerful imaging modality, allowing for a detailed inspection of a patient's thorax, but requiring specialized training for proper interpretation. With the advent of high performance general purpose computer vision algorithms, the accurate automated analysis of chest radiographs is becoming increasingly of interest to researchers. However, a key challenge in the development of these techniques is the lack of sufficient data. Here we describe MIMIC-CXR-JPG v2.0.0, a large dataset of 377,110 chest x-rays associated with 227,827 imaging studies sourced from the Beth Israel Deaconess Medical Center between 2011 - 2016. Images are provided with 14 labels derived from two natural language processing tools applied to the corresponding free-text radiology reports. MIMIC-CXR-JPG is derived entirely from the MIMIC-CXR database, and aims to provide a convenient processed version of MIMIC-CXR, as well as to provide a standard reference for data splits and image labels. All images have been de-identified to protect patient privacy. The dataset is made freely available to facilitate and encourage a wide range of research in medical computer vision.

The development of successful artificial intelligence models for chest X-ray analysis relies on large, diverse datasets with high-quality annotations. While several databases of chest X-ray images have been released, most include disease diagnosis labels but lack detailed pixel-level anatomical segmentation labels. To address this gap, we introduce an extensive chest X-ray multi-center segmentation dataset with uniform and fine-grain anatomical annotations for images coming from six well-known publicly available databases: CANDID-PTX, ChestX-ray8, Chexpert, MIMIC-CXR-JPG, Padchest, and VinDr-CXR, resulting in 676,803 segmentation masks. Our methodology utilizes the HybridGNet model to ensure consistent and high-quality segmentations across all datasets. Rigorous validation, including expert physician evaluation and automatic quality control, was conducted to validate the resulting masks. Additionally, we provide individualized quality indices per mask and an overall quality estimation per dataset. This dataset serves as a valuable resource for the broader scientific community, streamlining the development and assessment of innovative methodologies in chest X-ray analysis. The CheXmask dataset is publicly available at: https://physionet.org/content/chexmask-cxr-segmentation-data/.

Radiology report generation (RRG) has attracted significant attention due to its potential to reduce the workload of radiologists. Current RRG approaches are still unsatisfactory against clinical standards. This paper introduces a novel RRG method, LM-RRG, that integrates large models (LMs) with clinical quality reinforcement learning to generate accurate and comprehensive chest X-ray radiology reports. Our method first designs a large language model driven feature extractor to analyze and interpret different regions of the chest X-ray image, emphasizing specific regions with medical significance. Next, based on the large model's decoder, we develop a multimodal report generator that leverages multimodal prompts from visual features and textual instruction to produce the radiology report in an auto-regressive way. Finally, to better reflect the clinical significant and insignificant errors that radiologists would normally assign in the report, we introduce a novel clinical quality reinforcement learning strategy. It utilizes the radiology report clinical quality (RadCliQ) metric as a reward function in the learning process. Extensive experiments on the MIMIC-CXR and IU-Xray datasets demonstrate the superiority of our method over the state of the art.

This study investigates the integration of diverse patient data sources into multimodal language models for automated chest X-ray (CXR) report generation. Traditionally, CXR report generation relies solely on CXR images and limited radiology data, overlooking valuable information from patient health records, particularly from emergency departments. Utilising the MIMIC-CXR and MIMIC-IV-ED datasets, we incorporate detailed patient information such as aperiodic vital signs, medications, and clinical history to enhance diagnostic accuracy. We introduce a novel approach to transform these heterogeneous data sources into embeddings that prompt a multimodal language model, significantly enhancing the diagnostic accuracy of generated radiology reports. Our comprehensive evaluation demonstrates the benefits of using a broader set of patient data, underscoring the potential for enhanced diagnostic capabilities and better patient outcomes through the integration of multimodal data in CXR report generation.

Automatic radiology report generation is booming due to its huge application potential for the healthcare industry. However, existing computer vision and natural language processing approaches to tackle this problem are limited in two aspects. First, when extracting image features, most of them neglect multi-view reasoning in vision and model single-view structure of medical images, such as space-view or channel-view. However, clinicians rely on multi-view imaging information for comprehensive judgment in daily clinical diagnosis. Second, when generating reports, they overlook context reasoning with multi-modal information and focus on pure textual optimization utilizing retrieval-based methods. We aim to address these two issues by proposing a model that better simulates clinicians' perspectives and generates more accurate reports. Given the above limitation in feature extraction, we propose a Globally-intensive Attention (GIA) module in the medical image encoder to simulate and integrate multi-view vision perception. GIA aims to learn three types of vision perception: depth view, space view, and pixel view. On the other hand, to address the above problem in report generation, we explore how to involve multi-modal signals to generate precisely matched reports, i.e., how to integrate previously predicted words with region-aware visual content in next word prediction. Specifically, we design a Visual Knowledge-guided Decoder (VKGD), which can adaptively consider how much the model needs to rely on visual information and previously predicted text to assist next word prediction. Hence, our final Intensive Vision-guided Network (IVGN) framework includes a GIA-guided Visual Encoder and the VKGD. Experiments on two commonly-used datasets IU X-Ray and MIMIC-CXR demonstrate the superior ability of our method compared with other state-of-the-art approaches.

Chest X-rays (CXR) are the most common medical imaging study and are used to diagnose multiple medical conditions. This study examines the impact of synthetic data supplementation, using diffusion models, on the performance of deep learning (DL) classifiers for CXR analysis. We employed three datasets: CheXpert, MIMIC-CXR, and Emory Chest X-ray, training conditional denoising diffusion probabilistic models (DDPMs) to generate synthetic frontal radiographs. Our approach ensured that synthetic images mirrored the demographic and pathological traits of the original data. Evaluating the classifiers' performance on internal and external datasets revealed that synthetic data supplementation enhances model accuracy, particularly in detecting less prevalent pathologies. Furthermore, models trained on synthetic data alone approached the performance of those trained on real data. This suggests that synthetic data can potentially compensate for real data shortages in training robust DL models. However, despite promising outcomes, the superiority of real data persists.

Contrastive pretraining on parallel image-text data has attained great success in vision-language processing (VLP), as exemplified by CLIP and related methods. However, prior explorations tend to focus on general domains in the web. Biomedical images and text are rather different, but publicly available datasets are small and skew toward chest X-ray, thus severely limiting progress. In this paper, we conducted by far the largest study on biomedical VLP, using 15 million figure-caption pairs extracted from biomedical research articles in PubMed Central. Our dataset (PMC-15M) is two orders of magnitude larger than existing biomedical image-text datasets such as MIMIC-CXR, and spans a diverse range of biomedical images. The standard CLIP method is suboptimal for the biomedical domain. We propose BiomedCLIP with domain-specific adaptations tailored to biomedical VLP. We conducted extensive experiments and ablation studies on standard biomedical imaging tasks from retrieval to classification to visual question-answering (VQA). BiomedCLIP established new state of the art in a wide range of standard datasets, substantially outperformed prior VLP approaches. Surprisingly, BiomedCLIP even outperformed radiology-specific state-of-the-art models such as BioViL on radiology-specific tasks such as RSNA pneumonia detection, thus highlighting the utility in large-scale pretraining across all biomedical image types. We will release our models at https://aka.ms/biomedclip to facilitate future research in biomedical VLP.

Radiology reports are crucial for planning treatment strategies and enhancing doctor-patient communication, yet manually writing these reports is burdensome for radiologists. While automatic report generation offers a solution, existing methods often rely on single-view radiographs, limiting diagnostic accuracy. To address this problem, we propose MCL, a Multi-view enhanced Contrastive Learning method for chest X-ray report generation. Specifically, we first introduce multi-view enhanced contrastive learning for visual representation by maximizing agreements between multi-view radiographs and their corresponding report. Subsequently, to fully exploit patient-specific indications (e.g., patient's symptoms) for report generation, we add a transitional ``bridge" for missing indications to reduce embedding space discrepancies caused by their presence or absence. Additionally, we construct Multi-view CXR and Two-view CXR datasets from public sources to support research on multi-view report generation. Our proposed MCL surpasses recent state-of-the-art methods across multiple datasets, achieving a 5.0% F1 RadGraph improvement on MIMIC-CXR, a 7.3% BLEU-1 improvement on MIMIC-ABN, a 3.1% BLEU-4 improvement on Multi-view CXR, and an 8.2% F1 CheXbert improvement on Two-view CXR.

Despite the success of Large Language Models (LLMs) in general image tasks, a gap persists in the medical field for a multimodal large model adept at handling the nuanced diversity of medical images. Addressing this, we propose MedXChat, a unified multimodal large model designed for seamless interactions between medical assistants and users. MedXChat encompasses three key functionalities: CXR(Chest X-ray)-to-Report generation, CXR-based visual question-answering (VQA), and Text-to-CXR synthesis. Our contributions are as follows. Firstly, our model showcases exceptional cross-task adaptability, displaying adeptness across all three defined tasks and outperforming the benchmark models on the MIMIC dataset in medical multimodal applications. Secondly, we introduce an innovative Text-to-CXR synthesis approach that utilizes instruction-following capabilities within the Stable Diffusion (SD) architecture. This technique integrates smoothly with the existing model framework, requiring no extra parameters, thereby maintaining the SD's generative strength while also bestowing upon it the capacity to render fine-grained medical images with high fidelity. Comprehensive experiments validate MedXChat's synergistic enhancement across all tasks. Our instruction data and model will be open-sourced.

The automated generation of imaging reports proves invaluable in alleviating the workload of radiologists. A clinically applicable reports generation algorithm should demonstrate its effectiveness in producing reports that accurately describe radiology findings and attend to patient-specific indications. In this paper, we introduce a novel method, Structural Entities extraction and patient indications Incorporation (SEI) for chest X-ray report generation. Specifically, we employ a structural entities extraction (SEE) approach to eliminate presentation-style vocabulary in reports and improve the quality of factual entity sequences. This reduces the noise in the following cross-modal alignment module by aligning X-ray images with factual entity sequences in reports, thereby enhancing the precision of cross-modal alignment and further aiding the model in gradient-free retrieval of similar historical cases. Subsequently, we propose a cross-modal fusion network to integrate information from X-ray images, similar historical cases, and patient-specific indications. This process allows the text decoder to attend to discriminative features of X-ray images, assimilate historical diagnostic information from similar cases, and understand the examination intention of patients. This, in turn, assists in triggering the text decoder to produce high-quality reports. Experiments conducted on MIMIC-CXR validate the superiority of SEI over state-of-the-art approaches on both natural language generation and clinical efficacy metrics.

Chest X-rays (CXRs) are the most frequently performed imaging test in clinical practice. Recent advances in the development of vision-language foundation models (FMs) give rise to the possibility of performing automated CXR interpretation, which can assist physicians with clinical decision-making and improve patient outcomes. However, developing FMs that can accurately interpret CXRs is challenging due to the (1) limited availability of large-scale vision-language datasets in the medical image domain, (2) lack of vision and language encoders that can capture the complexities of medical data, and (3) absence of evaluation frameworks for benchmarking the abilities of FMs on CXR interpretation. In this work, we address these challenges by first introducing CheXinstruct - a large-scale instruction-tuning dataset curated from 28 publicly-available datasets. We then present CheXagent - an instruction-tuned FM capable of analyzing and summarizing CXRs. To build CheXagent, we design a clinical large language model (LLM) for parsing radiology reports, a vision encoder for representing CXR images, and a network to bridge the vision and language modalities. Finally, we introduce CheXbench - a novel benchmark designed to systematically evaluate FMs across 8 clinically-relevant CXR interpretation tasks. Extensive quantitative evaluations and qualitative reviews with five expert radiologists demonstrate that CheXagent outperforms previously-developed general- and medical-domain FMs on CheXbench tasks. Furthermore, in an effort to improve model transparency, we perform a fairness evaluation across factors of sex, race and age to highlight potential performance disparities. Our project is at https://stanford-aimi.github.io/chexagent.html.

Multimodal models trained on large natural image-text pair datasets have exhibited astounding abilities in generating high-quality images. Medical imaging data is fundamentally different to natural images, and the language used to succinctly capture relevant details in medical data uses a different, narrow but semantically rich, domain-specific vocabulary. Not surprisingly, multi-modal models trained on natural image-text pairs do not tend to generalize well to the medical domain. Developing generative imaging models faithfully representing medical concepts while providing compositional diversity could mitigate the existing paucity of high-quality, annotated medical imaging datasets. In this work, we develop a strategy to overcome the large natural-medical distributional shift by adapting a pre-trained latent diffusion model on a corpus of publicly available chest x-rays (CXR) and their corresponding radiology (text) reports. We investigate the model's ability to generate high-fidelity, diverse synthetic CXR conditioned on text prompts. We assess the model outputs quantitatively using image quality metrics, and evaluate image quality and text-image alignment by human domain experts. We present evidence that the resulting model (RoentGen) is able to create visually convincing, diverse synthetic CXR images, and that the output can be controlled to a new extent by using free-form text prompts including radiology-specific language. Fine-tuning this model on a fixed training set and using it as a data augmentation method, we measure a 5% improvement of a classifier trained jointly on synthetic and real images, and a 3% improvement when trained on a larger but purely synthetic training set. Finally, we observe that this fine-tuning distills in-domain knowledge in the text-encoder and can improve its representation capabilities of certain diseases like pneumothorax by 25%.

We present a radiology-specific multimodal model for the task for generating radiological reports from chest X-rays (CXRs). Our work builds on the idea that large language model(s) can be equipped with multimodal capabilities through alignment with pre-trained vision encoders. On natural images, this has been shown to allow multimodal models to gain image understanding and description capabilities. Our proposed model (MAIRA-1) leverages a CXR-specific image encoder in conjunction with a fine-tuned large language model based on Vicuna-7B, and text-based data augmentation, to produce reports with state-of-the-art quality. In particular, MAIRA-1 significantly improves on the radiologist-aligned RadCliQ metric and across all lexical metrics considered. Manual review of model outputs demonstrates promising fluency and accuracy of generated reports while uncovering failure modes not captured by existing evaluation practices. More information and resources can be found on the project website: https://aka.ms/maira.

Purpose: Recent advancements in large language models (LLMs) have expanded their capabilities in a multimodal fashion, potentially replicating the image interpretation of human radiologists. This study aimed to develop open-source multimodal large language model for interpreting chest X-ray images (CXR-LLaVA). We also examined the effect of prompt engineering and model parameters such as temperature and nucleus sampling. Materials and Methods: For training, we collected 659,287 publicly available CXRs: 417,336 CXRs had labels for certain radiographic abnormalities (dataset 1); 241,951 CXRs provided free-text radiology reports (dataset 2). After pre-training the Resnet50 as an image encoder, the contrastive language-image pre-training was used to align CXRs and corresponding radiographic abnormalities. Then, the Large Language Model Meta AI-2 was fine-tuned using dataset 2, which were refined using GPT-4, with generating various question answering scenarios. The code can be found at https://github.com/ECOFRI/CXR_LLaVA. Results: In the test set, we observed that the model's performance fluctuated based on its parameters. On average, it achieved F1 score of 0.34 for five pathologic findings (atelectasis, cardiomegaly, consolidation, edema, and pleural effusion), which was improved to 0.46 through prompt engineering. In the independent set, the model achieved an average F1 score of 0.30 for the same pathologic findings. Notably, for the pediatric chest radiograph dataset, which was unseen during training, the model differentiated abnormal radiographs with an F1 score ranging from 0.84 to 0.85. Conclusion: CXR-LLaVA demonstrates promising potential in CXR interpretation. Both prompt engineering and model parameter adjustments can play pivotal roles in interpreting CXRs.

Many pixelwise dense prediction tasks-depth estimation and semantic segmentation in computer vision today rely on pretrained image representations. Therefore, curating effective pretraining datasets is vital. Unfortunately, the effective pretraining datasets are those with multi-view scenes and have only been curated using annotated 3D meshes, point clouds, and camera parameters from simulated environments. We propose a dataset-curation mechanism that does not require any annotations. We mine two datasets: MIMIC-1M with 1.3M and MIMIC-3M with 3.1M multi-view image pairs from open-sourced video datasets and from synthetic 3D environments. We train multiple self-supervised models with different masked image modeling objectives to showcase the following findings: Representations trained on MIMIC-3M outperform those mined using annotations on multiple downstream tasks, including depth estimation, semantic segmentation, surface normals, and pose estimation. They also outperform representations that are frozen and when downstream training data is limited to few-shot. Larger dataset (MIMIC-3M) significantly improves performance, which is promising since our curation method can arbitrarily scale to produce even larger datasets. MIMIC code, dataset, and pretrained models are open-sourced at https://github.com/RAIVNLab/MIMIC.

Deep learning methods have shown outstanding classification accuracy in medical imaging problems, which is largely attributed to the availability of large-scale datasets manually annotated with clean labels. However, given the high cost of such manual annotation, new medical imaging classification problems may need to rely on machine-generated noisy labels extracted from radiology reports. Indeed, many Chest X-ray (CXR) classifiers have already been modelled from datasets with noisy labels, but their training procedure is in general not robust to noisy-label samples, leading to sub-optimal models. Furthermore, CXR datasets are mostly multi-label, so current noisy-label learning methods designed for multi-class problems cannot be easily adapted. In this paper, we propose a new method designed for the noisy multi-label CXR learning, which detects and smoothly re-labels samples from the dataset, which is then used to train common multi-label classifiers. The proposed method optimises a bag of multi-label descriptors (BoMD) to promote their similarity with the semantic descriptors produced by BERT models from the multi-label image annotation. Our experiments on diverse noisy multi-label training sets and clean testing sets show that our model has state-of-the-art accuracy and robustness in many CXR multi-label classification benchmarks.

The rapid evolution of artificial intelligence, especially in large language models (LLMs), has significantly impacted various domains, including healthcare. In chest X-ray (CXR) analysis, previous studies have employed LLMs, but with limitations: either underutilizing the multi-tasking capabilities of LLMs or lacking clinical accuracy. This paper presents M4CXR, a multi-modal LLM designed to enhance CXR interpretation. The model is trained on a visual instruction-following dataset that integrates various task-specific datasets in a conversational format. As a result, the model supports multiple tasks such as medical report generation (MRG), visual grounding, and visual question answering (VQA). M4CXR achieves state-of-the-art clinical accuracy in MRG by employing a chain-of-thought prompting strategy, in which it identifies findings in CXR images and subsequently generates corresponding reports. The model is adaptable to various MRG scenarios depending on the available inputs, such as single-image, multi-image, and multi-study contexts. In addition to MRG, M4CXR performs visual grounding at a level comparable to specialized models and also demonstrates outstanding performance in VQA. Both quantitative and qualitative assessments reveal M4CXR's versatility in MRG, visual grounding, and VQA, while consistently maintaining clinical accuracy.

High-throughput screening techniques are commonly used to obtain large quantities of data in many fields of biology. It is well known that artifacts arising from variability in the technical execution of different experimental batches within such screens confound these observations and can lead to invalid biological conclusions. It is therefore necessary to account for these batch effects when analyzing outcomes. In this paper we describe RxRx1, a biological dataset designed specifically for the systematic study of batch effect correction methods. The dataset consists of 125,510 high-resolution fluorescence microscopy images of human cells under 1,138 genetic perturbations in 51 experimental batches across 4 cell types. Visual inspection of the images alone clearly demonstrates significant batch effects. We propose a classification task designed to evaluate the effectiveness of experimental batch correction methods on these images and examine the performance of a number of correction methods on this task. Our goal in releasing RxRx1 is to encourage the development of effective experimental batch correction methods that generalize well to unseen experimental batches. The dataset can be downloaded at https://rxrx.ai.

Automated multi-label chest X-rays (CXR) image classification has achieved substantial progress in clinical diagnosis via utilizing sophisticated deep learning approaches. However, most deep models have high computational demands, which makes them less feasible for compact devices with low computational requirements. To overcome this problem, we propose a knowledge distillation (KD) strategy to create the compact deep learning model for the real-time multi-label CXR image classification. We study different alternatives of CNNs and Transforms as the teacher to distill the knowledge to a smaller student. Then, we employed explainable artificial intelligence (XAI) to provide the visual explanation for the model decision improved by the KD. Our results on three benchmark CXR datasets show that our KD strategy provides the improved performance on the compact student model, thus being the feasible choice for many limited hardware platforms. For instance, when using DenseNet161 as the teacher network, EEEA-Net-C2 achieved an AUC of 83.7%, 87.1%, and 88.7% on the ChestX-ray14, CheXpert, and PadChest datasets, respectively, with fewer parameters of 4.7 million and computational cost of 0.3 billion FLOPS.

In this paper, we introduce DRR-RATE, a large-scale synthetic chest X-ray dataset derived from the recently released CT-RATE dataset. DRR-RATE comprises of 50,188 frontal Digitally Reconstructed Radiographs (DRRs) from 21,304 unique patients. Each image is paired with a corresponding radiology text report and binary labels for 18 pathology classes. Given the controllable nature of DRR generation, it facilitates the inclusion of lateral view images and images from any desired viewing position. This opens up avenues for research into new and novel multimodal applications involving paired CT, X-ray images from various views, text, and binary labels. We demonstrate the applicability of DRR-RATE alongside existing large-scale chest X-ray resources, notably the CheXpert dataset and CheXnet model. Experiments demonstrate that CheXnet, when trained and tested on the DRR-RATE dataset, achieves sufficient to high AUC scores for the six common pathologies cited in common literature: Atelectasis, Cardiomegaly, Consolidation, Lung Lesion, Lung Opacity, and Pleural Effusion. Additionally, CheXnet trained on the CheXpert dataset can accurately identify several pathologies, even when operating out of distribution. This confirms that the generated DRR images effectively capture the essential pathology features from CT images. The dataset and labels are publicly accessible at https://huggingface.co/datasets/farrell236/DRR-RATE.

Radiology report generation (RRG) is a challenging task, as it requires a thorough understanding of medical images, integration of multiple temporal inputs, and accurate report generation. Effective interpretation of medical images, such as chest X-rays (CXRs), demands sophisticated visual-language reasoning to map visual findings to structured reports. Recent studies have shown that multimodal large language models (MLLMs) can acquire multimodal capabilities by aligning with pre-trained vision encoders. However, current approaches predominantly focus on single-image analysis or utilise rule-based symbolic processing to handle multiple images, thereby overlooking the essential temporal information derived from comparing current images with prior ones. To overcome this critical limitation, we introduce Libra, a temporal-aware MLLM tailored for CXR report generation using temporal images. Libra integrates a radiology-specific image encoder with a MLLM and utilises a novel Temporal Alignment Connector to capture and synthesise temporal information of images across different time points with unprecedented precision. Extensive experiments show that Libra achieves new state-of-the-art performance among the same parameter scale MLLMs for RRG tasks on the MIMIC-CXR. Specifically, Libra improves the RadCliQ metric by 12.9% and makes substantial gains across all lexical metrics compared to previous models.

Due to the expanding capabilities and pre-training data, Large Language Models (LLMs) are facing increasingly serious evaluation challenges. On one hand, the data leakage issue cause over-estimation on existing benchmarks. On the other hand, periodically curating datasets manually is costly. In this paper, we propose to automate dataset updates for reliable and timely evaluation. The basic idea is to generate unseen and high-quality testing samples based on existing ones to mitigate leakage issues. In specific, we propose two strategies with systematically verification. First, the mimicking strategy employs LLMs to create new samples resembling existing ones, to the maximum extent preserving the stylistic of the original dataset. Our experiments demonstrate its evaluation stability across multiple instantiations and its effectiveness in dealing with data leakage issues in most cases. Second, for the cases that mimicking dataset works poorly, we design an extending strategy that adjusts the difficulty of the generated samples according to varying cognitive levels. This not only makes our evaluation more systematic, but also, with a balanced difficulty, even discern model capabilities better at fine-grained levels.

Medical coding is the task of assigning medical codes to clinical free-text documentation. Healthcare professionals manually assign such codes to track patient diagnoses and treatments. Automated medical coding can considerably alleviate this administrative burden. In this paper, we reproduce, compare, and analyze state-of-the-art automated medical coding machine learning models. We show that several models underperform due to weak configurations, poorly sampled train-test splits, and insufficient evaluation. In previous work, the macro F1 score has been calculated sub-optimally, and our correction doubles it. We contribute a revised model comparison using stratified sampling and identical experimental setups, including hyperparameters and decision boundary tuning. We analyze prediction errors to validate and falsify assumptions of previous works. The analysis confirms that all models struggle with rare codes, while long documents only have a negligible impact. Finally, we present the first comprehensive results on the newly released MIMIC-IV dataset using the reproduced models. We release our code, model parameters, and new MIMIC-III and MIMIC-IV training and evaluation pipelines to accommodate fair future comparisons.

Foundation models rely on large-scale web-crawled datasets, which frequently contain noisy data, biases, and irrelevant content. Existing data selection techniques typically use human heuristics, downstream evaluation datasets, or specialized scoring models, and can overlook samples' utility in the training process. Instead, we propose a new approach, Mimic Score, a data quality metric that uses a pretrained reference model as a guide to assess the usefulness of data samples for training a new model. It relies on the alignment between the gradient of the new model parameters and the vector pointing toward the reference model in weight space. Samples that misalign with this direction are considered low-value and can be filtered out. Motivated by the Mimic score, we develop Grad-Mimic, a data selection framework that identifies and prioritizes useful samples, automating the selection process to create effective filters. Empirically, using Mimic scores to guide model training results in consistent performance gains across six image datasets and enhances the performance of CLIP models. Moreover, Mimic scores and their associated filters improve upon existing filtering methods and offer accurate estimation of dataset quality.

Chest X-rays (CXRs) play an integral role in driving critical decisions in disease management and patient care. While recent innovations have led to specialized models for various CXR interpretation tasks, these solutions often operate in isolation, limiting their practical utility in clinical practice. We present MedRAX, the first versatile AI agent that seamlessly integrates state-of-the-art CXR analysis tools and multimodal large language models into a unified framework. MedRAX dynamically leverages these models to address complex medical queries without requiring additional training. To rigorously evaluate its capabilities, we introduce ChestAgentBench, a comprehensive benchmark containing 2,500 complex medical queries across 7 diverse categories. Our experiments demonstrate that MedRAX achieves state-of-the-art performance compared to both open-source and proprietary models, representing a significant step toward the practical deployment of automated CXR interpretation systems. Data and code have been publicly available at https://github.com/bowang-lab/MedRAX

Building generalizable AI models is one of the primary challenges in the healthcare domain. While radiologists rely on generalizable descriptive rules of abnormality, Neural Network (NN) models suffer even with a slight shift in input distribution (e.g., scanner type). Fine-tuning a model to transfer knowledge from one domain to another requires a significant amount of labeled data in the target domain. In this paper, we develop an interpretable model that can be efficiently fine-tuned to an unseen target domain with minimal computational cost. We assume the interpretable component of NN to be approximately domain-invariant. However, interpretable models typically underperform compared to their Blackbox (BB) variants. We start with a BB in the source domain and distill it into a mixture of shallow interpretable models using human-understandable concepts. As each interpretable model covers a subset of data, a mixture of interpretable models achieves comparable performance as BB. Further, we use the pseudo-labeling technique from semi-supervised learning (SSL) to learn the concept classifier in the target domain, followed by fine-tuning the interpretable models in the target domain. We evaluate our model using a real-life large-scale chest-X-ray (CXR) classification dataset. The code is available at: https://github.com/batmanlab/MICCAI-2023-Route-interpret-repeat-CXRs.

Spatial reasoning tasks in multi-agent environments such as event prediction, agent type identification, or missing data imputation are important for multiple applications (e.g., autonomous surveillance over sensor networks and subtasks for reinforcement learning (RL)). StarCraft II game replays encode intelligent (and adversarial) multi-agent behavior and could provide a testbed for these tasks; however, extracting simple and standardized representations for prototyping these tasks is laborious and hinders reproducibility. In contrast, MNIST and CIFAR10, despite their extreme simplicity, have enabled rapid prototyping and reproducibility of ML methods. Following the simplicity of these datasets, we construct a benchmark spatial reasoning dataset based on StarCraft II replays that exhibit complex multi-agent behaviors, while still being as easy to use as MNIST and CIFAR10. Specifically, we carefully summarize a window of 255 consecutive game states to create 3.6 million summary images from 60,000 replays, including all relevant metadata such as game outcome and player races. We develop three formats of decreasing complexity: Hyperspectral images that include one channel for every unit type (similar to multispectral geospatial images), RGB images that mimic CIFAR10, and grayscale images that mimic MNIST. We show how this dataset can be used for prototyping spatial reasoning methods. All datasets, code for extraction, and code for dataset loading can be found at https://starcraftdata.davidinouye.com

Given the clinical notes written in electronic health records (EHRs), it is challenging to predict the diagnostic codes which is formulated as a multi-label classification task. The large set of labels, the hierarchical dependency, and the imbalanced data make this prediction task extremely hard. Most existing work built a binary prediction for each label independently, ignoring the dependencies between labels. To address this problem, we propose a two-stage framework to improve automatic ICD coding by capturing the label correlation. Specifically, we train a label set distribution estimator to rescore the probability of each label set candidate generated by a base predictor. This paper is the first attempt at learning the label set distribution as a reranking module for medical code prediction. In the experiments, our proposed framework is able to improve upon best-performing predictors on the benchmark MIMIC datasets. The source code of this project is available at https://github.com/MiuLab/ICD-Correlation.

The global ramifications of the COVID-19 pandemic remain significant, exerting persistent pressure on nations even three years after its initial outbreak. Deep learning models have shown promise in improving COVID-19 diagnostics but require diverse and larger-scale datasets to improve performance. In this paper, we introduce COVIDx CXR-4, an expanded multi-institutional open-source benchmark dataset for chest X-ray image-based computer-aided COVID-19 diagnostics. COVIDx CXR-4 expands significantly on the previous COVIDx CXR-3 dataset by increasing the total patient cohort size by greater than 2.66 times, resulting in 84,818 images from 45,342 patients across multiple institutions. We provide extensive analysis on the diversity of the patient demographic, imaging metadata, and disease distributions to highlight potential dataset biases. To the best of the authors' knowledge, COVIDx CXR-4 is the largest and most diverse open-source COVID-19 CXR dataset and is made publicly available as part of an open initiative to advance research to aid clinicians against the COVID-19 disease.

Predicting disease trajectories from electronic health records (EHRs) is a complex task due to major challenges such as data non-stationarity, high granularity of medical codes, and integration of multimodal data. EHRs contain both structured data, such as diagnostic codes, and unstructured data, such as clinical notes, which hold essential information often overlooked. Current models, primarily based on structured data, struggle to capture the complete medical context of patients, resulting in a loss of valuable information. To address this issue, we propose an approach that integrates unstructured clinical notes into transformer-based deep learning models for sequential disease prediction. This integration enriches the representation of patients' medical histories, thereby improving the accuracy of diagnosis predictions. Experiments on MIMIC-IV datasets demonstrate that the proposed approach outperforms traditional models relying solely on structured data.

The way in which data are shared can affect their utility and reusability. Here, we demonstrate how data that we had previously shared in bulk can be mobilized further through a knowledge graph that allows for much more granular exploration and interrogation. The original dataset is about the computational reproducibility of GitHub-hosted Jupyter notebooks associated with biomedical publications. It contains rich metadata about the publications, associated GitHub repositories and Jupyter notebooks, and the notebooks' reproducibility. We took this dataset, converted it into semantic triples and loaded these into a triple store to create a knowledge graph, FAIR Jupyter, that we made accessible via a web service. This enables granular data exploration and analysis through queries that can be tailored to specific use cases. Such queries may provide details about any of the variables from the original dataset, highlight relationships between them or combine some of the graph's content with materials from corresponding external resources. We provide a collection of example queries addressing a range of use cases in research and education. We also outline how sets of such queries can be used to profile specific content types, either individually or by class. We conclude by discussing how such a semantically enhanced sharing of complex datasets can both enhance their FAIRness, i.e., their findability, accessibility, interoperability, and reusability, and help identify and communicate best practices, particularly with regards to data quality, standardization, automation and reproducibility.

Inspired by the success of large language models (LLMs), there is growing research interest in developing LLMs in the medical domain to assist clinicians. However, for hospitals, using closed-source commercial LLMs involves privacy issues, and developing open-source public LLMs requires large-scale computational resources, which are usually limited, especially in resource-efficient regions and low-income countries. We propose an open-source Small Language and Vision Assistant (SLaVA-CXR) that can be used for Chest X-Ray report automation. To efficiently train a small assistant, we first propose the Re^3Training method, which simulates the cognitive development of radiologists and optimizes the model in the Recognition, Reasoning, and Reporting training manner. Then, we introduce a data synthesis method, RADEX, which can generate a high-quality and diverse training corpus with privacy regulation compliance. The extensive experiments show that our SLaVA-CXR built on a 2.7B backbone not only outperforms but also achieves 6 times faster inference efficiency than previous state-of-the-art larger models.

The recommendation of medication is a vital aspect of intelligent healthcare systems, as it involves prescribing the most suitable drugs based on a patient's specific health needs. Unfortunately, many sophisticated models currently in use tend to overlook the nuanced semantics of medical data, while only relying heavily on identities. Furthermore, these models face significant challenges in handling cases involving patients who are visiting the hospital for the first time, as they lack prior prescription histories to draw upon. To tackle these issues, we harness the powerful semantic comprehension and input-agnostic characteristics of Large Language Models (LLMs). Our research aims to transform existing medication recommendation methodologies using LLMs. In this paper, we introduce a novel approach called Large Language Model Distilling Medication Recommendation (LEADER). We begin by creating appropriate prompt templates that enable LLMs to suggest medications effectively. However, the straightforward integration of LLMs into recommender systems leads to an out-of-corpus issue specific to drugs. We handle it by adapting the LLMs with a novel output layer and a refined tuning loss function. Although LLM-based models exhibit remarkable capabilities, they are plagued by high computational costs during inference, which is impractical for the healthcare sector. To mitigate this, we have developed a feature-level knowledge distillation technique, which transfers the LLM's proficiency to a more compact model. Extensive experiments conducted on two real-world datasets, MIMIC-III and MIMIC-IV, demonstrate that our proposed model not only delivers effective results but also is efficient. To ease the reproducibility of our experiments, we release the implementation code online.

This paper challenges the recent paradigm in atomic property prediction that links progress to growing dataset sizes and computational resources. We show that pretraining on a carefully selected, task-relevant dataset can match or even surpass large-scale pretraining, while using as little as 1/24th of the computational cost. We introduce the Chemical Similarity Index (CSI), a novel metric inspired by computer vision's Fr\'echet Inception Distance, for molecular graphs which quantifies the alignment between upstream pretraining datasets and downstream tasks. By selecting the most relevant dataset with minimal CSI distance, we show that models pretrained on a smaller, focused dataset consistently outperform those pretrained on massive, mixed datasets such as JMP, even when those larger datasets include the relevant dataset. Counterintuitively, we also find that indiscriminately adding more data can degrade model performance when the additional data poorly aligns with the task at hand. Our findings highlight that quality often outperforms quantity in pretraining for atomic property prediction.

Imitation learning from a large set of human demonstrations has proved to be an effective paradigm for building capable robot agents. However, the demonstrations can be extremely costly and time-consuming to collect. We introduce MimicGen, a system for automatically synthesizing large-scale, rich datasets from only a small number of human demonstrations by adapting them to new contexts. We use MimicGen to generate over 50K demonstrations across 18 tasks with diverse scene configurations, object instances, and robot arms from just ~200 human demonstrations. We show that robot agents can be effectively trained on this generated dataset by imitation learning to achieve strong performance in long-horizon and high-precision tasks, such as multi-part assembly and coffee preparation, across broad initial state distributions. We further demonstrate that the effectiveness and utility of MimicGen data compare favorably to collecting additional human demonstrations, making it a powerful and economical approach towards scaling up robot learning. Datasets, simulation environments, videos, and more at https://mimicgen.github.io .

Radiology reporting is a complex task that requires detailed image understanding, integration of multiple inputs, including comparison with prior imaging, and precise language generation. This makes it ideal for the development and use of generative multimodal models. Here, we extend report generation to include the localisation of individual findings on the image - a task we call grounded report generation. Prior work indicates that grounding is important for clarifying image understanding and interpreting AI-generated text. Therefore, grounded reporting stands to improve the utility and transparency of automated report drafting. To enable evaluation of grounded reporting, we propose a novel evaluation framework - RadFact - leveraging the reasoning capabilities of large language models (LLMs). RadFact assesses the factuality of individual generated sentences, as well as correctness of generated spatial localisations when present. We introduce MAIRA-2, a large multimodal model combining a radiology-specific image encoder with a LLM, and trained for the new task of grounded report generation on chest X-rays. MAIRA-2 uses more comprehensive inputs than explored previously: the current frontal image, the current lateral image, the prior frontal image and prior report, as well as the Indication, Technique and Comparison sections of the current report. We demonstrate that these additions significantly improve report quality and reduce hallucinations, establishing a new state of the art on findings generation (without grounding) on MIMIC-CXR while demonstrating the feasibility of grounded reporting as a novel and richer task.

Previous research on radiology report generation has made significant progress in terms of increasing the clinical accuracy of generated reports. In this paper, we emphasize another crucial quality that it should possess, i.e., inter-report consistency, which refers to the capability of generating consistent reports for semantically equivalent radiographs. This quality is even of greater significance than the overall report accuracy in terms of ensuring the system's credibility, as a system prone to providing conflicting results would severely erode users' trust. Regrettably, existing approaches struggle to maintain inter-report consistency, exhibiting biases towards common patterns and susceptibility to lesion variants. To address this issue, we propose ICON, which improves the inter-report consistency of radiology report generation. Aiming at enhancing the system's ability to capture the similarities in semantically equivalent lesions, our approach involves first extracting lesions from input images and examining their characteristics. Then, we introduce a lesion-aware mix-up augmentation technique to ensure that the representations of the semantically equivalent lesions align with the same attributes, by linearly interpolating them during the training phase. Extensive experiments on three publicly available chest X-ray datasets verify the effectiveness of our approach, both in terms of improving the consistency and accuracy of the generated reports.

X-ray images play a vital role in the intraoperative processes due to their high resolution and fast imaging speed and greatly promote the subsequent segmentation, registration and reconstruction. However, over-dosed X-rays superimpose potential risks to human health to some extent. Data-driven algorithms from volume scans to X-ray images are restricted by the scarcity of paired X-ray and volume data. Existing methods are mainly realized by modelling the whole X-ray imaging procedure. In this study, we propose a learning-based approach termed CT2X-GAN to synthesize the X-ray images in an end-to-end manner using the content and style disentanglement from three different image domains. Our method decouples the anatomical structure information from CT scans and style information from unpaired real X-ray images/ digital reconstructed radiography (DRR) images via a series of decoupling encoders. Additionally, we introduce a novel consistency regularization term to improve the stylistic resemblance between synthesized X-ray images and real X-ray images. Meanwhile, we also impose a supervised process by computing the similarity of computed real DRR and synthesized DRR images. We further develop a pose attention module to fully strengthen the comprehensive information in the decoupled content code from CT scans, facilitating high-quality multi-view image synthesis in the lower 2D space. Extensive experiments were conducted on the publicly available CTSpine1K dataset and achieved 97.8350, 0.0842 and 3.0938 in terms of FID, KID and defined user-scored X-ray similarity, respectively. In comparison with 3D-aware methods (pi-GAN, EG3D), CT2X-GAN is superior in improving the synthesis quality and realistic to the real X-ray images.

The volumetric representation of human interactions is one of the fundamental domains in the development of immersive media productions and telecommunication applications. Particularly in the context of the rapid advancement of Extended Reality (XR) applications, this volumetric data has proven to be an essential technology for future XR elaboration. In this work, we present a new multimodal database to help advance the development of immersive technologies. Our proposed database provides ethically compliant and diverse volumetric data, in particular 27 participants displaying posed facial expressions and subtle body movements while speaking, plus 11 participants wearing head-mounted displays (HMDs). The recording system consists of a volumetric capture (VoCap) studio, including 31 synchronized modules with 62 RGB cameras and 31 depth cameras. In addition to textured meshes, point clouds, and multi-view RGB-D data, we use one Lytro Illum camera for providing light field (LF) data simultaneously. Finally, we also provide an evaluation of our dataset employment with regard to the tasks of facial expression classification, HMDs removal, and point cloud reconstruction. The dataset can be helpful in the evaluation and performance testing of various XR algorithms, including but not limited to facial expression recognition and reconstruction, facial reenactment, and volumetric video. HEADSET and its all associated raw data and license agreement will be publicly available for research purposes.

The widespread use of chest X-rays (CXRs), coupled with a shortage of radiologists, has driven growing interest in automated CXR analysis and AI-assisted reporting. While existing vision-language models (VLMs) show promise in specific tasks such as report generation or abnormality detection, they often lack support for interactive diagnostic capabilities. In this work we present RadVLM, a compact, multitask conversational foundation model designed for CXR interpretation. To this end, we curate a large-scale instruction dataset comprising over 1 million image-instruction pairs containing both single-turn tasks -- such as report generation, abnormality classification, and visual grounding -- and multi-turn, multi-task conversational interactions. After fine-tuning RadVLM on this instruction dataset, we evaluate it across different tasks along with re-implemented baseline VLMs. Our results show that RadVLM achieves state-of-the-art performance in conversational capabilities and visual grounding while remaining competitive in other radiology tasks. Ablation studies further highlight the benefit of joint training across multiple tasks, particularly for scenarios with limited annotated data. Together, these findings highlight the potential of RadVLM as a clinically relevant AI assistant, providing structured CXR interpretation and conversational capabilities to support more effective and accessible diagnostic workflows.

Multi-document summarization is a challenging task for which there exists little large-scale datasets. We propose Multi-XScience, a large-scale multi-document summarization dataset created from scientific articles. Multi-XScience introduces a challenging multi-document summarization task: writing the related-work section of a paper based on its abstract and the articles it references. Our work is inspired by extreme summarization, a dataset construction protocol that favours abstractive modeling approaches. Descriptive statistics and empirical results---using several state-of-the-art models trained on the Multi-XScience dataset---reveal that Multi-XScience is well suited for abstractive models.

In order to fully harness the potential of machine learning, it is crucial to establish a system that renders the field more accessible and less daunting for individuals who may not possess a comprehensive understanding of its intricacies. The paper describes the design of a system that integrates AutoML, XAI, and synthetic data generation to provide a great UX design for users. The system allows users to navigate and harness the power of machine learning while abstracting its complexities and providing high usability. The paper proposes two novel classifiers, Logistic Regression Forest and Support Vector Tree, for enhanced model performance, achieving 96\% accuracy on a diabetes dataset and 93\% on a survey dataset. The paper also introduces a model-dependent local interpreter called MEDLEY and evaluates its interpretation against LIME, Greedy, and Parzen. Additionally, the paper introduces LLM-based synthetic data generation, library-based data generation, and enhancing the original dataset with GAN. The findings on synthetic data suggest that enhancing the original dataset with GAN is the most reliable way to generate synthetic data, as evidenced by KS tests, standard deviation, and feature importance. The authors also found that GAN works best for quantitative datasets.

Multi-dataset training provides a viable solution for exploiting heterogeneous large-scale datasets without extra annotation cost. In this work, we propose a scalable multi-dataset detector (ScaleDet) that can scale up its generalization across datasets when increasing the number of training datasets. Unlike existing multi-dataset learners that mostly rely on manual relabelling efforts or sophisticated optimizations to unify labels across datasets, we introduce a simple yet scalable formulation to derive a unified semantic label space for multi-dataset training. ScaleDet is trained by visual-textual alignment to learn the label assignment with label semantic similarities across datasets. Once trained, ScaleDet can generalize well on any given upstream and downstream datasets with seen and unseen classes. We conduct extensive experiments using LVIS, COCO, Objects365, OpenImages as upstream datasets, and 13 datasets from Object Detection in the Wild (ODinW) as downstream datasets. Our results show that ScaleDet achieves compelling strong model performance with an mAP of 50.7 on LVIS, 58.8 on COCO, 46.8 on Objects365, 76.2 on OpenImages, and 71.8 on ODinW, surpassing state-of-the-art detectors with the same backbone.

Catalyst discovery and optimization is key to solving many societal and energy challenges including solar fuels synthesis, long-term energy storage, and renewable fertilizer production. Despite considerable effort by the catalysis community to apply machine learning models to the computational catalyst discovery process, it remains an open challenge to build models that can generalize across both elemental compositions of surfaces and adsorbate identity/configurations, perhaps because datasets have been smaller in catalysis than related fields. To address this we developed the OC20 dataset, consisting of 1,281,040 Density Functional Theory (DFT) relaxations (~264,890,000 single point evaluations) across a wide swath of materials, surfaces, and adsorbates (nitrogen, carbon, and oxygen chemistries). We supplemented this dataset with randomly perturbed structures, short timescale molecular dynamics, and electronic structure analyses. The dataset comprises three central tasks indicative of day-to-day catalyst modeling and comes with pre-defined train/validation/test splits to facilitate direct comparisons with future model development efforts. We applied three state-of-the-art graph neural network models (CGCNN, SchNet, Dimenet++) to each of these tasks as baseline demonstrations for the community to build on. In almost every task, no upper limit on model size was identified, suggesting that even larger models are likely to improve on initial results. The dataset and baseline models are both provided as open resources, as well as a public leader board to encourage community contributions to solve these important tasks.

We introduce SMUTF, a unique approach for large-scale tabular data schema matching (SM), which assumes that supervised learning does not affect performance in open-domain tasks, thereby enabling effective cross-domain matching. This system uniquely combines rule-based feature engineering, pre-trained language models, and generative large language models. In an innovative adaptation inspired by the Humanitarian Exchange Language, we deploy 'generative tags' for each data column, enhancing the effectiveness of SM. SMUTF exhibits extensive versatility, working seamlessly with any pre-existing pre-trained embeddings, classification methods, and generative models. Recognizing the lack of extensive, publicly available datasets for SM, we have created and open-sourced the HDXSM dataset from the public humanitarian data. We believe this to be the most exhaustive SM dataset currently available. In evaluations across various public datasets and the novel HDXSM dataset, SMUTF demonstrated exceptional performance, surpassing existing state-of-the-art models in terms of accuracy and efficiency, and} improving the F1 score by 11.84% and the AUC of ROC by 5.08%.

Continuity of care is crucial to ensuring positive health outcomes for patients discharged from an inpatient hospital setting, and improved information sharing can help. To share information, caregivers write discharge notes containing action items to share with patients and their future caregivers, but these action items are easily lost due to the lengthiness of the documents. In this work, we describe our creation of a dataset of clinical action items annotated over MIMIC-III, the largest publicly available dataset of real clinical notes. This dataset, which we call CLIP, is annotated by physicians and covers 718 documents representing 100K sentences. We describe the task of extracting the action items from these documents as multi-aspect extractive summarization, with each aspect representing a type of action to be taken. We evaluate several machine learning models on this task, and show that the best models exploit in-domain language model pre-training on 59K unannotated documents, and incorporate context from neighboring sentences. We also propose an approach to pre-training data selection that allows us to explore the trade-off between size and domain-specificity of pre-training datasets for this task.

Recent years have seen the advent of molecular simulation datasets that are orders of magnitude larger and more diverse. These new datasets differ substantially in four aspects of complexity: 1. Chemical diversity (number of different elements), 2. system size (number of atoms per sample), 3. dataset size (number of data samples), and 4. domain shift (similarity of the training and test set). Despite these large differences, benchmarks on small and narrow datasets remain the predominant method of demonstrating progress in graph neural networks (GNNs) for molecular simulation, likely due to cheaper training compute requirements. This raises the question -- does GNN progress on small and narrow datasets translate to these more complex datasets? This work investigates this question by first developing the GemNet-OC model based on the large Open Catalyst 2020 (OC20) dataset. GemNet-OC outperforms the previous state-of-the-art on OC20 by 16% while reducing training time by a factor of 10. We then compare the impact of 18 model components and hyperparameter choices on performance in multiple datasets. We find that the resulting model would be drastically different depending on the dataset used for making model choices. To isolate the source of this discrepancy we study six subsets of the OC20 dataset that individually test each of the above-mentioned four dataset aspects. We find that results on the OC-2M subset correlate well with the full OC20 dataset while being substantially cheaper to train on. Our findings challenge the common practice of developing GNNs solely on small datasets, but highlight ways of achieving fast development cycles and generalizable results via moderately-sized, representative datasets such as OC-2M and efficient models such as GemNet-OC. Our code and pretrained model weights are open-sourced.

Following the impressive development of LLMs, vision-language alignment in LLMs is actively being researched to enable multimodal reasoning and visual IO. This direction of research is particularly relevant to medical imaging because medical image analysis and generation consist of reasoning based on a combination of visual features and prior knowledge. Many recent works have focused on training adapter networks that serve as an information bridge between image processing networks and LLMs; but presumably, in order to achieve maximum reasoning potential of LLMs on visual information as well, visual and language features should be allowed to interact more freely. This is especially important in the medical domain because understanding and generating medical images such as chest X-rays (CXR) require not only accurate visual and language-based reasoning but also a more intimate mapping between the two modalities. Thus, taking inspiration from previous work on the transformer and VQ-GAN combination for bidirectional image and text generation, we build upon this approach and develop a method for instruction-tuning an LLM pre-trained only on text to gain vision-language capabilities for medical images. Specifically, we leverage a pretrained LLM's existing question-answering and instruction-following abilities to teach it to understand visual inputs by instructing it to answer questions about image inputs and, symmetrically, output both text and image responses appropriate to a given query by tuning the LLM with diverse tasks that encompass image-based text-generation and text-based image-generation. We show that our model, LLM-CXR, trained in this approach shows better image-text alignment in both CXR understanding and generation tasks while being smaller in size compared to previously developed models that perform a narrower range of tasks. The code is at https://github.com/hyn2028/llm-cxr.

The successes of foundation models such as ChatGPT and AlphaFold have spurred significant interest in building similar models for electronic medical records (EMRs) to improve patient care and hospital operations. However, recent hype has obscured critical gaps in our understanding of these models' capabilities. We review over 80 foundation models trained on non-imaging EMR data (i.e. clinical text and/or structured data) and create a taxonomy delineating their architectures, training data, and potential use cases. We find that most models are trained on small, narrowly-scoped clinical datasets (e.g. MIMIC-III) or broad, public biomedical corpora (e.g. PubMed) and are evaluated on tasks that do not provide meaningful insights on their usefulness to health systems. In light of these findings, we propose an improved evaluation framework for measuring the benefits of clinical foundation models that is more closely grounded to metrics that matter in healthcare.

Distribution shifts are a major source of failure of deployed machine learning models. However, evaluating a model's reliability under distribution shifts can be challenging, especially since it may be difficult to acquire counterfactual examples that exhibit a specified shift. In this work, we introduce dataset interfaces: a framework which allows users to scalably synthesize such counterfactual examples from a given dataset. Specifically, we represent each class from the input dataset as a custom token within the text space of a text-to-image diffusion model. By incorporating these tokens into natural language prompts, we can then generate instantiations of objects in that dataset under desired distribution shifts. We demonstrate how applying our framework to the ImageNet dataset enables us to study model behavior across a diverse array of shifts, including variations in background, lighting, and attributes of the objects themselves. Code available at https://github.com/MadryLab/dataset-interfaces.

Global semantic 3D understanding from single-view high-resolution remote sensing (RS) imagery is crucial for Earth Observation (EO). However, this task faces significant challenges due to the high costs of annotations and data collection, as well as geographically restricted data availability. To address these challenges, synthetic data offer a promising solution by being easily accessible and thus enabling the provision of large and diverse datasets. We develop a specialized synthetic data generation pipeline for EO and introduce SynRS3D, the largest synthetic RS 3D dataset. SynRS3D comprises 69,667 high-resolution optical images that cover six different city styles worldwide and feature eight land cover types, precise height information, and building change masks. To further enhance its utility, we develop a novel multi-task unsupervised domain adaptation (UDA) method, RS3DAda, coupled with our synthetic dataset, which facilitates the RS-specific transition from synthetic to real scenarios for land cover mapping and height estimation tasks, ultimately enabling global monocular 3D semantic understanding based on synthetic data. Extensive experiments on various real-world datasets demonstrate the adaptability and effectiveness of our synthetic dataset and proposed RS3DAda method. SynRS3D and related codes will be available.

For object re-identification (re-ID), learning from synthetic data has become a promising strategy to cheaply acquire large-scale annotated datasets and effective models, with few privacy concerns. Many interesting research problems arise from this strategy, e.g., how to reduce the domain gap between synthetic source and real-world target. To facilitate developing more new approaches in learning from synthetic data, we introduce the Alice benchmarks, large-scale datasets providing benchmarks as well as evaluation protocols to the research community. Within the Alice benchmarks, two object re-ID tasks are offered: person and vehicle re-ID. We collected and annotated two challenging real-world target datasets: AlicePerson and AliceVehicle, captured under various illuminations, image resolutions, etc. As an important feature of our real target, the clusterability of its training set is not manually guaranteed to make it closer to a real domain adaptation test scenario. Correspondingly, we reuse existing PersonX and VehicleX as synthetic source domains. The primary goal is to train models from synthetic data that can work effectively in the real world. In this paper, we detail the settings of Alice benchmarks, provide an analysis of existing commonly-used domain adaptation methods, and discuss some interesting future directions. An online server has been set up for the community to evaluate methods conveniently and fairly. Datasets and the online server details are available at https://sites.google.com/view/alice-benchmarks.

We introduce XTREME-S, a new benchmark to evaluate universal cross-lingual speech representations in many languages. XTREME-S covers four task families: speech recognition, classification, speech-to-text translation and retrieval. Covering 102 languages from 10+ language families, 3 different domains and 4 task families, XTREME-S aims to simplify multilingual speech representation evaluation, as well as catalyze research in "universal" speech representation learning. This paper describes the new benchmark and establishes the first speech-only and speech-text baselines using XLS-R and mSLAM on all downstream tasks. We motivate the design choices and detail how to use the benchmark. Datasets and fine-tuning scripts are made easily accessible at https://hf.co/datasets/google/xtreme_s.

Objective: To improve performance of medical entity normalization across many languages, especially when fewer language resources are available compared to English. Materials and Methods: We introduce xMEN, a modular system for cross-lingual medical entity normalization, which performs well in both low- and high-resource scenarios. When synonyms in the target language are scarce for a given terminology, we leverage English aliases via cross-lingual candidate generation. For candidate ranking, we incorporate a trainable cross-encoder model if annotations for the target task are available. We also evaluate cross-encoders trained in a weakly supervised manner based on machine-translated datasets from a high resource domain. Our system is publicly available as an extensible Python toolkit. Results: xMEN improves the state-of-the-art performance across a wide range of multilingual benchmark datasets. Weakly supervised cross-encoders are effective when no training data is available for the target task. Through the compatibility of xMEN with the BigBIO framework, it can be easily used with existing and prospective datasets. Discussion: Our experiments show the importance of balancing the output of general-purpose candidate generators with subsequent trainable re-rankers, which we achieve through a rank regularization term in the loss function of the cross-encoder. However, error analysis reveals that multi-word expressions and other complex entities are still challenging. Conclusion: xMEN exhibits strong performance for medical entity normalization in multiple languages, even when no labeled data and few terminology aliases for the target language are available. Its configuration system and evaluation modules enable reproducible benchmarks. Models and code are available online at the following URL: https://github.com/hpi-dhc/xmen

The public availability of collections containing user preferences is of vital importance for performing offline evaluations in the field of recommender systems. However, the number of rating datasets is limited because of the costs required for their creation and the fear of violating the privacy of the users by sharing them. For this reason, numerous research attempts investigated the creation of synthetic collections of ratings using generative approaches. Nevertheless, these datasets are usually not reliable enough for conducting an evaluation campaign. In this paper, we propose a method for creating synthetic datasets with a configurable number of users that mimic the characteristics of already existing ones. We empirically validated the proposed approach by exploiting the synthetic datasets for evaluating different recommenders and by comparing the results with the ones obtained using real datasets.

High-throughput reaction condition (RC) screening is fundamental to chemical synthesis. However, current RC screening suffers from laborious and costly trial-and-error workflows. Traditional computer-aided synthesis planning (CASP) tools fail to find suitable RCs due to data sparsity and inadequate reaction representations. Nowadays, large language models (LLMs) are capable of tackling chemistry-related problems, such as molecule design, and chemical logic Q\&A tasks. However, LLMs have not yet achieved accurate predictions of chemical reaction conditions. Here, we present MM-RCR, a text-augmented multimodal LLM that learns a unified reaction representation from SMILES, reaction graphs, and textual corpus for chemical reaction recommendation (RCR). To train MM-RCR, we construct 1.2 million pair-wised Q\&A instruction datasets. Our experimental results demonstrate that MM-RCR achieves state-of-the-art performance on two open benchmark datasets and exhibits strong generalization capabilities on out-of-domain (OOD) and High-Throughput Experimentation (HTE) datasets. MM-RCR has the potential to accelerate high-throughput condition screening in chemical synthesis.

Automated diagnosis prediction from medical images is a valuable resource to support clinical decision-making. However, such systems usually need to be trained on large amounts of annotated data, which often is scarce in the medical domain. Zero-shot methods address this challenge by allowing a flexible adaption to new settings with different clinical findings without relying on labeled data. Further, to integrate automated diagnosis in the clinical workflow, methods should be transparent and explainable, increasing medical professionals' trust and facilitating correctness verification. In this work, we introduce Xplainer, a novel framework for explainable zero-shot diagnosis in the clinical setting. Xplainer adapts the classification-by-description approach of contrastive vision-language models to the multi-label medical diagnosis task. Specifically, instead of directly predicting a diagnosis, we prompt the model to classify the existence of descriptive observations, which a radiologist would look for on an X-Ray scan, and use the descriptor probabilities to estimate the likelihood of a diagnosis. Our model is explainable by design, as the final diagnosis prediction is directly based on the prediction of the underlying descriptors. We evaluate Xplainer on two chest X-ray datasets, CheXpert and ChestX-ray14, and demonstrate its effectiveness in improving the performance and explainability of zero-shot diagnosis. Our results suggest that Xplainer provides a more detailed understanding of the decision-making process and can be a valuable tool for clinical diagnosis.

Instance level detection and segmentation of thoracic diseases or abnormalities are crucial for automatic diagnosis in chest X-ray images. Leveraging on constant structure and disease relations extracted from domain knowledge, we propose a structure-aware relation network (SAR-Net) extending Mask R-CNN. The SAR-Net consists of three relation modules: 1. the anatomical structure relation module encoding spatial relations between diseases and anatomical parts. 2. the contextual relation module aggregating clues based on query-key pair of disease RoI and lung fields. 3. the disease relation module propagating co-occurrence and causal relations into disease proposals. Towards making a practical system, we also provide ChestX-Det, a chest X-Ray dataset with instance-level annotations (boxes and masks). ChestX-Det is a subset of the public dataset NIH ChestX-ray14. It contains ~3500 images of 13 common disease categories labeled by three board-certified radiologists. We evaluate our SAR-Net on it and another dataset DR-Private. Experimental results show that it can enhance the strong baseline of Mask R-CNN with significant improvements. The ChestX-Det is released at https://github.com/Deepwise-AILab/ChestX-Det-Dataset.

The sharp increase in data-related expenses has motivated research into condensing datasets while retaining the most informative features. Dataset distillation has thus recently come to the fore. This paradigm generates synthetic datasets that are representative enough to replace the original dataset in training a neural network. To avoid redundancy in these synthetic datasets, it is crucial that each element contains unique features and remains diverse from others during the synthesis stage. In this paper, we provide a thorough theoretical and empirical analysis of diversity within synthesized datasets. We argue that enhancing diversity can improve the parallelizable yet isolated synthesizing approach. Specifically, we introduce a novel method that employs dynamic and directed weight adjustment techniques to modulate the synthesis process, thereby maximizing the representativeness and diversity of each synthetic instance. Our method ensures that each batch of synthetic data mirrors the characteristics of a large, varying subset of the original dataset. Extensive experiments across multiple datasets, including CIFAR, Tiny-ImageNet, and ImageNet-1K, demonstrate the superior performance of our method, highlighting its effectiveness in producing diverse and representative synthetic datasets with minimal computational expense. Our code is available at https://github.com/AngusDujw/Diversity-Driven-Synthesis.https://github.com/AngusDujw/Diversity-Driven-Synthesis.

Visual recognition models are prone to learning spurious correlations induced by a biased training set where certain conditions B (\eg, Indoors) are over-represented in certain classes Y (\eg, Big Dogs). Synthetic data from off-the-shelf large-scale generative models offers a promising direction to mitigate this issue by augmenting underrepresented subgroups in the real dataset. However, by using a mixed distribution of real and synthetic data, we introduce another source of bias due to distributional differences between synthetic and real data (\eg synthetic artifacts). As we will show, prior work's approach for using synthetic data to resolve the model's bias toward B do not correct the model's bias toward the pair (B, G), where G denotes whether the sample is real or synthetic. Thus, the model could simply learn signals based on the pair (B, G) (\eg, Synthetic Indoors) to make predictions about Y (\eg, Big Dogs). To address this issue, we propose a simple, easy-to-implement, two-step training pipeline that we call From Fake to Real (FFR). The first step of FFR pre-trains a model on balanced synthetic data to learn robust representations across subgroups. In the second step, FFR fine-tunes the model on real data using ERM or common loss-based bias mitigation methods. By training on real and synthetic data separately, FFR does not expose the model to the statistical differences between real and synthetic data and thus avoids the issue of bias toward the pair (B, G). Our experiments show that FFR improves worst group accuracy over the state-of-the-art by up to 20\% over three datasets. Code available: https://github.com/mqraitem/From-Fake-to-Real

In this brief technical report we introduce the CINIC-10 dataset as a plug-in extended alternative for CIFAR-10. It was compiled by combining CIFAR-10 with images selected and downsampled from the ImageNet database. We present the approach to compiling the dataset, illustrate the example images for different classes, give pixel distributions for each part of the repository, and give some standard benchmarks for well known models. Details for download, usage, and compilation can be found in the associated github repository.

Pre-trained Vision-Language Models (VLMs) utilizing extensive image-text paired data have demonstrated unprecedented image-text association capabilities, achieving remarkable results across various downstream tasks. A critical challenge is how to make use of existing large-scale pre-trained VLMs, which are trained on common objects, to perform the domain-specific transfer for accomplishing domain-related downstream tasks. A critical challenge is how to make use of existing large-scale pre-trained VLMs, which are trained on common objects, to perform the domain-specific transfer for accomplishing domain-related downstream tasks. In this paper, we propose a new framework that includes the Domain pre-trained Vision-Language Model (DVLM), bridging the gap between the General Vision-Language Model (GVLM) and domain-specific downstream tasks. Moreover, we present an image-text paired dataset in the field of remote sensing (RS), RS5M, which has 5 million RS images with English descriptions. The dataset is obtained from filtering publicly available image-text paired datasets and captioning label-only RS datasets with pre-trained VLM. These constitute the first large-scale RS image-text paired dataset. Additionally, we fine-tuned the CLIP model and tried several Parameter-Efficient Fine-Tuning methods on RS5M to implement the DVLM. Experimental results show that our proposed dataset is highly effective for various tasks, and our model GeoRSCLIP improves upon the baseline or previous state-of-the-art model by 3%sim20% in Zero-shot Classification (ZSC), 3%sim6% in Remote Sensing Cross-Modal Text-Image Retrieval (RSCTIR) and 4%sim5% in Semantic Localization (SeLo) tasks. Dataset and models have been released in: https://github.com/om-ai-lab/RS5M.

This report introduces xGen-MM (also known as BLIP-3), a framework for developing Large Multimodal Models (LMMs). The framework comprises meticulously curated datasets, a training recipe, model architectures, and a resulting suite of LMMs. xGen-MM, short for xGen-MultiModal, expands the Salesforce xGen initiative on foundation AI models. Our models undergo rigorous evaluation across a range of tasks, including both single and multi-image benchmarks. Our pre-trained base model exhibits strong in-context learning capabilities and the instruction-tuned model demonstrates competitive performance among open-source LMMs with similar model sizes. In addition, we introduce a safety-tuned model with DPO, aiming to mitigate harmful behaviors such as hallucinations and improve safety. We open-source our models, curated large-scale datasets, and our fine-tuning codebase to facilitate further advancements in LMM research. Associated resources will be available on our project page above.

Molecule-text modeling, which aims to facilitate molecule-relevant tasks with a textual interface and textual knowledge, is an emerging research direction. Beyond single molecules, studying reaction-text modeling holds promise for helping the synthesis of new materials and drugs. However, previous works mostly neglect reaction-text modeling: they primarily focus on modeling individual molecule-text pairs or learning chemical reactions without texts in context. Additionally, one key task of reaction-text modeling -- experimental procedure prediction -- is less explored due to the absence of an open-source dataset. The task is to predict step-by-step actions of conducting chemical experiments and is crucial to automating chemical synthesis. To resolve the challenges above, we propose a new pretraining method, ReactXT, for reaction-text modeling, and a new dataset, OpenExp, for experimental procedure prediction. Specifically, ReactXT features three types of input contexts to incrementally pretrain LMs. Each of the three input contexts corresponds to a pretraining task to improve the text-based understanding of either reactions or single molecules. ReactXT demonstrates consistent improvements in experimental procedure prediction and molecule captioning and offers competitive results in retrosynthesis. Our code is available at https://github.com/syr-cn/ReactXT.

In the realms of computer vision, it is evident that deep neural networks perform better in a supervised setting with a large amount of labeled data. The representations learned with supervision are not only of high quality but also helps the model in enhancing its accuracy. However, the collection and annotation of a large dataset are costly and time-consuming. To avoid the same, there has been a lot of research going on in the field of unsupervised visual representation learning especially in a self-supervised setting. Amongst the recent advancements in self-supervised methods for visual recognition, in SimCLR Chen et al. shows that good quality representations can indeed be learned without explicit supervision. In SimCLR, the authors maximize the similarity of augmentations of the same image and minimize the similarity of augmentations of different images. A linear classifier trained with the representations learned using this approach yields 76.5% top-1 accuracy on the ImageNet ILSVRC-2012 dataset. In this work, we propose that, with the normalized temperature-scaled cross-entropy (NT-Xent) loss function (as used in SimCLR), it is beneficial to not have images of the same category in the same batch. In an unsupervised setting, the information of images pertaining to the same category is missing. We use the latent space representation of a denoising autoencoder trained on the unlabeled dataset and cluster them with k-means to obtain pseudo labels. With this apriori information we batch images, where no two images from the same category are to be found. We report comparable performance enhancements on the CIFAR10 dataset and a subset of the ImageNet dataset. We refer to our method as G-SimCLR.

Systematic literature reviews (SLRs) play an essential role in summarising, synthesising and validating scientific evidence. In recent years, there has been a growing interest in using machine learning techniques to automate the identification of relevant studies for SLRs. However, the lack of standardised evaluation datasets makes comparing the performance of such automated literature screening systems difficult. In this paper, we analyse the citation screening evaluation datasets, revealing that many of the available datasets are either too small, suffer from data leakage or have limited applicability to systems treating automated literature screening as a classification task, as opposed to, for example, a retrieval or question-answering task. To address these challenges, we introduce CSMeD, a meta-dataset consolidating nine publicly released collections, providing unified access to 325 SLRs from the fields of medicine and computer science. CSMeD serves as a comprehensive resource for training and evaluating the performance of automated citation screening models. Additionally, we introduce CSMeD-FT, a new dataset designed explicitly for evaluating the full text publication screening task. To demonstrate the utility of CSMeD, we conduct experiments and establish baselines on new datasets.

Predicting in-hospital mortality for intensive care unit (ICU) patients is key to final clinical outcomes. AI has shown advantaged accuracy but suffers from the lack of explainability. To address this issue, this paper proposes an eXplainable Multimodal Mortality Predictor (X-MMP) approaching an efficient, explainable AI solution for predicting in-hospital mortality via multimodal ICU data. We employ multimodal learning in our framework, which can receive heterogeneous inputs from clinical data and make decisions. Furthermore, we introduce an explainable method, namely Layer-Wise Propagation to Transformer, as a proper extension of the LRP method to Transformers, producing explanations over multimodal inputs and revealing the salient features attributed to prediction. Moreover, the contribution of each modality to clinical outcomes can be visualized, assisting clinicians in understanding the reasoning behind decision-making. We construct a multimodal dataset based on MIMIC-III and MIMIC-III Waveform Database Matched Subset. Comprehensive experiments on benchmark datasets demonstrate that our proposed framework can achieve reasonable interpretation with competitive prediction accuracy. In particular, our framework can be easily transferred to other clinical tasks, which facilitates the discovery of crucial factors in healthcare research.

Synthetic data generation offers a promising solution to enhance the usefulness of Electronic Healthcare Records (EHR) by generating realistic de-identified data. However, the existing literature primarily focuses on the quality of synthetic health data, neglecting the crucial aspect of fairness in downstream predictions. Consequently, models trained on synthetic EHR have faced criticism for producing biased outcomes in target tasks. These biases can arise from either spurious correlations between features or the failure of models to accurately represent sub-groups. To address these concerns, we present Bias-transforming Generative Adversarial Networks (Bt-GAN), a GAN-based synthetic data generator specifically designed for the healthcare domain. In order to tackle spurious correlations (i), we propose an information-constrained Data Generation Process that enables the generator to learn a fair deterministic transformation based on a well-defined notion of algorithmic fairness. To overcome the challenge of capturing exact sub-group representations (ii), we incentivize the generator to preserve sub-group densities through score-based weighted sampling. This approach compels the generator to learn from underrepresented regions of the data manifold. We conduct extensive experiments using the MIMIC-III database. Our results demonstrate that Bt-GAN achieves SOTA accuracy while significantly improving fairness and minimizing bias amplification. We also perform an in-depth explainability analysis to provide additional evidence supporting the validity of our study. In conclusion, our research introduces a novel and professional approach to addressing the limitations of synthetic data generation in the healthcare domain. By incorporating fairness considerations and leveraging advanced techniques such as GANs, we pave the way for more reliable and unbiased predictions in healthcare applications.

We introduce TabRepo, a new dataset of tabular model evaluations and predictions. TabRepo contains the predictions and metrics of 1310 models evaluated on 200 classification and regression datasets. We illustrate the benefit of our dataset in multiple ways. First, we show that it allows to perform analysis such as comparing Hyperparameter Optimization against current AutoML systems while also considering ensembling at marginal cost by using precomputed model predictions. Second, we show that our dataset can be readily leveraged to perform transfer-learning. In particular, we show that applying standard transfer-learning techniques allows to outperform current state-of-the-art tabular systems in accuracy, runtime and latency.

Recently, pre-trained foundation models have enabled significant advancements in multiple fields. In molecular machine learning, however, where datasets are often hand-curated, and hence typically small, the lack of datasets with labeled features, and codebases to manage those datasets, has hindered the development of foundation models. In this work, we present seven novel datasets categorized by size into three distinct categories: ToyMix, LargeMix and UltraLarge. These datasets push the boundaries in both the scale and the diversity of supervised labels for molecular learning. They cover nearly 100 million molecules and over 3000 sparsely defined tasks, totaling more than 13 billion individual labels of both quantum and biological nature. In comparison, our datasets contain 300 times more data points than the widely used OGB-LSC PCQM4Mv2 dataset, and 13 times more than the quantum-only QM1B dataset. In addition, to support the development of foundational models based on our proposed datasets, we present the Graphium graph machine learning library which simplifies the process of building and training molecular machine learning models for multi-task and multi-level molecular datasets. Finally, we present a range of baseline results as a starting point of multi-task and multi-level training on these datasets. Empirically, we observe that performance on low-resource biological datasets show improvement by also training on large amounts of quantum data. This indicates that there may be potential in multi-task and multi-level training of a foundation model and fine-tuning it to resource-constrained downstream tasks.

Model selection/optimization in conformal inference is challenging, since it may break the exchangeability between labeled and unlabeled data. We study this problem in the context of conformal selection, which uses conformal p-values to select ``interesting'' instances with large unobserved labels from a pool of unlabeled data, while controlling the FDR in finite sample. For validity, existing solutions require the model choice to be independent of the data used to construct the p-values and calibrate the selection set. However, when presented with many model choices and limited labeled data, it is desirable to (i) select the best model in a data-driven manner, and (ii) mitigate power loss due to sample splitting. This paper presents OptCS, a general framework that allows valid statistical testing (selection) after flexible data-driven model optimization. We introduce general conditions under which OptCS constructs valid conformal p-values despite substantial data reuse and handles complex p-value dependencies to maintain finite-sample FDR control via a novel multiple testing procedure. We instantiate this general recipe to propose three FDR-controlling procedures, each optimizing the models differently: (i) selecting the most powerful one among multiple pre-trained candidate models, (ii) using all data for model fitting without sample splitting, and (iii) combining full-sample model fitting and selection. We demonstrate the efficacy of our methods via simulation studies and real applications in drug discovery and alignment of large language models in radiology report generation.

The lack of standardized robustness metrics and the widespread reliance on numerous unrelated benchmark datasets for testing have created a gap between academically validated robust models and their often problematic practical adoption. To address this, we introduce XIMAGENET-12, an explainable benchmark dataset with over 200K images and 15,600 manual semantic annotations. Covering 12 categories from ImageNet to represent objects commonly encountered in practical life and simulating six diverse scenarios, including overexposure, blurring, color changing, etc., we further propose a novel robustness criterion that extends beyond model generation ability assessment. This benchmark dataset, along with related code, is available at https://sites.google.com/view/ximagenet-12/home. Researchers and practitioners can leverage this resource to evaluate the robustness of their visual models under challenging conditions and ultimately benefit from the demands of practical computer vision systems.

Composed Image Retrieval (CIR) aims to retrieve a target image based on a query composed of a reference image and a relative caption that describes the difference between the two images. The high effort and cost required for labeling datasets for CIR hamper the widespread usage of existing methods, as they rely on supervised learning. In this work, we propose a new task, Zero-Shot CIR (ZS-CIR), that aims to address CIR without requiring a labeled training dataset. Our approach, named zero-Shot composEd imAge Retrieval with textuaL invErsion (SEARLE), maps the visual features of the reference image into a pseudo-word token in CLIP token embedding space and integrates it with the relative caption. To support research on ZS-CIR, we introduce an open-domain benchmarking dataset named Composed Image Retrieval on Common Objects in context (CIRCO), which is the first dataset for CIR containing multiple ground truths for each query. The experiments show that SEARLE exhibits better performance than the baselines on the two main datasets for CIR tasks, FashionIQ and CIRR, and on the proposed CIRCO. The dataset, the code and the model are publicly available at https://github.com/miccunifi/SEARLE.

Large multimodal datasets have been instrumental in recent breakthroughs such as CLIP, Stable Diffusion, and GPT-4. At the same time, datasets rarely receive the same research attention as model architectures or training algorithms. To address this shortcoming in the machine learning ecosystem, we introduce DataComp, a benchmark where the training code is fixed and researchers innovate by proposing new training sets. We provide a testbed for dataset experiments centered around a new candidate pool of 12.8B image-text pairs from Common Crawl. Participants in our benchmark design new filtering techniques or curate new data sources and then evaluate their new dataset by running our standardized CLIP training code and testing on 38 downstream test sets. Our benchmark consists of multiple scales, with four candidate pool sizes and associated compute budgets ranging from 12.8M to 12.8B samples seen during training. This multi-scale design facilitates the study of scaling trends and makes the benchmark accessible to researchers with varying resources. Our baseline experiments show that the DataComp workflow is a promising way of improving multimodal datasets. We introduce DataComp-1B, a dataset created by applying a simple filtering algorithm to the 12.8B candidate pool. The resulting 1.4B subset enables training a CLIP ViT-L/14 from scratch to 79.2% zero-shot accuracy on ImageNet. Our new ViT-L/14 model outperforms a larger ViT-g/14 trained on LAION-2B by 0.7 percentage points while requiring 9x less training compute. We also outperform OpenAI's CLIP ViT-L/14 by 3.7 percentage points, which is trained with the same compute budget as our model. These gains highlight the potential for improving model performance by carefully curating training sets. We view DataComp-1B as only the first step and hope that DataComp paves the way toward the next generation of multimodal datasets.

Cardiac MRI, crucial for evaluating heart structure and function, faces limitations like slow imaging and motion artifacts. Undersampling reconstruction, especially data-driven algorithms, has emerged as a promising solution to accelerate scans and enhance imaging performance using highly under-sampled data. Nevertheless, the scarcity of publicly available cardiac k-space datasets and evaluation platform hinder the development of data-driven reconstruction algorithms. To address this issue, we organized the Cardiac MRI Reconstruction Challenge (CMRxRecon) in 2023, in collaboration with the 26th International Conference on MICCAI. CMRxRecon presented an extensive k-space dataset comprising cine and mapping raw data, accompanied by detailed annotations of cardiac anatomical structures. With overwhelming participation, the challenge attracted more than 285 teams and over 600 participants. Among them, 22 teams successfully submitted Docker containers for the testing phase, with 7 teams submitted for both cine and mapping tasks. All teams use deep learning based approaches, indicating that deep learning has predominately become a promising solution for the problem. The first-place winner of both tasks utilizes the E2E-VarNet architecture as backbones. In contrast, U-Net is still the most popular backbone for both multi-coil and single-coil reconstructions. This paper provides a comprehensive overview of the challenge design, presents a summary of the submitted results, reviews the employed methods, and offers an in-depth discussion that aims to inspire future advancements in cardiac MRI reconstruction models. The summary emphasizes the effective strategies observed in Cardiac MRI reconstruction, including backbone architecture, loss function, pre-processing techniques, physical modeling, and model complexity, thereby providing valuable insights for further developments in this field.

This paper introduces a public dataset of 1.4 million procedurally-generated bicycle designs represented parametrically, as JSON files, and as rasterized images. The dataset is created through the use of a rendering engine which harnesses the BikeCAD software to generate vector graphics from parametric designs. This rendering engine is discussed in the paper and also released publicly alongside the dataset. Though this dataset has numerous applications, a principal motivation is the need to train cross-modal predictive models between parametric and image-based design representations. For example, we demonstrate that a predictive model can be trained to accurately estimate Contrastive Language-Image Pretraining (CLIP) embeddings from a parametric representation directly. This allows similarity relations to be established between parametric bicycle designs and text strings or reference images. Trained predictive models are also made public. The dataset joins the BIKED dataset family which includes thousands of mixed-representation human-designed bicycle models and several datasets quantifying design performance. The code and dataset can be found at: https://github.com/Lyleregenwetter/BIKED_multimodal/tree/main

Interpreting electrocardiograms (ECGs) and generating comprehensive reports remain challenging tasks in cardiology, often requiring specialized expertise and significant time investment. To address these critical issues, we propose ECG-ReGen, a retrieval-based approach for ECG-to-text report generation and question answering. Our method leverages a self-supervised learning for the ECG encoder, enabling efficient similarity searches and report retrieval. By combining pre-training with dynamic retrieval and Large Language Model (LLM)-based refinement, ECG-ReGen effectively analyzes ECG data and answers related queries, with the potential of improving patient care. Experiments conducted on the PTB-XL and MIMIC-IV-ECG datasets demonstrate superior performance in both in-domain and cross-domain scenarios for report generation. Furthermore, our approach exhibits competitive performance on ECG-QA dataset compared to fully supervised methods when utilizing off-the-shelf LLMs for zero-shot question answering. This approach, effectively combining self-supervised encoder and LLMs, offers a scalable and efficient solution for accurate ECG interpretation, holding significant potential to enhance clinical decision-making.

The cross-domain text-to-SQL task aims to build a system that can parse user questions into SQL on complete unseen databases, and the single-domain text-to-SQL task evaluates the performance on identical databases. Both of these setups confront unavoidable difficulties in real-world applications. To this end, we introduce the cross-schema text-to-SQL task, where the databases of evaluation data are different from that in the training data but come from the same domain. Furthermore, we present CSS, a large-scale CrosS-Schema Chinese text-to-SQL dataset, to carry on corresponding studies. CSS originally consisted of 4,340 question/SQL pairs across 2 databases. In order to generalize models to different medical systems, we extend CSS and create 19 new databases along with 29,280 corresponding dataset examples. Moreover, CSS is also a large corpus for single-domain Chinese text-to-SQL studies. We present the data collection approach and a series of analyses of the data statistics. To show the potential and usefulness of CSS, benchmarking baselines have been conducted and reported. Our dataset is publicly available at https://huggingface.co/datasets/zhanghanchong/css.

The rapid advancement of large language models (LLMs) has sparked interest in data synthesis techniques, aiming to generate diverse and high-quality synthetic datasets. However, these synthetic datasets often suffer from a lack of diversity and added noise. In this paper, we present TarGEN, a multi-step prompting strategy for generating high-quality synthetic datasets utilizing a LLM. An advantage of TarGEN is its seedless nature; it does not require specific task instances, broadening its applicability beyond task replication. We augment TarGEN with a method known as self-correction empowering LLMs to rectify inaccurately labeled instances during dataset creation, ensuring reliable labels. To assess our technique's effectiveness, we emulate 8 tasks from the SuperGLUE benchmark and finetune various language models, including encoder-only, encoder-decoder, and decoder-only models on both synthetic and original training sets. Evaluation on the original test set reveals that models trained on datasets generated by TarGEN perform approximately 1-2% points better than those trained on original datasets (82.84% via syn. vs. 81.12% on og. using Flan-T5). When incorporating instruction tuning, the performance increases to 84.54% on synthetic data vs. 81.49% on original data by Flan-T5. A comprehensive analysis of the synthetic dataset compared to the original dataset reveals that the synthetic dataset demonstrates similar or higher levels of dataset complexity and diversity. Furthermore, the synthetic dataset displays a bias level that aligns closely with the original dataset. Finally, when pre-finetuned on our synthetic SuperGLUE dataset, T5-3B yields impressive results on the OpenLLM leaderboard, surpassing the model trained on the Self-Instruct dataset by 4.14% points. We hope that TarGEN can be helpful for quality data generation and reducing the human efforts to create complex benchmarks.

Image datasets are essential not only in validating existing methods in computer vision but also in developing new methods. Most existing image datasets focus on trichromatic intensity images to mimic human vision. However, polarization and spectrum, the wave properties of light that animals in harsh environments and with limited brain capacity often rely on, remain underrepresented in existing datasets. Although spectro-polarimetric datasets exist, these datasets have insufficient object diversity, limited illumination conditions, linear-only polarization data, and inadequate image count. Here, we introduce two spectro-polarimetric datasets: trichromatic Stokes images and hyperspectral Stokes images. These novel datasets encompass both linear and circular polarization; they introduce multiple spectral channels; and they feature a broad selection of real-world scenes. With our dataset in hand, we analyze the spectro-polarimetric image statistics, develop efficient representations of such high-dimensional data, and evaluate spectral dependency of shape-from-polarization methods. As such, the proposed dataset promises a foundation for data-driven spectro-polarimetric imaging and vision research. Dataset and code will be publicly available.

This paper presents the Esethu Framework, a sustainable data curation framework specifically designed to empower local communities and ensure equitable benefit-sharing from their linguistic resources. This framework is supported by the Esethu license, a novel community-centric data license. As a proof of concept, we introduce the Vuk'uzenzele isiXhosa Speech Dataset (ViXSD), an open-source corpus developed under the Esethu Framework and License. The dataset, containing read speech from native isiXhosa speakers enriched with demographic and linguistic metadata, demonstrates how community-driven licensing and curation principles can bridge resource gaps in automatic speech recognition (ASR) for African languages while safeguarding the interests of data creators. We describe the framework guiding dataset development, outline the Esethu license provisions, present the methodology for ViXSD, and present ASR experiments validating ViXSD's usability in building and refining voice-driven applications for isiXhosa.

There is a growing need for Large Language Models (LLMs) to effectively use tools and external Application Programming Interfaces (APIs) to plan and complete tasks. As such, there is tremendous interest in methods that can acquire sufficient quantities of train and test data that involve calls to tools / APIs. Two lines of research have emerged as the predominant strategies for addressing this challenge. The first has focused on synthetic data generation techniques, while the second has involved curating task-adjacent datasets which can be transformed into API / Tool-based tasks. In this paper, we focus on the task of identifying, curating, and transforming existing datasets and, in turn, introduce API-BLEND, a large corpora for training and systematic testing of tool-augmented LLMs. The datasets mimic real-world scenarios involving API-tasks such as API / tool detection, slot filling, and sequencing of the detected APIs. We demonstrate the utility of the API-BLEND dataset for both training and benchmarking purposes.

Latest efforts on cross-lingual relation extraction (XRE) aggressively leverage the language-consistent structural features from the universal dependency (UD) resource, while they may largely suffer from biased transfer (e.g., either target-biased or source-biased) due to the inevitable linguistic disparity between languages. In this work, we investigate an unbiased UD-based XRE transfer by constructing a type of code-mixed UD forest. We first translate the sentence of the source language to the parallel target-side language, for both of which we parse the UD tree respectively. Then, we merge the source-/target-side UD structures as a unified code-mixed UD forest. With such forest features, the gaps of UD-based XRE between the training and predicting phases can be effectively closed. We conduct experiments on the ACE XRE benchmark datasets, where the results demonstrate that the proposed code-mixed UD forests help unbiased UD-based XRE transfer, with which we achieve significant XRE performance gains.

Underlying data structures, such as symmetries or invariances to transformations, are often exploited to improve the solution of learning tasks. However, embedding these properties in models or learning algorithms can be challenging and computationally intensive. Data augmentation, on the other hand, induces these symmetries during training by applying multiple transformations to the input data. Despite its ubiquity, its effectiveness depends on the choices of which transformations to apply, when to do so, and how often. In fact, there is both empirical and theoretical evidence that the indiscriminate use of data augmentation can introduce biases that outweigh its benefits. This work tackles these issues by automatically adapting the data augmentation while solving the learning task. To do so, it formulates data augmentation as an invariance-constrained learning problem and leverages Monte Carlo Markov Chain (MCMC) sampling to solve it. The result is a practical algorithm that not only does away with a priori searches for augmentation distributions, but also dynamically controls if and when data augmentation is applied. Our experiments illustrate the performance of this method, which achieves state-of-the-art results in automatic data augmentation benchmarks for CIFAR datasets. Furthermore, this approach can be used to gather insights on the actual symmetries underlying a learning task.

Methods for carefully selecting or generating a small set of training data to learn from, i.e., data pruning, coreset selection, and data distillation, have been shown to be effective in reducing the ever-increasing cost of training neural networks. Behind this success are rigorously designed strategies for identifying informative training examples out of large datasets. However, these strategies come with additional computational costs associated with subset selection or data distillation before training begins, and furthermore, many are shown to even under-perform random sampling in high data compression regimes. As such, many data pruning, coreset selection, or distillation methods may not reduce 'time-to-accuracy', which has become a critical efficiency measure of training deep neural networks over large datasets. In this work, we revisit a powerful yet overlooked random sampling strategy to address these challenges and introduce an approach called Repeated Sampling of Random Subsets (RSRS or RS2), where we randomly sample the subset of training data for each epoch of model training. We test RS2 against thirty state-of-the-art data pruning and data distillation methods across four datasets including ImageNet. Our results demonstrate that RS2 significantly reduces time-to-accuracy compared to existing techniques. For example, when training on ImageNet in the high-compression regime (using less than 10% of the dataset each epoch), RS2 yields accuracy improvements up to 29% compared to competing pruning methods while offering a runtime reduction of 7x. Beyond the above meta-study, we provide a convergence analysis for RS2 and discuss its generalization capability. The primary goal of our work is to establish RS2 as a competitive baseline for future data selection or distillation techniques aimed at efficient training.

The drug development pipeline for a new compound can last 10-20 years and cost over 10 billion. Drug repurposing offers a more time- and cost-effective alternative. Computational approaches based on biomedical knowledge graph representations have recently yielded new drug repurposing hypotheses. In this study, we present a novel, disease-specific hypergraph representation learning technique to derive contextual embeddings of biological pathways of various lengths but that all start at any given drug and all end at the disease of interest. Further, we extend this method to multi-disease hypergraphs. To determine the repurposing potential of each of the 1,522 drugs, we derive drug-specific distributions of cosine similarity values and ultimately consider the median for ranking. Cosine similarity values are computed between (1) all biological pathways starting at the considered drug and ending at the disease of interest and (2) all biological pathways starting at drugs currently prescribed against that disease and ending at the disease of interest. We illustrate our approach with Alzheimer's disease (AD) and two of its risk factors: hypertension (HTN) and type 2 diabetes (T2D). We compare each drug's rank across four hypergraph settings (single- or multi-disease): AD only, AD + HTN, AD + T2D, and AD + HTN + T2D. Notably, our framework led to the identification of two promising drugs whose repurposing potential was significantly higher in hypergraphs combining two diseases: dapagliflozin (antidiabetic; moved up, from top 32% to top 7%, across all considered drugs) and debrisoquine (antihypertensive; moved up, from top 76% to top 23%). Our approach serves as a hypothesis generation tool, to be paired with a validation pipeline relying on laboratory experiments and semi-automated parsing of the biomedical literature.

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp .

A major barrier to developing vision large language models (LLMs) in dermatology is the lack of large image--text pairs dataset. We introduce DermaSynth, a dataset comprising of 92,020 synthetic image--text pairs curated from 45,205 images (13,568 clinical and 35,561 dermatoscopic) for dermatology-related clinical tasks. Leveraging state-of-the-art LLMs, using Gemini 2.0, we used clinically related prompts and self-instruct method to generate diverse and rich synthetic texts. Metadata of the datasets were incorporated into the input prompts by targeting to reduce potential hallucinations. The resulting dataset builds upon open access dermatological image repositories (DERM12345, BCN20000, PAD-UFES-20, SCIN, and HIBA) that have permissive CC-BY-4.0 licenses. We also fine-tuned a preliminary Llama-3.2-11B-Vision-Instruct model, DermatoLlama 1.0, on 5,000 samples. We anticipate this dataset to support and accelerate AI research in dermatology. Data and code underlying this work are accessible at https://github.com/abdurrahimyilmaz/DermaSynth.

Recent technological advances in synthetic data have enabled the generation of images with such high quality that human beings cannot tell the difference between real-life photographs and Artificial Intelligence (AI) generated images. Given the critical necessity of data reliability and authentication, this article proposes to enhance our ability to recognise AI-generated images through computer vision. Initially, a synthetic dataset is generated that mirrors the ten classes of the already available CIFAR-10 dataset with latent diffusion which provides a contrasting set of images for comparison to real photographs. The model is capable of generating complex visual attributes, such as photorealistic reflections in water. The two sets of data present as a binary classification problem with regard to whether the photograph is real or generated by AI. This study then proposes the use of a Convolutional Neural Network (CNN) to classify the images into two categories; Real or Fake. Following hyperparameter tuning and the training of 36 individual network topologies, the optimal approach could correctly classify the images with 92.98% accuracy. Finally, this study implements explainable AI via Gradient Class Activation Mapping to explore which features within the images are useful for classification. Interpretation reveals interesting concepts within the image, in particular, noting that the actual entity itself does not hold useful information for classification; instead, the model focuses on small visual imperfections in the background of the images. The complete dataset engineered for this study, referred to as the CIFAKE dataset, is made publicly available to the research community for future work.

Modern machine learning relies on datasets to develop and validate research ideas. Given the growth of publicly available data, finding the right dataset to use is increasingly difficult. Any research question imposes explicit and implicit constraints on how well a given dataset will enable researchers to answer this question, such as dataset size, modality, and domain. We operationalize the task of recommending datasets given a short natural language description of a research idea, to help people find relevant datasets for their needs. Dataset recommendation poses unique challenges as an information retrieval problem; datasets are hard to directly index for search and there are no corpora readily available for this task. To facilitate this task, we build the DataFinder Dataset which consists of a larger automatically-constructed training set (17.5K queries) and a smaller expert-annotated evaluation set (392 queries). Using this data, we compare various information retrieval algorithms on our test set and present a superior bi-encoder retriever for text-based dataset recommendation. This system, trained on the DataFinder Dataset, finds more relevant search results than existing third-party dataset search engines. To encourage progress on dataset recommendation, we release our dataset and models to the public.

In this work, we present MedImageInsight, an open-source medical imaging embedding model. MedImageInsight is trained on medical images with associated text and labels across a diverse collection of domains, including X-Ray, CT, MRI, dermoscopy, OCT, fundus photography, ultrasound, histopathology, and mammography. Rigorous evaluations demonstrate MedImageInsight's ability to achieve state-of-the-art (SOTA) or human expert level performance across classification, image-image search, and fine-tuning tasks. Specifically, on public datasets, MedImageInsight achieves SOTA in CT 3D medical image retrieval, as well as SOTA in disease classification and search for chest X-ray, dermatology, and OCT imaging. Furthermore, MedImageInsight achieves human expert performance in bone age estimation (on both public and partner data), as well as AUC above 0.9 in most other domains. When paired with a text decoder, MedImageInsight achieves near SOTA level single image report findings generation with less than 10\% the parameters of other models. Compared to fine-tuning GPT-4o with only MIMIC-CXR data for the same task, MedImageInsight outperforms in clinical metrics, but underperforms on lexical metrics where GPT-4o sets a new SOTA. Importantly for regulatory purposes, MedImageInsight can generate ROC curves, adjust sensitivity and specificity based on clinical need, and provide evidence-based decision support through image-image search (which can also enable retrieval augmented generation). In an independent clinical evaluation of image-image search in chest X-ray, MedImageInsight outperformed every other publicly available foundation model evaluated by large margins (over 6 points AUC), and significantly outperformed other models in terms of AI fairness (across age and gender). We hope releasing MedImageInsight will help enhance collective progress in medical imaging AI research and development.

In recent decades, chemistry publications and patents have increased rapidly. A significant portion of key information is embedded in molecular structure figures, complicating large-scale literature searches and limiting the application of large language models in fields such as biology, chemistry, and pharmaceuticals. The automatic extraction of precise chemical structures is of critical importance. However, the presence of numerous Markush structures in real-world documents, along with variations in molecular image quality, drawing styles, and noise, significantly limits the performance of existing optical chemical structure recognition (OCSR) methods. We present MolParser, a novel end-to-end OCSR method that efficiently and accurately recognizes chemical structures from real-world documents, including difficult Markush structure. We use a extended SMILES encoding rule to annotate our training dataset. Under this rule, we build MolParser-7M, the largest annotated molecular image dataset to our knowledge. While utilizing a large amount of synthetic data, we employed active learning methods to incorporate substantial in-the-wild data, specifically samples cropped from real patents and scientific literature, into the training process. We trained an end-to-end molecular image captioning model, MolParser, using a curriculum learning approach. MolParser significantly outperforms classical and learning-based methods across most scenarios, with potential for broader downstream applications. The dataset is publicly available.

Empirically validating new 3D-printing related algorithms and implementations requires testing data representative of inputs encountered in the wild. An ideal benchmarking dataset should not only draw from the same distribution of shapes people print in terms of class (e.g., toys, mechanisms, jewelry), representation type (e.g., triangle soup meshes) and complexity (e.g., number of facets), but should also capture problems and artifacts endemic to 3D printing models (e.g., self-intersections, non-manifoldness). We observe that the contextual and geometric characteristics of 3D printing models differ significantly from those used for computer graphics applications, not to mention standard models (e.g., Stanford bunny, Armadillo, Fertility). We present a new dataset of 10,000 models collected from an online 3D printing model-sharing database. Via analysis of both geometric (e.g., triangle aspect ratios, manifoldness) and contextual (e.g., licenses, tags, classes) characteristics, we demonstrate that this dataset represents a more concise summary of real-world models used for 3D printing compared to existing datasets. To facilitate future research endeavors, we also present an online query interface to select subsets of the dataset according to project-specific characteristics. The complete dataset and per-model statistical data are freely available to the public.

Radiologists play a crucial role by translating medical images into medical reports. However, the field faces staffing shortages and increasing workloads. While automated approaches using vision-language models (VLMs) show promise as assistants, they require exceptionally high accuracy. Most current VLMs in radiology rely solely on supervised fine-tuning (SFT). Meanwhile, in the general domain, additional preference fine-tuning has become standard practice. The challenge in radiology lies in the prohibitive cost of obtaining radiologist feedback. We propose a scalable automated preference alignment technique for VLMs in radiology, focusing on chest X-ray (CXR) report generation. Our method leverages publicly available datasets with an LLM-as-a-Judge mechanism, eliminating the need for additional expert radiologist feedback. We evaluate and benchmark five direct alignment algorithms (DAAs). Our results show up to a 57.4% improvement in average GREEN scores, a LLM-based metric for evaluating CXR reports, and a 9.2% increase in an average across six metrics (domain specific and general), compared to the SFT baseline. We study reward overoptimization via length exploitation, with reports lengthening by up to 3.2x. To assess a potential alignment tax, we benchmark on six additional diverse tasks, finding no significant degradations. A reader study involving four board-certified radiologists indicates win rates of up to 0.62 over the SFT baseline, while significantly penalizing verbosity. Our analysis provides actionable insights for the development of VLMs in high-stakes fields like radiology.

Recent advances in machine learning have significantly improved the understanding of source code data and achieved good performance on a number of downstream tasks. Open source repositories like GitHub enable this process with rich unlabeled code data. However, the lack of high quality labeled data has largely hindered the progress of several code related tasks, such as program translation, summarization, synthesis, and code search. This paper introduces XLCoST, Cross-Lingual Code SnippeT dataset, a new benchmark dataset for cross-lingual code intelligence. Our dataset contains fine-grained parallel data from 8 languages (7 commonly used programming languages and English), and supports 10 cross-lingual code tasks. To the best of our knowledge, it is the largest parallel dataset for source code both in terms of size and the number of languages. We also provide the performance of several state-of-the-art baseline models for each task. We believe this new dataset can be a valuable asset for the research community and facilitate the development and validation of new methods for cross-lingual code intelligence.

Automatic International Classification of Diseases (ICD) coding aims to assign multiple ICD codes to a medical note with average length of 3,000+ tokens. This task is challenging due to a high-dimensional space of multi-label assignment (tens of thousands of ICD codes) and the long-tail challenge: only a few codes (common diseases) are frequently assigned while most codes (rare diseases) are infrequently assigned. This study addresses the long-tail challenge by adapting a prompt-based fine-tuning technique with label semantics, which has been shown to be effective under few-shot setting. To further enhance the performance in medical domain, we propose a knowledge-enhanced longformer by injecting three domain-specific knowledge: hierarchy, synonym, and abbreviation with additional pretraining using contrastive learning. Experiments on MIMIC-III-full, a benchmark dataset of code assignment, show that our proposed method outperforms previous state-of-the-art method in 14.5% in marco F1 (from 10.3 to 11.8, P<0.001). To further test our model on few-shot setting, we created a new rare diseases coding dataset, MIMIC-III-rare50, on which our model improves marco F1 from 17.1 to 30.4 and micro F1 from 17.2 to 32.6 compared to previous method.

Access to real-world medication prescriptions is essential for medical research and healthcare quality improvement. However, access to real medication prescriptions is often limited due to the sensitive nature of the information expressed. Additionally, manually labelling these instructions for training and fine-tuning Natural Language Processing (NLP) models can be tedious and expensive. We introduce a novel task-specific model architecture, Label-To-Text-Transformer (LT3), tailored to generate synthetic medication prescriptions based on provided labels, such as a vocabulary list of medications and their attributes. LT3 is trained on a set of around 2K lines of medication prescriptions extracted from the MIMIC-III database, allowing the model to produce valuable synthetic medication prescriptions. We evaluate LT3's performance by contrasting it with a state-of-the-art Pre-trained Language Model (PLM), T5, analysing the quality and diversity of generated texts. We deploy the generated synthetic data to train the SpacyNER model for the Named Entity Recognition (NER) task over the n2c2-2018 dataset. The experiments show that the model trained on synthetic data can achieve a 96-98\% F1 score at Label Recognition on Drug, Frequency, Route, Strength, and Form. LT3 codes and data will be shared at https://github.com/HECTA-UoM/Label-To-Text-Transformer

Self-supervised pre-training bears potential to generate expressive representations without human annotation. Most pre-training in Earth observation (EO) are based on ImageNet or medium-size, labeled remote sensing (RS) datasets. We share an unlabeled RS dataset SSL4EO-S12 (Self-Supervised Learning for Earth Observation - Sentinel-1/2) to assemble a large-scale, global, multimodal, and multi-seasonal corpus of satellite imagery from the ESA Sentinel-1 \& -2 satellite missions. For EO applications we demonstrate SSL4EO-S12 to succeed in self-supervised pre-training for a set of methods: MoCo-v2, DINO, MAE, and data2vec. Resulting models yield downstream performance close to, or surpassing accuracy measures of supervised learning. In addition, pre-training on SSL4EO-S12 excels compared to existing datasets. We make openly available the dataset, related source code, and pre-trained models at https://github.com/zhu-xlab/SSL4EO-S12.

High-quality machine learning (ML)-ready datasets play a foundational role in developing new artificial intelligence (AI) models or fine-tuning existing models for scientific applications such as weather and climate analysis. Unfortunately, despite the growing development of new deep learning models for weather and climate, there is a scarcity of curated, pre-processed machine learning (ML)-ready datasets. Curating such high-quality datasets for developing new models is challenging particularly because the modality of the input data varies significantly for different downstream tasks addressing different atmospheric scales (spatial and temporal). Here we introduce WxC-Bench (Weather and Climate Bench), a multi-modal dataset designed to support the development of generalizable AI models for downstream use-cases in weather and climate research. WxC-Bench is designed as a dataset of datasets for developing ML-models for a complex weather and climate system, addressing selected downstream tasks as machine learning phenomenon. WxC-Bench encompasses several atmospheric processes from meso-beta (20 - 200 km) scale to synoptic scales (2500 km), such as aviation turbulence, hurricane intensity and track monitoring, weather analog search, gravity wave parameterization, and natural language report generation. We provide a comprehensive description of the dataset and also present a technical validation for baseline analysis. The dataset and code to prepare the ML-ready data have been made publicly available on Hugging Face -- https://huggingface.co/datasets/nasa-impact/WxC-Bench

Despite the effectiveness of data selection for large language models (LLMs) during pretraining and instruction fine-tuning phases, improving data efficiency in supervised fine-tuning (SFT) for specialized domains poses significant challenges due to the complexity of fine-tuning data. To bridge this gap, we introduce an effective and scalable data selection method for SFT, SmallToLarge (S2L), which leverages training trajectories from small models to guide the data selection for larger models. We demonstrate through extensive experiments that S2L significantly improves data efficiency in SFT for mathematical problem-solving, reducing the training data to just 11% of the original MathInstruct dataset (Yue et al., 2023) to match full dataset performance while outperforming state-of-the-art data selection algorithms by an average of 4.7% across 6 in- and out-domain evaluation datasets. Remarkably, selecting only 50K data for SFT, S2L achieves a 32.7% accuracy on the most challenging MATH (Hendrycks et al., 2021) benchmark, improving Phi-2 (Li et al., 2023b) by 16.6%. In clinical text summarization on the MIMIC-III dataset (Johnson et al., 2016), S2L again outperforms training on the full dataset using only 50% of the data. Notably, S2L can perform data selection using a reference model 40x smaller than the target model, proportionally reducing the cost of data selection.

In this paper, we introduce a novel Multi-Modal Contrastive Pre-training Framework that synergistically combines X-rays, electrocardiograms (ECGs), and radiology/cardiology reports. Our approach leverages transformers to encode these diverse modalities into a unified representation space, aiming to enhance diagnostic accuracy and facilitate comprehensive patient assessments. We utilize LoRA-Peft to significantly reduce trainable parameters in the LLM and incorporate recent linear attention dropping strategy in the Vision Transformer(ViT) for smoother attention. Furthermore, we provide novel multimodal attention explanations and retrieval for our model. To the best of our knowledge, we are the first to propose an integrated model that combines X-ray, ECG, and Radiology/Cardiology Report with this approach. By utilizing contrastive loss, MoRE effectively aligns modality-specific features into a coherent embedding, which supports various downstream tasks such as zero-shot classification and multimodal retrieval. Employing our proposed methodology, we achieve state-of-the-art (SOTA) on the Mimic-IV, CheXpert, Edema Severity, and PtbXl downstream datasets, surpassing existing multimodal approaches. Our proposed framework shows significant improvements in capturing intricate inter-modal relationships and its robustness in medical diagnosis that establishes a framework for future research in multimodal learning in the healthcare sector.

This large scale study focuses on quantifying what X-rays diagnostic prediction tasks generalize well across multiple different datasets. We present evidence that the issue of generalization is not due to a shift in the images but instead a shift in the labels. We study the cross-domain performance, agreement between models, and model representations. We find interesting discrepancies between performance and agreement where models which both achieve good performance disagree in their predictions as well as models which agree yet achieve poor performance. We also test for concept similarity by regularizing a network to group tasks across multiple datasets together and observe variation across the tasks. All code is made available online and data is publicly available: https://github.com/mlmed/torchxrayvision

We introduce Synthetic Alignment data Generation for Safety Evaluation and Red Teaming (SAGE-RT or SAGE) a novel pipeline for generating synthetic alignment and red-teaming data. Existing methods fall short in creating nuanced and diverse datasets, providing necessary control over the data generation and validation processes, or require large amount of manually generated seed data. SAGE addresses these limitations by using a detailed taxonomy to produce safety-alignment and red-teaming data across a wide range of topics. We generated 51,000 diverse and in-depth prompt-response pairs, encompassing over 1,500 topics of harmfulness and covering variations of the most frequent types of jailbreaking prompts faced by large language models (LLMs). We show that the red-teaming data generated through SAGE jailbreaks state-of-the-art LLMs in more than 27 out of 32 sub-categories, and in more than 58 out of 279 leaf-categories (sub-sub categories). The attack success rate for GPT-4o, GPT-3.5-turbo is 100% over the sub-categories of harmfulness. Our approach avoids the pitfalls of synthetic safety-training data generation such as mode collapse and lack of nuance in the generation pipeline by ensuring a detailed coverage of harmful topics using iterative expansion of the topics and conditioning the outputs on the generated raw-text. This method can be used to generate red-teaming and alignment data for LLM Safety completely synthetically to make LLMs safer or for red-teaming the models over a diverse range of topics.

The sparsity of labelled data is an obstacle to the development of Relation Extraction models and the completion of databases in various biomedical areas. While being of high interest in drug-discovery, the natural-products literature, reporting the identification of potential bioactive compounds from organisms, is a concrete example of such an overlooked topic. To mark the start of this new task, we created the first curated evaluation dataset and extracted literature items from the LOTUS database to build training sets. To this end, we developed a new sampler inspired by diversity metrics in ecology, named Greedy Maximum Entropy sampler, or GME-sampler (https://github.com/idiap/gme-sampler). The strategic optimization of both balance and diversity of the selected items in the evaluation set is important given the resource-intensive nature of manual curation. After quantifying the noise in the training set, in the form of discrepancies between the input abstracts text and the expected output labels, we explored different strategies accordingly. Framing the task as an end-to-end Relation Extraction, we evaluated the performance of standard fine-tuning as a generative task and few-shot learning with open Large Language Models (LLaMA 7B-65B). In addition to their evaluation in few-shot settings, we explore the potential of open Large Language Models (Vicuna-13B) as synthetic data generator and propose a new workflow for this purpose. All evaluated models exhibited substantial improvements when fine-tuned on synthetic abstracts rather than the original noisy data. We provide our best performing (f1-score=59.0) BioGPT-Large model for end-to-end RE of natural-products relationships along with all the generated synthetic data and the evaluation dataset. See more details at https://github.com/idiap/abroad-re.

Most existing datasets for sound event recognition (SER) are relatively small and/or domain-specific, with the exception of AudioSet, based on over 2M tracks from YouTube videos and encompassing over 500 sound classes. However, AudioSet is not an open dataset as its official release consists of pre-computed audio features. Downloading the original audio tracks can be problematic due to YouTube videos gradually disappearing and usage rights issues. To provide an alternative benchmark dataset and thus foster SER research, we introduce FSD50K, an open dataset containing over 51k audio clips totalling over 100h of audio manually labeled using 200 classes drawn from the AudioSet Ontology. The audio clips are licensed under Creative Commons licenses, making the dataset freely distributable (including waveforms). We provide a detailed description of the FSD50K creation process, tailored to the particularities of Freesound data, including challenges encountered and solutions adopted. We include a comprehensive dataset characterization along with discussion of limitations and key factors to allow its audio-informed usage. Finally, we conduct sound event classification experiments to provide baseline systems as well as insight on the main factors to consider when splitting Freesound audio data for SER. Our goal is to develop a dataset to be widely adopted by the community as a new open benchmark for SER research.

Cluster analysis relies on effective benchmarks for evaluating and comparing different algorithms. Simulation studies on synthetic data are popular because important features of the data sets, such as the overlap between clusters, or the variation in cluster shapes, can be effectively varied. Unfortunately, creating evaluation scenarios is often laborious, as practitioners must translate higher-level scenario descriptions like "clusters with very different shapes" into lower-level geometric parameters such as cluster centers, covariance matrices, etc. To make benchmarks more convenient and informative, we propose synthetic data generation based on direct specification of high-level scenarios, either through verbal descriptions or high-level geometric parameters. Our open-source Python package repliclust implements this workflow, making it easy to set up interpretable and reproducible benchmarks for cluster analysis. A demo of data generation from verbal inputs is available at https://demo.repliclust.org.

The scaling laws and extraordinary performance of large foundation models motivate the development and utilization of such models in biomedicine. However, despite early promising results on some biomedical benchmarks, there are still major challenges that need to be addressed before these models can be used in real-world clinics. Frontier general-domain models such as GPT-4V still have significant performance gaps in multimodal biomedical applications. More importantly, less-acknowledged pragmatic issues, including accessibility, model cost, and tedious manual evaluation make it hard for clinicians to use state-of-the-art large models directly on private patient data. Here, we explore training open-source small multimodal models (SMMs) to bridge competency gaps for unmet clinical needs in radiology. To maximize data efficiency, we adopt a modular approach by incorporating state-of-the-art pre-trained models for image and text modalities, and focusing on training a lightweight adapter to ground each modality to the text embedding space, as exemplified by LLaVA-Med. For training, we assemble a large dataset of over 697 thousand radiology image-text pairs. For evaluation, we propose CheXprompt, a GPT-4-based metric for factuality evaluation, and demonstrate its parity with expert evaluation. For best practice, we conduct a systematic ablation study on various choices in data engineering and multimodal training. The resulting LlaVA-Rad (7B) model attains state-of-the-art results on standard radiology tasks such as report generation and cross-modal retrieval, even outperforming much larger models such as GPT-4V and Med-PaLM M (84B). The inference of LlaVA-Rad is fast and can be performed on a single V100 GPU in private settings, offering a promising state-of-the-art tool for real-world clinical applications.

In this paper, we provide 20,000 non-trivial human annotations on popular datasets as a first step to bridge gap to studying how natural semantic spurious features affect image classification, as prior works often study datasets mixing low-level features due to limitations in accessing realistic datasets. We investigate how natural background colors play a role as spurious features by annotating the test sets of CIFAR10 and CIFAR100 into subgroups based on the background color of each image. We name our datasets CIFAR10-B and CIFAR100-B and integrate them with CIFAR-Cs. We find that overall human-level accuracy does not guarantee consistent subgroup performances, and the phenomenon remains even on models pre-trained on ImageNet or after data augmentation (DA). To alleviate this issue, we propose FlowAug, a semantic DA that leverages decoupled semantic representations captured by a pre-trained generative flow. Experimental results show that FlowAug achieves more consistent subgroup results than other types of DA methods on CIFAR10/100 and on CIFAR10/100-C. Additionally, it shows better generalization performance. Furthermore, we propose a generic metric, MacroStd, for studying model robustness to spurious correlations, where we take a macro average on the weighted standard deviations across different classes. We show MacroStd being more predictive of better performances; per our metric, FlowAug demonstrates improvements on subgroup discrepancy. Although this metric is proposed to study our curated datasets, it applies to all datasets that have subgroups or subclasses. Lastly, we also show superior out-of-distribution results on CIFAR10.1.

In this paper, we present MusPy, an open source Python library for symbolic music generation. MusPy provides easy-to-use tools for essential components in a music generation system, including dataset management, data I/O, data preprocessing and model evaluation. In order to showcase its potential, we present statistical analysis of the eleven datasets currently supported by MusPy. Moreover, we conduct a cross-dataset generalizability experiment by training an autoregressive model on each dataset and measuring held-out likelihood on the others---a process which is made easier by MusPy's dataset management system. The results provide a map of domain overlap between various commonly used datasets and show that some datasets contain more representative cross-genre samples than others. Along with the dataset analysis, these results might serve as a guide for choosing datasets in future research. Source code and documentation are available at https://github.com/salu133445/muspy .

Click-through rate (CTR) prediction is a critical task for many applications, as its accuracy has a direct impact on user experience and platform revenue. In recent years, CTR prediction has been widely studied in both academia and industry, resulting in a wide variety of CTR prediction models. Unfortunately, there is still a lack of standardized benchmarks and uniform evaluation protocols for CTR prediction research. This leads to non-reproducible or even inconsistent experimental results among existing studies, which largely limits the practical value and potential impact of their research. In this work, we aim to perform open benchmarking for CTR prediction and present a rigorous comparison of different models in a reproducible manner. To this end, we ran over 7,000 experiments for more than 12,000 GPU hours in total to re-evaluate 24 existing models on multiple datasets and settings. Surprisingly, our experiments show that with sufficient hyper-parameter search and model tuning, many deep models have smaller differences than expected. The results also reveal that making real progress on the modeling of CTR prediction is indeed a very challenging research task. We believe that our benchmarking work could not only allow researchers to gauge the effectiveness of new models conveniently but also make them fairly compare with the state of the arts. We have publicly released the benchmarking code, evaluation protocols, and hyper-parameter settings of our work to promote reproducible research in this field.

This paper revisits datasets and evaluation criteria for Symbolic Regression, a task of expressing given data using mathematical equations, specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on Physics, we recreate 120 datasets to discuss the performance of symbolic regression for scientific discovery (SRSD). For each of the 120 SRSD datasets, we carefully review the properties of the formula and its variables to design reasonably realistic sampling range of values so that our new SRSD datasets can be used for evaluating the potential of SRSD such as whether or not an SR method can (re)discover physical laws from such datasets. As an evaluation metric, we also propose to use normalized edit distances between a predicted equation and the ground-truth equation trees. While existing metrics are either binary or errors between the target values and an SR model's predicted values for a given input, normalized edit distances evaluate a sort of similarity between the ground-truth and predicted equation trees. We have conducted experiments on our new SRSD datasets using five state-of-the-art SR methods in SRBench and a simple baseline based on a recent Transformer architecture. The results show that we provide a more realistic performance evaluation and open up a new machine learning-based approach for scientific discovery. Our datasets and code repository are publicly available.

In this paper, we propose a new class of metric for table structure recognition (TSR) evaluation, called grid table similarity (GriTS). Unlike prior metrics, GriTS evaluates the correctness of a predicted table directly in its natural form as a matrix. To create a similarity measure between matrices, we generalize the two-dimensional largest common substructure (2D-LCS) problem, which is NP-hard, to the 2D most similar substructures (2D-MSS) problem and propose a polynomial-time heuristic for solving it. This algorithm produces both an upper and a lower bound on the true similarity between matrices. We show using evaluation on a large real-world dataset that in practice there is almost no difference between these bounds. We compare GriTS to other metrics and empirically validate that matrix similarity exhibits more desirable behavior than alternatives for TSR performance evaluation. Finally, GriTS unifies all three subtasks of cell topology recognition, cell location recognition, and cell content recognition within the same framework, which simplifies the evaluation and enables more meaningful comparisons across different types of TSR approaches. Code will be released at https://github.com/microsoft/table-transformer.

This research delves into the construction and utilization of synthetic datasets, specifically within the telematics sphere, leveraging OpenAI's powerful language model, ChatGPT. Synthetic datasets present an effective solution to challenges pertaining to data privacy, scarcity, and control over variables - characteristics that make them particularly valuable for research pursuits. The utility of these datasets, however, largely depends on their quality, measured through the lenses of diversity, relevance, and coherence. To illustrate this data creation process, a hands-on case study is conducted, focusing on the generation of a synthetic telematics dataset. The experiment involved an iterative guidance of ChatGPT, progressively refining prompts and culminating in the creation of a comprehensive dataset for a hypothetical urban planning scenario in Columbus, Ohio. Upon generation, the synthetic dataset was subjected to an evaluation, focusing on the previously identified quality parameters and employing descriptive statistics and visualization techniques for a thorough analysis. Despite synthetic datasets not serving as perfect replacements for actual world data, their potential in specific use-cases, when executed with precision, is significant. This research underscores the potential of AI models like ChatGPT in enhancing data availability for complex sectors like telematics, thus paving the way for a myriad of new research opportunities.

Given a query consisting of a reference image and a relative caption, Composed Image Retrieval (CIR) aims to retrieve target images visually similar to the reference one while incorporating the changes specified in the relative caption. The reliance of supervised methods on labor-intensive manually labeled datasets hinders their broad applicability. In this work, we introduce a new task, Zero-Shot CIR (ZS-CIR), that addresses CIR without the need for a labeled training dataset. We propose an approach named iSEARLE (improved zero-Shot composEd imAge Retrieval with textuaL invErsion) that involves mapping the visual information of the reference image into a pseudo-word token in CLIP token embedding space and combining it with the relative caption. To foster research on ZS-CIR, we present an open-domain benchmarking dataset named CIRCO (Composed Image Retrieval on Common Objects in context), the first CIR dataset where each query is labeled with multiple ground truths and a semantic categorization. The experimental results illustrate that iSEARLE obtains state-of-the-art performance on three different CIR datasets -- FashionIQ, CIRR, and the proposed CIRCO -- and two additional evaluation settings, namely domain conversion and object composition. The dataset, the code, and the model are publicly available at https://github.com/miccunifi/SEARLE.

Text-to-image models are trained using large datasets collected by scraping image-text pairs from the internet. These datasets often include private, copyrighted, and licensed material. Training models on such datasets enables them to generate images with such content, which might violate copyright laws and individual privacy. This phenomenon is termed imitation -- generation of images with content that has recognizable similarity to its training images. In this work we study the relationship between a concept's frequency in the training dataset and the ability of a model to imitate it. We seek to determine the point at which a model was trained on enough instances to imitate a concept -- the imitation threshold. We posit this question as a new problem: Finding the Imitation Threshold (FIT) and propose an efficient approach that estimates the imitation threshold without incurring the colossal cost of training multiple models from scratch. We experiment with two domains -- human faces and art styles -- for which we create four datasets, and evaluate three text-to-image models which were trained on two pretraining datasets. Our results reveal that the imitation threshold of these models is in the range of 200-600 images, depending on the domain and the model. The imitation threshold can provide an empirical basis for copyright violation claims and acts as a guiding principle for text-to-image model developers that aim to comply with copyright and privacy laws. We release the code and data at https://github.com/vsahil/MIMETIC-2.git and the project's website is hosted at https://how-many-van-goghs-does-it-take.github.io.

Accurately quantifying tree cover is an important metric for ecosystem monitoring and for assessing progress in restored sites. Recent works have shown that deep learning-based segmentation algorithms are capable of accurately mapping trees at country and continental scales using high-resolution aerial and satellite imagery. Mapping at high (ideally sub-meter) resolution is necessary to identify individual trees, however there are few open-access datasets containing instance level annotations and those that exist are small or not geographically diverse. We present a novel open-access dataset for individual tree crown delineation (TCD) in high-resolution aerial imagery sourced from OpenAerialMap (OAM). Our dataset, OAM-TCD, comprises 5072 2048x2048 px images at 10 cm/px resolution with associated human-labeled instance masks for over 280k individual and 56k groups of trees. By sampling imagery from around the world, we are able to better capture the diversity and morphology of trees in different terrestrial biomes and in both urban and natural environments. Using our dataset, we train reference instance and semantic segmentation models that compare favorably to existing state-of-the-art models. We assess performance through k-fold cross-validation and comparison with existing datasets; additionally we demonstrate compelling results on independent aerial imagery captured over Switzerland and compare to municipal tree inventories and LIDAR-derived canopy maps in the city of Zurich. Our dataset, models and training/benchmark code are publicly released under permissive open-source licenses: Creative Commons (majority CC BY 4.0), and Apache 2.0 respectively.

The eXtreme Multi-label Classification~(XMC) problem seeks to find relevant labels from an exceptionally large label space. Most of the existing XMC learners focus on the extraction of semantic features from input query text. However, conventional XMC studies usually neglect the side information of instances and labels, which can be of use in many real-world applications such as recommendation systems and e-commerce product search. We propose Predicted Instance Neighborhood Aggregation (PINA), a data enhancement method for the general XMC problem that leverages beneficial side information. Unlike most existing XMC frameworks that treat labels and input instances as featureless indicators and independent entries, PINA extracts information from the label metadata and the correlations among training instances. Extensive experimental results demonstrate the consistent gain of PINA on various XMC tasks compared to the state-of-the-art methods: PINA offers a gain in accuracy compared to standard XR-Transformers on five public benchmark datasets. Moreover, PINA achieves a sim 5% gain in accuracy on the largest dataset LF-AmazonTitles-1.3M. Our implementation is publicly available.

We consider the clone detection and information retrieval problems for source code, well-known tasks important for any programming language. Although it is also an important and interesting problem to find code snippets that operate identically but are written in different programming languages, to the best of our knowledge multilingual clone detection has not been studied in literature. In this work, we formulate the multilingual clone detection problem and present XCD, a new benchmark dataset produced from the CodeForces submissions dataset. Moreover, we present a novel training procedure, called cross-consistency training (CCT), that we apply to train language models on source code in different programming languages. The resulting CCT-LM model, initialized with GraphCodeBERT and fine-tuned with CCT, achieves new state of the art, outperforming existing approaches on the POJ-104 clone detection benchmark with 95.67\% MAP and AdvTest code search benchmark with 47.18\% MRR; it also shows the best results on the newly created multilingual clone detection benchmark XCD across all programming languages.

Dataset distillation synthesizes a small set of images from a large-scale real dataset such that synthetic and real images share similar behavioral properties (e.g, distributions of gradients or features) during a training process. Through extensive analyses on current methods and real datasets, together with empirical observations, we provide in this paper two important things to share for dataset distillation. First, object parts that appear on one side of a real image are highly likely to appear on the opposite side of another image within a dataset, which we call the bilateral equivalence. Second, the bilateral equivalence enforces synthetic images to duplicate discriminative parts of objects on both the left and right sides of the images, limiting the recognition of subtle differences between objects. To address this problem, we introduce a surprisingly simple yet effective technique for dataset distillation, dubbed FYI, that enables distilling rich semantics of real images into synthetic ones. To this end, FYI embeds a horizontal flipping technique into distillation processes, mitigating the influence of the bilateral equivalence, while capturing more details of objects. Experiments on CIFAR-10/100, Tiny-ImageNet, and ImageNet demonstrate that FYI can be seamlessly integrated into several state-of-the-art methods, without modifying training objectives and network architectures, and it improves the performance remarkably.

New classes arise frequently in our ever-changing world, e.g., emerging topics in social media and new types of products in e-commerce. A model should recognize new classes and meanwhile maintain discriminability over old classes. Under severe circumstances, only limited novel instances are available to incrementally update the model. The task of recognizing few-shot new classes without forgetting old classes is called few-shot class-incremental learning (FSCIL). In this work, we propose a new paradigm for FSCIL based on meta-learning by LearnIng Multi-phase Incremental Tasks (LIMIT), which synthesizes fake FSCIL tasks from the base dataset. The data format of fake tasks is consistent with the `real' incremental tasks, and we can build a generalizable feature space for the unseen tasks through meta-learning. Besides, LIMIT also constructs a calibration module based on transformer, which calibrates the old class classifiers and new class prototypes into the same scale and fills in the semantic gap. The calibration module also adaptively contextualizes the instance-specific embedding with a set-to-set function. LIMIT efficiently adapts to new classes and meanwhile resists forgetting over old classes. Experiments on three benchmark datasets (CIFAR100, miniImageNet, and CUB200) and large-scale dataset, i.e., ImageNet ILSVRC2012 validate that LIMIT achieves state-of-the-art performance.

Molecule discovery serves as a cornerstone in numerous scientific domains, fueling the development of new materials and innovative drug designs. Recent developments of in-silico molecule discovery have highlighted the promising results of cross-modal techniques, which bridge molecular structures with their descriptive annotations. However, these cross-modal methods frequently encounter the issue of data scarcity, hampering their performance and application. In this paper, we address the low-resource challenge by utilizing artificially-real data generated by Large Language Models (LLMs). We first introduce a retrieval-based prompting strategy to construct high-quality pseudo data, then explore the optimal method to effectively leverage this pseudo data. Experiments show that using pseudo data for domain adaptation outperforms all existing methods, while also requiring a smaller model scale, reduced data size and lower training cost, highlighting its efficiency. Furthermore, our method shows a sustained improvement as the volume of pseudo data increases, revealing the great potential of pseudo data in advancing low-resource cross-modal molecule discovery.

The development of vision-language models (VLMs) is driven by large-scale and diverse multimodal datasets. However, progress toward generalist biomedical VLMs is limited by the lack of annotated, publicly accessible datasets across biology and medicine. Existing efforts are restricted to narrow domains, missing the full diversity of biomedical knowledge encoded in scientific literature. To address this gap, we introduce BIOMEDICA, a scalable, open-source framework to extract, annotate, and serialize the entirety of the PubMed Central Open Access subset into an easy-to-use, publicly accessible dataset.Our framework produces a comprehensive archive with over 24 million unique image-text pairs from over 6 million articles. Metadata and expert-guided annotations are also provided. We demonstrate the utility and accessibility of our resource by releasing BMCA-CLIP, a suite of CLIP-style models continuously pre-trained on the BIOMEDICA dataset via streaming, eliminating the need to download 27 TB of data locally.On average, our models achieve state-of-the-art performance across 40 tasks - spanning pathology, radiology, ophthalmology, dermatology, surgery, molecular biology, parasitology, and cell biology - excelling in zero-shot classification with a 6.56% average improvement (as high as 29.8% and 17.5% in dermatology and ophthalmology, respectively), and stronger image-text retrieval, all while using 10x less compute. To foster reproducibility and collaboration, we release our codebase and dataset for the broader research community.

Modeling user interfaces (UIs) from visual information allows systems to make inferences about the functionality and semantics needed to support use cases in accessibility, app automation, and testing. Current datasets for training machine learning models are limited in size due to the costly and time-consuming process of manually collecting and annotating UIs. We crawled the web to construct WebUI, a large dataset of 400,000 rendered web pages associated with automatically extracted metadata. We analyze the composition of WebUI and show that while automatically extracted data is noisy, most examples meet basic criteria for visual UI modeling. We applied several strategies for incorporating semantics found in web pages to increase the performance of visual UI understanding models in the mobile domain, where less labeled data is available: (i) element detection, (ii) screen classification and (iii) screen similarity.

Objective: Patient notes in electronic health records (EHRs) may contain critical information for medical investigations. However, the vast majority of medical investigators can only access de-identified notes, in order to protect the confidentiality of patients. In the United States, the Health Insurance Portability and Accountability Act (HIPAA) defines 18 types of protected health information (PHI) that needs to be removed to de-identify patient notes. Manual de-identification is impractical given the size of EHR databases, the limited number of researchers with access to the non-de-identified notes, and the frequent mistakes of human annotators. A reliable automated de-identification system would consequently be of high value. Materials and Methods: We introduce the first de-identification system based on artificial neural networks (ANNs), which requires no handcrafted features or rules, unlike existing systems. We compare the performance of the system with state-of-the-art systems on two datasets: the i2b2 2014 de-identification challenge dataset, which is the largest publicly available de-identification dataset, and the MIMIC de-identification dataset, which we assembled and is twice as large as the i2b2 2014 dataset. Results: Our ANN model outperforms the state-of-the-art systems. It yields an F1-score of 97.85 on the i2b2 2014 dataset, with a recall 97.38 and a precision of 97.32, and an F1-score of 99.23 on the MIMIC de-identification dataset, with a recall 99.25 and a precision of 99.06. Conclusion: Our findings support the use of ANNs for de-identification of patient notes, as they show better performance than previously published systems while requiring no feature engineering.

Dataset summarisation is a fruitful approach to dataset inspection. However, when applied to a single dataset the discovery of visual concepts is restricted to those most prominent. We argue that a comparative approach can expand upon this paradigm to enable richer forms of dataset inspection that go beyond the most prominent concepts. To enable dataset comparison we present a module that learns concept-level prototypes across datasets. We leverage self-supervised learning to discover these prototypes without supervision, and we demonstrate the benefits of our approach in two case-studies. Our findings show that dataset comparison extends dataset inspection and we hope to encourage more works in this direction. Code and usage instructions available at https://github.com/Nanne/ProtoSim

Data collected from the real world tends to be biased, unbalanced, and at risk of exposing sensitive and private information. This reality has given rise to the idea of creating synthetic datasets to alleviate risk, bias, harm, and privacy concerns inherent in the real data. This concept relies on Generative AI models to produce unbiased, privacy-preserving synthetic data while being true to the real data. In this new paradigm, how can we tell if this approach delivers on its promises? We present an auditing framework that offers a holistic assessment of synthetic datasets and AI models trained on them, centered around bias and discrimination prevention, fidelity to the real data, utility, robustness, and privacy preservation. We showcase our framework by auditing multiple generative models on diverse use cases, including education, healthcare, banking, human resources, and across different modalities, from tabular, to time-series, to natural language. Our use cases demonstrate the importance of a holistic assessment in order to ensure compliance with socio-technical safeguards that regulators and policymakers are increasingly enforcing. For this purpose, we introduce the trust index that ranks multiple synthetic datasets based on their prescribed safeguards and their desired trade-offs. Moreover, we devise a trust-index-driven model selection and cross-validation procedure via auditing in the training loop that we showcase on a class of transformer models that we dub TrustFormers, across different modalities. This trust-driven model selection allows for controllable trust trade-offs in the resulting synthetic data. We instrument our auditing framework with workflows that connect different stakeholders from model development to audit and certification via a synthetic data auditing report.

Large language models are increasingly becoming a cornerstone technology in artificial intelligence, the sciences, and society as a whole, yet the optimal strategies for dataset composition and filtering remain largely elusive. Many of the top-performing models lack transparency in their dataset curation and model development processes, posing an obstacle to the development of fully open language models. In this paper, we identify three core data-related challenges that must be addressed to advance open-source language models. These include (1) transparency in model development, including the data curation process, (2) access to large quantities of high-quality data, and (3) availability of artifacts and metadata for dataset curation and analysis. To address these challenges, we release RedPajama-V1, an open reproduction of the LLaMA training dataset. In addition, we release RedPajama-V2, a massive web-only dataset consisting of raw, unfiltered text data together with quality signals and metadata. Together, the RedPajama datasets comprise over 100 trillion tokens spanning multiple domains and with their quality signals facilitate the filtering of data, aiming to inspire the development of numerous new datasets. To date, these datasets have already been used in the training of strong language models used in production, such as Snowflake Arctic, Salesforce's XGen and AI2's OLMo. To provide insight into the quality of RedPajama, we present a series of analyses and ablation studies with decoder-only language models with up to 1.6B parameters. Our findings demonstrate how quality signals for web data can be effectively leveraged to curate high-quality subsets of the dataset, underscoring the potential of RedPajama to advance the development of transparent and high-performing language models at scale.

Training large vision-language models requires extensive, high-quality image-text pairs. Existing web-scraped datasets, however, are noisy and lack detailed image descriptions. To bridge this gap, we introduce PixelProse, a comprehensive dataset of over 16M (million) synthetically generated captions, leveraging cutting-edge vision-language models for detailed and accurate descriptions. To ensure data integrity, we rigorously analyze our dataset for problematic content, including child sexual abuse material (CSAM), personally identifiable information (PII), and toxicity. We also provide valuable metadata such as watermark presence and aesthetic scores, aiding in further dataset filtering. We hope PixelProse will be a valuable resource for future vision-language research. PixelProse is available at https://huggingface.co/datasets/tomg-group-umd/pixelprose

Composed Image Retrieval (CoIR) has recently gained popularity as a task that considers both text and image queries together, to search for relevant images in a database. Most CoIR approaches require manually annotated datasets, comprising image-text-image triplets, where the text describes a modification from the query image to the target image. However, manual curation of CoIR triplets is expensive and prevents scalability. In this work, we instead propose a scalable automatic dataset creation methodology that generates triplets given video-caption pairs, while also expanding the scope of the task to include composed video retrieval (CoVR). To this end, we mine paired videos with a similar caption from a large database, and leverage a large language model to generate the corresponding modification text. Applying this methodology to the extensive WebVid2M collection, we automatically construct our WebVid-CoVR dataset, resulting in 1.6 million triplets. Moreover, we introduce a new benchmark for CoVR with a manually annotated evaluation set, along with baseline results. Our experiments further demonstrate that training a CoVR model on our dataset effectively transfers to CoIR, leading to improved state-of-the-art performance in the zero-shot setup on both the CIRR and FashionIQ benchmarks. Our code, datasets, and models are publicly available at https://imagine.enpc.fr/~ventural/covr.

Pretraining data selection has the potential to improve language model pretraining efficiency by utilizing higher-quality data from massive web data corpora. Current data selection methods, which rely on either hand-crafted rules or larger reference models, are conducted statically and do not capture the evolving data preferences during pretraining. In this paper, we introduce model-aware data selection with data influence models (MATES), where a data influence model continuously adapts to the evolving data preferences of the pretraining model and then selects the data most effective for the current pretraining progress. Specifically, we fine-tune a small data influence model to approximate oracle data preference signals collected by locally probing the pretraining model and to select data accordingly for the next pretraining stage. Experiments on Pythia and the C4 dataset demonstrate that MATES significantly outperforms random data selection on extensive downstream tasks in both zero- and few-shot settings. It doubles the gains achieved by recent data selection approaches that leverage larger reference models and reduces the total FLOPs required to reach certain performances by half. Further analysis validates the ever-changing data preferences of pretraining models and the effectiveness of our data influence models to capture them. Our code is open-sourced at https://github.com/cxcscmu/MATES.

Large Language Models (LLMs) have become ubiquitous across various domains, transforming the way we interact with information and conduct research. However, most high-performing LLMs remain confined behind proprietary walls, hindering scientific progress. Most open-source LLMs, on the other hand, are limited in their ability to support longer sequence lengths, which is a key requirement for many tasks that require inference over an input context. To address this, we have trained XGen, a series of 7B parameter models on up to 8K sequence length for up to 1.5T tokens. We have also finetuned the XGen models on public-domain instructional data, creating their instruction-tuned counterparts (XGen-Inst). We open-source our models for both research advancements and commercial applications. Our evaluation on standard benchmarks shows that XGen models achieve comparable or better results when compared with state-of-the-art open-source LLMs. Our targeted evaluation on long sequence modeling tasks shows the benefits of our 8K-sequence models over 2K-sequence open-source LLMs.

Prediction sets capture uncertainty by predicting sets of labels rather than individual labels, enabling downstream decisions to conservatively account for all plausible outcomes. Conformal inference algorithms construct prediction sets guaranteed to contain the true label with high probability. These guarantees fail to hold in the face of distribution shift, which is precisely when reliable uncertainty quantification can be most useful. We propose a novel algorithm for constructing prediction sets with PAC guarantees in the label shift setting. This method estimates the predicted probabilities of the classes in a target domain, as well as the confusion matrix, then propagates uncertainty in these estimates through a Gaussian elimination algorithm to compute confidence intervals for importance weights. Finally, it uses these intervals to construct prediction sets. We evaluate our approach on five datasets: the CIFAR-10, ChestX-Ray and Entity-13 image datasets, the tabular CDC Heart dataset, and the AGNews text dataset. Our algorithm satisfies the PAC guarantee while producing smaller, more informative, prediction sets compared to several baselines.

Table Detection has become a fundamental task for visually rich document understanding with the surging number of electronic documents. However, popular public datasets widely used in related studies have inherent limitations, including noisy and inconsistent samples, limited training samples, and limited data sources. These limitations make these datasets unreliable to evaluate the model performance and cannot reflect the actual capacity of models. Therefore, this study revisits some open datasets with high-quality annotations, identifies and cleans the noise, and aligns the annotation definitions of these datasets to merge a larger dataset, termed Open-Tables. Moreover, to enrich the data sources, we propose a new ICT-TD dataset using the PDF files of Information and Communication Technologies (ICT) commodities, a different domain containing unique samples that hardly appear in open datasets. To ensure the label quality of the dataset, we annotated the dataset manually following the guidance of a domain expert. The proposed dataset is challenging and can be a sample of actual cases in the business context. We built strong baselines using various state-of-the-art object detection models. Our experimental results show that the domain differences among existing open datasets are minor despite having different data sources. Our proposed Open-Tables and ICT-TD can provide a more reliable evaluation for models because of their high quality and consistent annotations. Besides, they are more suitable for cross-domain settings. Our experimental results show that in the cross-domain setting, benchmark models trained with cleaned Open-Tables dataset can achieve 0.6\%-2.6\% higher weighted average F1 than the corresponding ones trained with the noisy version of Open-Tables, demonstrating the reliability of the proposed datasets. The datasets are public available.

We study the XAI (explainable AI) on the face recognition task, particularly the face verification here. Face verification is a crucial task in recent days and it has been deployed to plenty of applications, such as access control, surveillance, and automatic personal log-on for mobile devices. With the increasing amount of data, deep convolutional neural networks can achieve very high accuracy for the face verification task. Beyond exceptional performances, deep face verification models need more interpretability so that we can trust the results they generate. In this paper, we propose a novel similarity metric, called explainable cosine (xCos), that comes with a learnable module that can be plugged into most of the verification models to provide meaningful explanations. With the help of xCos, we can see which parts of the two input faces are similar, where the model pays its attention to, and how the local similarities are weighted to form the output xCos score. We demonstrate the effectiveness of our proposed method on LFW and various competitive benchmarks, resulting in not only providing novel and desiring model interpretability for face verification but also ensuring the accuracy as plugging into existing face recognition models.

Image-Text matching (ITM) is a common task for evaluating the quality of Vision and Language (VL) models. However, existing ITM benchmarks have a significant limitation. They have many missing correspondences, originating from the data construction process itself. For example, a caption is only matched with one image although the caption can be matched with other similar images and vice versa. To correct the massive false negatives, we construct the Extended COCO Validation (ECCV) Caption dataset by supplying the missing associations with machine and human annotators. We employ five state-of-the-art ITM models with diverse properties for our annotation process. Our dataset provides x3.6 positive image-to-caption associations and x8.5 caption-to-image associations compared to the original MS-COCO. We also propose to use an informative ranking-based metric mAP@R, rather than the popular Recall@K (R@K). We re-evaluate the existing 25 VL models on existing and proposed benchmarks. Our findings are that the existing benchmarks, such as COCO 1K R@K, COCO 5K R@K, CxC R@1 are highly correlated with each other, while the rankings change when we shift to the ECCV mAP@R. Lastly, we delve into the effect of the bias introduced by the choice of machine annotator. Source code and dataset are available at https://github.com/naver-ai/eccv-caption

Role-playing language agents (RPLAs) have emerged as promising applications of large language models (LLMs). However, simulating established characters presents a challenging task for RPLAs, due to the lack of authentic character datasets and nuanced evaluation methods using such data. In this paper, we present CoSER, a collection of a high-quality dataset, open models, and an evaluation protocol towards effective RPLAs of established characters. The CoSER dataset covers 17,966 characters from 771 renowned books. It provides authentic dialogues with real-world intricacies, as well as diverse data types such as conversation setups, character experiences and internal thoughts. Drawing from acting methodology, we introduce given-circumstance acting for training and evaluating role-playing LLMs, where LLMs sequentially portray multiple characters in book scenes. Using our dataset, we develop CoSER 8B and CoSER 70B, i.e., advanced open role-playing LLMs built on LLaMA-3.1 models. Extensive experiments demonstrate the value of the CoSER dataset for RPLA training, evaluation and retrieval. Moreover, CoSER 70B exhibits state-of-the-art performance surpassing or matching GPT-4o on our evaluation and three existing benchmarks, i.e., achieving 75.80% and 93.47% accuracy on the InCharacter and LifeChoice benchmarks respectively.

The ultimate goal of Dataset Distillation is to synthesize a small synthetic dataset such that a model trained on this synthetic set will perform equally well as a model trained on the full, real dataset. Until now, no method of Dataset Distillation has reached this completely lossless goal, in part due to the fact that previous methods only remain effective when the total number of synthetic samples is extremely small. Since only so much information can be contained in such a small number of samples, it seems that to achieve truly loss dataset distillation, we must develop a distillation method that remains effective as the size of the synthetic dataset grows. In this work, we present such an algorithm and elucidate why existing methods fail to generate larger, high-quality synthetic sets. Current state-of-the-art methods rely on trajectory-matching, or optimizing the synthetic data to induce similar long-term training dynamics as the real data. We empirically find that the training stage of the trajectories we choose to match (i.e., early or late) greatly affects the effectiveness of the distilled dataset. Specifically, early trajectories (where the teacher network learns easy patterns) work well for a low-cardinality synthetic set since there are fewer examples wherein to distribute the necessary information. Conversely, late trajectories (where the teacher network learns hard patterns) provide better signals for larger synthetic sets since there are now enough samples to represent the necessary complex patterns. Based on our findings, we propose to align the difficulty of the generated patterns with the size of the synthetic dataset. In doing so, we successfully scale trajectory matching-based methods to larger synthetic datasets, achieving lossless dataset distillation for the very first time. Code and distilled datasets are available at https://gzyaftermath.github.io/DATM.

We present a new challenging dataset, CPPE - 5 (Medical Personal Protective Equipment), with the goal to allow the study of subordinate categorization of medical personal protective equipments, which is not possible with other popular data sets that focus on broad-level categories (such as PASCAL VOC, ImageNet, Microsoft COCO, OpenImages, etc). To make it easy for models trained on this dataset to be used in practical scenarios in complex scenes, our dataset mainly contains images that show complex scenes with several objects in each scene in their natural context. The image collection for this dataset focuses on: obtaining as many non-iconic images as possible and making sure all the images are real-life images, unlike other existing datasets in this area. Our dataset includes 5 object categories (coveralls, face shields, gloves, masks, and goggles), and each image is annotated with a set of bounding boxes and positive labels. We present a detailed analysis of the dataset in comparison to other popular broad category datasets as well as datasets focusing on personal protective equipments, we also find that at present there exist no such publicly available datasets. Finally, we also analyze performance and compare model complexities on baseline and state-of-the-art models for bounding box results. Our code, data, and trained models are available at https://git.io/cppe5-dataset.

Curvilinear object segmentation plays a crucial role across various applications, yet datasets in this domain often suffer from small scale due to the high costs associated with data acquisition and annotation. To address these challenges, this paper introduces a novel approach for expanding curvilinear object segmentation datasets, focusing on enhancing the informativeness of generated data and the consistency between semantic maps and generated images. Our method enriches synthetic data informativeness by generating curvilinear objects through their multiple textual features. By combining textual features from each sample in original dataset, we obtain synthetic images that beyond the original dataset's distribution. This initiative necessitated the creation of the Curvilinear Object Segmentation based on Text Generation (COSTG) dataset. Designed to surpass the limitations of conventional datasets, COSTG incorporates not only standard semantic maps but also some textual descriptions of curvilinear object features. To ensure consistency between synthetic semantic maps and images, we introduce the Semantic Consistency Preserving ControlNet (SCP ControlNet). This involves an adaptation of ControlNet with Spatially-Adaptive Normalization (SPADE), allowing it to preserve semantic information that would typically be washed away in normalization layers. This modification facilitates more accurate semantic image synthesis. Experimental results demonstrate the efficacy of our approach across three types of curvilinear objects (angiography, crack and retina) and six public datasets (CHUAC, XCAD, DCA1, DRIVE, CHASEDB1 and Crack500). The synthetic data generated by our method not only expand the dataset, but also effectively improves the performance of other curvilinear object segmentation models. Source code and dataset are available at https://github.com/tanlei0/COSTG.

With the surge in available data from various modalities, there is a growing need to bridge the gap between different data types. In this work, we introduce a novel approach to learn cross-modal representations between image data and molecular representations for drug discovery. We propose EMM and IMM, two innovative loss functions built on top of CLIP that leverage weak supervision and cross sites replicates in High-Content Screening. Evaluating our model against known baseline on cross-modal retrieval, we show that our proposed approach allows to learn better representations and mitigate batch effect. In addition, we also present a preprocessing method for the JUMP-CP dataset that effectively reduce the required space from 85Tb to a mere usable 7Tb size, still retaining all perturbations and most of the information content.

Retrieval-augmented generation (RAG) helps address the limitations of the parametric knowledge embedded within a language model (LM). However, investigations of how LMs utilise retrieved information of varying complexity in real-world scenarios have been limited to synthetic contexts. We introduce DRUID (Dataset of Retrieved Unreliable, Insufficient and Difficult-to-understand contexts) with real-world queries and contexts manually annotated for stance. The dataset is based on the prototypical task of automated claim verification, for which automated retrieval of real-world evidence is crucial. We compare DRUID to synthetic datasets (CounterFact, ConflictQA) and find that artificial datasets often fail to represent the complex and diverse real-world context settings. We show that synthetic datasets exaggerate context characteristics rare in real retrieved data, which leads to inflated context utilisation results, as measured by our novel ACU score. Moreover, while previous work has mainly focused on singleton context characteristics to explain context utilisation, correlations between singleton context properties and ACU on DRUID are surprisingly small compared to other properties related to context source. Overall, our work underscores the need for real-world aligned context utilisation studies to represent and improve performance in real-world RAG settings.

The advancement of function-calling agent models requires diverse, reliable, and high-quality datasets. This paper presents APIGen, an automated data generation pipeline designed to synthesize verifiable high-quality datasets for function-calling applications. We leverage APIGen and collect 3,673 executable APIs across 21 different categories to generate diverse function-calling datasets in a scalable and structured manner. Each data in our dataset is verified through three hierarchical stages: format checking, actual function executions, and semantic verification, ensuring its reliability and correctness. We demonstrate that models trained with our curated datasets, even with only 7B parameters, can achieve state-of-the-art performance on the Berkeley Function-Calling Benchmark, outperforming multiple GPT-4 models. Moreover, our 1B model achieves exceptional performance, surpassing GPT-3.5-Turbo and Claude-3 Haiku. We release a dataset containing 60,000 high-quality entries, aiming to advance the field of function-calling agent domains. The dataset is available on Huggingface: https://huggingface.co/datasets/Salesforce/xlam-function-calling-60k and the project homepage: https://apigen-pipeline.github.io/

Clinical predictive models often rely on patients' electronic health records (EHR), but integrating medical knowledge to enhance predictions and decision-making is challenging. This is because personalized predictions require personalized knowledge graphs (KGs), which are difficult to generate from patient EHR data. To address this, we propose GraphCare, an open-world framework that uses external KGs to improve EHR-based predictions. Our method extracts knowledge from large language models (LLMs) and external biomedical KGs to build patient-specific KGs, which are then used to train our proposed Bi-attention AugmenTed (BAT) graph neural network (GNN) for healthcare predictions. On two public datasets, MIMIC-III and MIMIC-IV, GraphCare surpasses baselines in four vital healthcare prediction tasks: mortality, readmission, length of stay (LOS), and drug recommendation. On MIMIC-III, it boosts AUROC by 17.6\% and 6.6\% for mortality and readmission, and F1-score by 7.9\% and 10.8\% for LOS and drug recommendation, respectively. Notably, GraphCare demonstrates a substantial edge in scenarios with limited data availability. Our findings highlight the potential of using external KGs in healthcare prediction tasks and demonstrate the promise of GraphCare in generating personalized KGs for promoting personalized medicine.

The automatic analysis of chemical literature has immense potential to accelerate the discovery of new materials and drugs. Much of the critical information in patent documents and scientific articles is contained in figures, depicting the molecule structures. However, automatically parsing the exact chemical structure is a formidable challenge, due to the amount of detailed information, the diversity of drawing styles, and the need for training data. In this work, we introduce MolGrapher to recognize chemical structures visually. First, a deep keypoint detector detects the atoms. Second, we treat all candidate atoms and bonds as nodes and put them in a graph. This construct allows a natural graph representation of the molecule. Last, we classify atom and bond nodes in the graph with a Graph Neural Network. To address the lack of real training data, we propose a synthetic data generation pipeline producing diverse and realistic results. In addition, we introduce a large-scale benchmark of annotated real molecule images, USPTO-30K, to spur research on this critical topic. Extensive experiments on five datasets show that our approach significantly outperforms classical and learning-based methods in most settings. Code, models, and datasets are available.

Specializing LLMs in various domain-specific tasks has emerged as a critical step towards achieving high performance. However, the construction and annotation of datasets in specific domains are always very costly. Apart from using superior and expensive closed-source LLM APIs to construct datasets, some open-source models have become strong enough to handle dataset construction in many scenarios. Thus, we present a family of data augmentation models designed to significantly improve the efficiency for model fine-tuning. These models, trained based on sufficiently small LLMs, support key functionalities with low inference costs: instruction expansion, instruction refinement, and instruction-response pair expansion. To fulfill this goal, we first construct an automatic data collection system with seed datasets generated from both public repositories and our in-house datasets. This system leverages powerful LLMs to expand, refine and re-write the instructions and responses, incorporating quality assessment techniques. Following this, we introduce the training process of our models, which effectively distills task-solving and text synthesis abilities from teacher LLMs. Finally, we demonstrate how we integrate these functionalities into a machine learning platform to support low-cost LLM fine-tuning from both dataset preparation and training perspectives for users. Experiments and an application study prove the effectiveness of our approach.

Code clones are pairs of code snippets that implement similar functionality. Clone detection is a fundamental branch of automatic source code comprehension, having many applications in refactoring recommendation, plagiarism detection, and code summarization. A particularly interesting case of clone detection is the detection of semantic clones, i.e., code snippets that have the same functionality but significantly differ in implementation. A promising approach to detecting semantic clones is contrastive learning (CL), a machine learning paradigm popular in computer vision but not yet commonly adopted for code processing. Our work aims to evaluate the most popular CL algorithms combined with three source code representations on two tasks. The first task is code clone detection, which we evaluate on the POJ-104 dataset containing implementations of 104 algorithms. The second task is plagiarism detection. To evaluate the models on this task, we introduce CodeTransformator, a tool for transforming source code. We use it to create a dataset that mimics plagiarised code based on competitive programming solutions. We trained nine models for both tasks and compared them with six existing approaches, including traditional tools and modern pre-trained neural models. The results of our evaluation show that proposed models perform diversely in each task, however the performance of the graph-based models is generally above the others. Among CL algorithms, SimCLR and SwAV lead to better results, while Moco is the most robust approach. Our code and trained models are available at https://doi.org/10.5281/zenodo.6360627, https://doi.org/10.5281/zenodo.5596345.

This paper introduces M^{3}-20M, a large-scale Multi-Modal Molecular dataset that contains over 20 million molecules. Designed to support AI-driven drug design and discovery, M^{3}-20M is 71 times more in the number of molecules than the largest existing dataset, providing an unprecedented scale that can highly benefit training or fine-tuning large (language) models with superior performance for drug design and discovery. This dataset integrates one-dimensional SMILES, two-dimensional molecular graphs, three-dimensional molecular structures, physicochemical properties, and textual descriptions collected through web crawling and generated by using GPT-3.5, offering a comprehensive view of each molecule. To demonstrate the power of M^{3}-20M in drug design and discovery, we conduct extensive experiments on two key tasks: molecule generation and molecular property prediction, using large language models including GLM4, GPT-3.5, and GPT-4. Our experimental results show that M^{3}-20M can significantly boost model performance in both tasks. Specifically, it enables the models to generate more diverse and valid molecular structures and achieve higher property prediction accuracy than the existing single-modal datasets, which validates the value and potential of M^{3}-20M in supporting AI-driven drug design and discovery. The dataset is available at https://github.com/bz99bz/M-3.

Electronic Health Records (EHRs) are integral for storing comprehensive patient medical records, combining structured data (e.g., medications) with detailed clinical notes (e.g., physician notes). These elements are essential for straightforward data retrieval and provide deep, contextual insights into patient care. However, they often suffer from discrepancies due to unintuitive EHR system designs and human errors, posing serious risks to patient safety. To address this, we developed EHRCon, a new dataset and task specifically designed to ensure data consistency between structured tables and unstructured notes in EHRs. EHRCon was crafted in collaboration with healthcare professionals using the MIMIC-III EHR dataset, and includes manual annotations of 3,943 entities across 105 clinical notes checked against database entries for consistency. EHRCon has two versions, one using the original MIMIC-III schema, and another using the OMOP CDM schema, in order to increase its applicability and generalizability. Furthermore, leveraging the capabilities of large language models, we introduce CheckEHR, a novel framework for verifying the consistency between clinical notes and database tables. CheckEHR utilizes an eight-stage process and shows promising results in both few-shot and zero-shot settings. The code is available at https://github.com/dustn1259/EHRCon.

Deep learning in computer vision has achieved great success with the price of large-scale labeled training data. However, exhaustive data annotation is impracticable for each task of all domains of interest, due to high labor costs and unguaranteed labeling accuracy. Besides, the uncontrollable data collection process produces non-IID training and test data, where undesired duplication may exist. All these nuisances may hinder the verification of typical theories and exposure to new findings. To circumvent them, an alternative is to generate synthetic data via 3D rendering with domain randomization. We in this work push forward along this line by doing profound and extensive research on bare supervised learning and downstream domain adaptation. Specifically, under the well-controlled, IID data setting enabled by 3D rendering, we systematically verify the typical, important learning insights, e.g., shortcut learning, and discover the new laws of various data regimes and network architectures in generalization. We further investigate the effect of image formation factors on generalization, e.g., object scale, material texture, illumination, camera viewpoint, and background in a 3D scene. Moreover, we use the simulation-to-reality adaptation as a downstream task for comparing the transferability between synthetic and real data when used for pre-training, which demonstrates that synthetic data pre-training is also promising to improve real test results. Lastly, to promote future research, we develop a new large-scale synthetic-to-real benchmark for image classification, termed S2RDA, which provides more significant challenges for transfer from simulation to reality. The code and datasets are available at https://github.com/huitangtang/On_the_Utility_of_Synthetic_Data.

Recent research in representation learning utilizes large databases of proteins or molecules to acquire knowledge of drug and protein structures through unsupervised learning techniques. These pre-trained representations have proven to significantly enhance the accuracy of subsequent tasks, such as predicting the affinity between drugs and target proteins. In this study, we demonstrate that by incorporating knowledge graphs from diverse sources and modalities into the sequences or SMILES representation, we can further enrich the representation and achieve state-of-the-art results on established benchmark datasets. We provide preprocessed and integrated data obtained from 7 public sources, which encompass over 30M triples. Additionally, we make available the pre-trained models based on this data, along with the reported outcomes of their performance on three widely-used benchmark datasets for drug-target binding affinity prediction found in the Therapeutic Data Commons (TDC) benchmarks. Additionally, we make the source code for training models on benchmark datasets publicly available. Our objective in releasing these pre-trained models, accompanied by clean data for model pretraining and benchmark results, is to encourage research in knowledge-enhanced representation learning.

Large Language Models (LLMs) are trained on vast amounts of data, most of which is automatically scraped from the internet. This data includes encyclopedic documents that harbor a vast amount of general knowledge (e.g., Wikipedia) but also potentially overlap with benchmark datasets used for evaluating LLMs. Consequently, evaluating models on test splits that might have leaked into the training set is prone to misleading conclusions. To foster sound evaluation of language models, we introduce a new test dataset named RepLiQA, suited for question-answering and topic retrieval tasks. RepLiQA is a collection of five splits of test sets, four of which have not been released to the internet or exposed to LLM APIs prior to this publication. Each sample in RepLiQA comprises (1) a reference document crafted by a human annotator and depicting an imaginary scenario (e.g., a news article) absent from the internet; (2) a question about the document's topic; (3) a ground-truth answer derived directly from the information in the document; and (4) the paragraph extracted from the reference document containing the answer. As such, accurate answers can only be generated if a model can find relevant content within the provided document. We run a large-scale benchmark comprising several state-of-the-art LLMs to uncover differences in performance across models of various types and sizes in a context-conditional language modeling setting. Released splits of RepLiQA can be found here: https://huggingface.co/datasets/ServiceNow/repliqa.

We introduce Kvasir-VQA, an extended dataset derived from the HyperKvasir and Kvasir-Instrument datasets, augmented with question-and-answer annotations to facilitate advanced machine learning tasks in Gastrointestinal (GI) diagnostics. This dataset comprises 6,500 annotated images spanning various GI tract conditions and surgical instruments, and it supports multiple question types including yes/no, choice, location, and numerical count. The dataset is intended for applications such as image captioning, Visual Question Answering (VQA), text-based generation of synthetic medical images, object detection, and classification. Our experiments demonstrate the dataset's effectiveness in training models for three selected tasks, showcasing significant applications in medical image analysis and diagnostics. We also present evaluation metrics for each task, highlighting the usability and versatility of our dataset. The dataset and supporting artifacts are available at https://datasets.simula.no/kvasir-vqa.

Ligand molecule conformation generation is a critical challenge in drug discovery. Deep learning models have been developed to tackle this problem, particularly through the use of generative models in recent years. However, these models often generate conformations that lack meaningful structure and randomness due to the absence of essential side information. Examples of such side information include the chemical and geometric features of the target protein, ligand-target compound interactions, and ligand chemical properties. Without these constraints, the generated conformations may not be suitable for further selection and design of new drugs. To address this limitation, we propose a novel method for generating ligand conformations that leverage side information and incorporate flexible constraints into standard diffusion models. Drawing inspiration from the concept of message passing, we introduce ligand-target massage passing block, a mechanism that facilitates the exchange of information between target nodes and ligand nodes, thereby incorporating target node features. To capture non-covalent interactions, we introduce ligand-target compound inter and intra edges. To further improve the biological relevance of the generated conformations, we train energy models using scalar chemical features. These models guide the progress of the standard Denoising Diffusion Probabilistic Models, resulting in more biologically meaningful conformations. We evaluate the performance of SIDEGEN using the PDBBind-2020 dataset, comparing it against other methods. The results demonstrate improvements in both Aligned RMSD and Ligand RMSD evaluations. Specifically, our model outperforms GeoDiff (trained on PDBBind-2020) by 20% in terms of the median aligned RMSD metric.

Medical report generation from X-ray images is a challenging task, particularly in an unpaired setting where paired image-report data is unavailable for training. To address this challenge, we propose a novel model that leverages the available information in two distinct datasets, one comprising reports and the other consisting of images. The core idea of our model revolves around the notion that combining auto-encoding report generation with multi-modal (report-image) alignment can offer a solution. However, the challenge persists regarding how to achieve this alignment when pair correspondence is absent. Our proposed solution involves the use of auxiliary tasks, particularly contrastive learning and classification, to position related images and reports in close proximity to each other. This approach differs from previous methods that rely on pre-processing steps, such as using external information stored in a knowledge graph. Our model, named MedRAT, surpasses previous state-of-the-art methods, demonstrating the feasibility of generating comprehensive medical reports without the need for paired data or external tools.

Synthetic data generation has become an increasingly popular way of training models without the need for large, manually labeled datasets. For tasks like text embedding, synthetic data offers diverse and scalable training examples, significantly reducing the cost of human annotation. However, most current approaches rely heavily on proprietary models like GPT-4, which are expensive and inefficient for generating large-scale embedding data. In this paper, we introduce SPEED, a framework that aligns open-source small models (8B) to efficiently generate large-scale synthetic embedding data. Through supervised fine-tuning, preference optimization, and self-improvement, SPEED enables small open-source models to produce high-quality data. Remarkably, SPEED uses only less than 1/10 of the GPT API calls, outperforming the state-of-the-art embedding model E5_mistral when both are trained solely on their synthetic data. Using this efficient generator, we conduct a comprehensive study on how various factors within the alignment pipeline impact data quality and reveal the scaling law for synthetic embedding data.

In this study, we examine the efficacy of post-hoc local attribution methods in identifying features with predictive power from irrelevant ones in domains characterized by a low signal-to-noise ratio (SNR), a common scenario in real-world machine learning applications. We developed synthetic datasets encompassing symbolic functional, image, and audio data, incorporating a benchmark on the {\it (Model \(\times\) Attribution\(\times\) Noise Condition)} triplet. By rigorously testing various classic models trained from scratch, we gained valuable insights into the performance of these attribution methods in multiple conditions. Based on these findings, we introduce a novel extension to the notable recursive feature elimination (RFE) algorithm, enhancing its applicability for neural networks. Our experiments highlight its strengths in prediction and feature selection, alongside limitations in scalability. Further details and additional minor findings are included in the appendix, with extensive discussions. The codes and resources are available at https://github.com/geshijoker/ChaosMining/{URL}.

This paper introduces the first public large-scale, long-span dataset with sea turtle photographs captured in the wild -- SeaTurtleID2022 (https://www.kaggle.com/datasets/wildlifedatasets/seaturtleid2022). The dataset contains 8729 photographs of 438 unique individuals collected within 13 years, making it the longest-spanned dataset for animal re-identification. All photographs include various annotations, e.g., identity, encounter timestamp, and body parts segmentation masks. Instead of standard "random" splits, the dataset allows for two realistic and ecologically motivated splits: (i) a time-aware closed-set with training, validation, and test data from different days/years, and (ii) a time-aware open-set with new unknown individuals in test and validation sets. We show that time-aware splits are essential for benchmarking re-identification methods, as random splits lead to performance overestimation. Furthermore, a baseline instance segmentation and re-identification performance over various body parts is provided. Finally, an end-to-end system for sea turtle re-identification is proposed and evaluated. The proposed system based on Hybrid Task Cascade for head instance segmentation and ArcFace-trained feature-extractor achieved an accuracy of 86.8%.

Speech datasets available in the public domain are often underutilized because of challenges in discoverability and interoperability. A comprehensive framework has been designed to survey, catalog, and curate available speech datasets, which allows replicable evaluation of automatic speech recognition (ASR) systems. A case study focused on the Polish language was conducted; the framework was applied to curate more than 24 datasets and evaluate 25 combinations of ASR systems and models. This research constitutes the most extensive comparison to date of both commercial and free ASR systems for the Polish language. It draws insights from 600 system-model-test set evaluations, marking a significant advancement in both scale and comprehensiveness. The results of surveys and performance comparisons are available as interactive dashboards (https://huggingface.co/spaces/amu-cai/pl-asr-leaderboard) along with curated datasets (https://huggingface.co/datasets/amu-cai/pl-asr-bigos-v2, https://huggingface.co/datasets/pelcra/pl-asr-pelcra-for-bigos) and the open challenge call (https://poleval.pl/tasks/task3). Tools used for evaluation are open-sourced (https://github.com/goodmike31/pl-asr-bigos-tools), facilitating replication and adaptation for other languages, as well as continuous expansion with new datasets and systems.

Identifying the chemical structure from a graphical representation, or image, of a molecule is a challenging pattern recognition task that would greatly benefit drug development. Yet, existing methods for chemical structure recognition do not typically generalize well, and show diminished effectiveness when confronted with domains where data is sparse, or costly to generate, such as hand-drawn molecule images. To address this limitation, we propose a new chemical structure recognition tool that delivers state-of-the-art performance and can adapt to new domains with a limited number of data samples and supervision. Unlike previous approaches, our method provides atom-level localization, and can therefore segment the image into the different atoms and bonds. Our model is the first model to perform OCSR with atom-level entity detection with only SMILES supervision. Through rigorous and extensive benchmarking, we demonstrate the preeminence of our chemical structure recognition approach in terms of data efficiency, accuracy, and atom-level entity prediction.

Existing approaches to multilingual text detoxification are hampered by the scarcity of parallel multilingual datasets. In this work, we introduce a pipeline for the generation of multilingual parallel detoxification data. We also introduce SynthDetoxM, a manually collected and synthetically generated multilingual parallel text detoxification dataset comprising 16,000 high-quality detoxification sentence pairs across German, French, Spanish and Russian. The data was sourced from different toxicity evaluation datasets and then rewritten with nine modern open-source LLMs in few-shot setting. Our experiments demonstrate that models trained on the produced synthetic datasets have superior performance to those trained on the human-annotated MultiParaDetox dataset even in data limited setting. Models trained on SynthDetoxM outperform all evaluated LLMs in few-shot setting. We release our dataset and code to help further research in multilingual text detoxification.

User interface understanding with vision-language models has received much attention due to its potential for enabling next-generation software automation. However, existing UI datasets either only provide large-scale context-free element annotations or contextualized functional descriptions for elements at a much smaller scale. In this work, we propose the pipeline for automatically annotating UI elements with detailed functionality descriptions at scale. Specifically, we leverage large language models (LLMs) to infer element functionality by comparing the UI content changes before and after simulated interactions with specific UI elements. To improve annotation quality, we propose LLM-aided rejection and verification, eliminating invalid and incorrect annotations without human labor. We construct an -704k dataset using the proposed pipeline, featuring multi-resolution, multi-device screenshots, diverse data domains, and detailed functionality annotations that have never been provided by previous datasets. Human evaluation shows that the AutoGUI pipeline achieves annotation correctness comparable to trained human annotators. Extensive experimental results show that our -704k dataset remarkably enhances VLM's UI grounding capabilities, exhibits significant scaling effects, and outperforms existing web pre-training data types. We envision AutoGUI as a scalable pipeline for generating massive data to build GUI-oriented VLMs. AutoGUI dataset can be viewed at this anonymous URL: https://autogui-project.github.io/.

Existing toxic detection models face significant limitations, such as lack of transparency, customization, and reproducibility. These challenges stem from the closed-source nature of their training data and the paucity of explanations for their evaluation mechanism. To address these issues, we propose a dataset creation mechanism that integrates voting and chain-of-thought processes, producing a high-quality open-source dataset for toxic content detection. Our methodology ensures diverse classification metrics for each sample and includes both classification scores and explanatory reasoning for the classifications. We utilize the dataset created through our proposed mechanism to train our model, which is then compared against existing widely-used detectors. Our approach not only enhances transparency and customizability but also facilitates better fine-tuning for specific use cases. This work contributes a robust framework for developing toxic content detection models, emphasizing openness and adaptability, thus paving the way for more effective and user-specific content moderation solutions.

Named Entity Recognition (NER) models play a crucial role in various NLP tasks, including information extraction (IE) and text understanding. In academic writing, references to machine learning models and datasets are fundamental components of various computer science publications and necessitate accurate models for identification. Despite the advancements in NER, existing ground truth datasets do not treat fine-grained types like ML model and model architecture as separate entity types, and consequently, baseline models cannot recognize them as such. In this paper, we release a corpus of 100 manually annotated full-text scientific publications and a first baseline model for 10 entity types centered around ML models and datasets. In order to provide a nuanced understanding of how ML models and datasets are mentioned and utilized, our dataset also contains annotations for informal mentions like "our BERT-based model" or "an image CNN". You can find the ground truth dataset and code to replicate model training at https://data.gesis.org/gsap/gsap-ner.

Knowledge Distillation (KD) has been validated as an effective model compression technique for learning compact object detectors. Existing state-of-the-art KD methods for object detection are mostly based on feature imitation. In this paper, we present a general and effective prediction mimicking distillation scheme, called CrossKD, which delivers the intermediate features of the student's detection head to the teacher's detection head. The resulting cross-head predictions are then forced to mimic the teacher's predictions. This manner relieves the student's head from receiving contradictory supervision signals from the annotations and the teacher's predictions, greatly improving the student's detection performance. Moreover, as mimicking the teacher's predictions is the target of KD, CrossKD offers more task-oriented information in contrast with feature imitation. On MS COCO, with only prediction mimicking losses applied, our CrossKD boosts the average precision of GFL ResNet-50 with 1x training schedule from 40.2 to 43.7, outperforming all existing KD methods. In addition, our method also works well when distilling detectors with heterogeneous backbones. Code is available at https://github.com/jbwang1997/CrossKD.

Social determinants of health (SDoH) have an important impact on patient outcomes but are incompletely collected from the electronic health records (EHR). This study researched the ability of large language models to extract SDoH from free text in EHRs, where they are most commonly documented, and explored the role of synthetic clinical text for improving the extraction of these scarcely documented, yet extremely valuable, clinical data. 800 patient notes were annotated for SDoH categories, and several transformer-based models were evaluated. The study also experimented with synthetic data generation and assessed for algorithmic bias. Our best-performing models were fine-tuned Flan-T5 XL (macro-F1 0.71) for any SDoH, and Flan-T5 XXL (macro-F1 0.70). The benefit of augmenting fine-tuning with synthetic data varied across model architecture and size, with smaller Flan-T5 models (base and large) showing the greatest improvements in performance (delta F1 +0.12 to +0.23). Model performance was similar on the in-hospital system dataset but worse on the MIMIC-III dataset. Our best-performing fine-tuned models outperformed zero- and few-shot performance of ChatGPT-family models for both tasks. These fine-tuned models were less likely than ChatGPT to change their prediction when race/ethnicity and gender descriptors were added to the text, suggesting less algorithmic bias (p<0.05). At the patient-level, our models identified 93.8% of patients with adverse SDoH, while ICD-10 codes captured 2.0%. Our method can effectively extracted SDoH information from clinic notes, performing better compare to GPT zero- and few-shot settings. These models could enhance real-world evidence on SDoH and aid in identifying patients needing social support.

Selecting appropriate datasets is critical in modern computer vision. However, no general-purpose tools exist to evaluate the extent to which two datasets differ. For this, we propose representing images - and by extension datasets - using Distributions of Neuron Activations (DNAs). DNAs fit distributions, such as histograms or Gaussians, to activations of neurons in a pre-trained feature extractor through which we pass the image(s) to represent. This extractor is frozen for all datasets, and we rely on its generally expressive power in feature space. By comparing two DNAs, we can evaluate the extent to which two datasets differ with granular control over the comparison attributes of interest, providing the ability to customise the way distances are measured to suit the requirements of the task at hand. Furthermore, DNAs are compact, representing datasets of any size with less than 15 megabytes. We demonstrate the value of DNAs by evaluating their applicability on several tasks, including conditional dataset comparison, synthetic image evaluation, and transfer learning, and across diverse datasets, ranging from synthetic cat images to celebrity faces and urban driving scenes.

LLMs demonstrate remarkable capabilities in following natural language instructions, largely due to instruction-tuning on high-quality datasets. While synthetic data generation has emerged as a scalable approach for creating such datasets, maintaining consistent quality standards remains challenging. Recent approaches incorporate feedback to improve data quality, but typically operate at the sample level, generating and applying feedback for each response individually. In this work, we propose Reference-Level Feedback, a novel methodology that instead collects feedback based on high-quality reference samples from carefully curated seed data. We use this feedback to capture rich signals of desirable characteristics and propagate it throughout the data synthesis process. We present REFED, a dataset of 10K instruction-response pairs synthesized using such feedback. We demonstrate the effectiveness of our approach by showing that Llama-3.1-8B-Instruct finetuned on REFED achieves state-of-the-art performance among similar-sized SFT-based models on AlpacaEval 2.0 and strong results on Arena-Hard. Through extensive experiments, we show that our approach consistently outperforms traditional sample-level feedback methods with significantly fewer feedback collections and improves performance across different model architectures.

Novel machine learning methods for tabular data generation are often developed on small datasets which do not match the scale required for scientific applications. We investigate a recent proposal to use XGBoost as the function approximator in diffusion and flow-matching models on tabular data, which proved to be extremely memory intensive, even on tiny datasets. In this work, we conduct a critical analysis of the existing implementation from an engineering perspective, and show that these limitations are not fundamental to the method; with better implementation it can be scaled to datasets 370x larger than previously used. Our efficient implementation also unlocks scaling models to much larger sizes which we show directly leads to improved performance on benchmark tasks. We also propose algorithmic improvements that can further benefit resource usage and model performance, including multi-output trees which are well-suited to generative modeling. Finally, we present results on large-scale scientific datasets derived from experimental particle physics as part of the Fast Calorimeter Simulation Challenge. Code is available at https://github.com/layer6ai-labs/calo-forest.

Training a large and state-of-the-art machine learning model typically necessitates the use of large-scale datasets, which, in turn, makes the training and parameter-tuning process expensive and time-consuming. Some researchers opt to distil information from real-world datasets into tiny and compact synthetic datasets while maintaining their ability to train a well-performing model, hence proposing a data-efficient method known as Dataset Distillation (DD). Despite recent progress in this field, existing methods still underperform and cannot effectively replace large datasets. In this paper, unlike previous methods that focus solely on improving the efficacy of student distillation, we are the first to recognize the important interplay between expert and student. We argue the significant impact of expert smoothness when employing more potent expert trajectories in subsequent dataset distillation. Based on this, we introduce the integration of clipping loss and gradient penalty to regulate the rate of parameter changes in expert trajectories. Furthermore, in response to the sensitivity exhibited towards randomly initialized variables during distillation, we propose representative initialization for synthetic dataset and balanced inner-loop loss. Finally, we present two enhancement strategies, namely intermediate matching loss and weight perturbation, to mitigate the potential occurrence of cumulative errors. We conduct extensive experiments on datasets of different scales, sizes, and resolutions. The results demonstrate that the proposed method significantly outperforms prior methods.

Mixed Sample Data Augmentation (MSDA) has received increasing attention in recent years, with many successful variants such as MixUp and CutMix. By studying the mutual information between the function learned by a VAE on the original data and on the augmented data we show that MixUp distorts learned functions in a way that CutMix does not. We further demonstrate this by showing that MixUp acts as a form of adversarial training, increasing robustness to attacks such as Deep Fool and Uniform Noise which produce examples similar to those generated by MixUp. We argue that this distortion prevents models from learning about sample specific features in the data, aiding generalisation performance. In contrast, we suggest that CutMix works more like a traditional augmentation, improving performance by preventing memorisation without distorting the data distribution. However, we argue that an MSDA which builds on CutMix to include masks of arbitrary shape, rather than just square, could further prevent memorisation whilst preserving the data distribution in the same way. To this end, we propose FMix, an MSDA that uses random binary masks obtained by applying a threshold to low frequency images sampled from Fourier space. These random masks can take on a wide range of shapes and can be generated for use with one, two, and three dimensional data. FMix improves performance over MixUp and CutMix, without an increase in training time, for a number of models across a range of data sets and problem settings, obtaining a new single model state-of-the-art result on CIFAR-10 without external data. Finally, we show that a consequence of the difference between interpolating MSDA such as MixUp and masking MSDA such as FMix is that the two can be combined to improve performance even further. Code for all experiments is provided at https://github.com/ecs-vlc/FMix .

Sharing knowledge between information extraction tasks has always been a challenge due to the diverse data formats and task variations. Meanwhile, this divergence leads to information waste and increases difficulties in building complex applications in real scenarios. Recent studies often formulate IE tasks as a triplet extraction problem. However, such a paradigm does not support multi-span and n-ary extraction, leading to weak versatility. To this end, we reorganize IE problems into unified multi-slot tuples and propose a universal framework for various IE tasks, namely Mirror. Specifically, we recast existing IE tasks as a multi-span cyclic graph extraction problem and devise a non-autoregressive graph decoding algorithm to extract all spans in a single step. It is worth noting that this graph structure is incredibly versatile, and it supports not only complex IE tasks, but also machine reading comprehension and classification tasks. We manually construct a corpus containing 57 datasets for model pretraining, and conduct experiments on 30 datasets across 8 downstream tasks. The experimental results demonstrate that our model has decent compatibility and outperforms or reaches competitive performance with SOTA systems under few-shot and zero-shot settings. The code, model weights, and pretraining corpus are available at https://github.com/Spico197/Mirror .

Misinformation can seriously impact society, affecting anything from public opinion to institutional confidence and the political horizon of a state. Fake News (FN) proliferation on online websites and Online Social Networks (OSNs) has increased profusely. Various fact-checking websites include news in English and barely provide information about FN in regional languages. Thus the Urdu FN purveyors cannot be discerned using factchecking portals. SOTA approaches for Fake News Detection (FND) count upon appropriately labelled and large datasets. FND in regional and resource-constrained languages lags due to the lack of limited-sized datasets and legitimate lexical resources. The previous datasets for Urdu FND are limited-sized, domain-restricted, publicly unavailable and not manually verified where the news is translated from English into Urdu. In this paper, we curate and contribute the first largest publicly available dataset for Urdu FND, Ax-to-Grind Urdu, to bridge the identified gaps and limitations of existing Urdu datasets in the literature. It constitutes 10,083 fake and real news on fifteen domains collected from leading and authentic Urdu newspapers and news channel websites in Pakistan and India. FN for the Ax-to-Grind dataset is collected from websites and crowdsourcing. The dataset contains news items in Urdu from the year 2017 to the year 2023. Expert journalists annotated the dataset. We benchmark the dataset with an ensemble model of mBERT,XLNet, and XLM RoBERTa. The selected models are originally trained on multilingual large corpora. The results of the proposed model are based on performance metrics, F1-score, accuracy, precision, recall and MCC value.

Training and evaluating language models increasingly requires the construction of meta-datasets --diverse collections of curated data with clear provenance. Natural language prompting has recently lead to improved zero-shot generalization by transforming existing, supervised datasets into a diversity of novel pretraining tasks, highlighting the benefits of meta-dataset curation. While successful in general-domain text, translating these data-centric approaches to biomedical language modeling remains challenging, as labeled biomedical datasets are significantly underrepresented in popular data hubs. To address this challenge, we introduce BigBIO a community library of 126+ biomedical NLP datasets, currently covering 12 task categories and 10+ languages. BigBIO facilitates reproducible meta-dataset curation via programmatic access to datasets and their metadata, and is compatible with current platforms for prompt engineering and end-to-end few/zero shot language model evaluation. We discuss our process for task schema harmonization, data auditing, contribution guidelines, and outline two illustrative use cases: zero-shot evaluation of biomedical prompts and large-scale, multi-task learning. BigBIO is an ongoing community effort and is available at https://github.com/bigscience-workshop/biomedical

We build new test sets for the CIFAR-10 and ImageNet datasets. Both benchmarks have been the focus of intense research for almost a decade, raising the danger of overfitting to excessively re-used test sets. By closely following the original dataset creation processes, we test to what extent current classification models generalize to new data. We evaluate a broad range of models and find accuracy drops of 3% - 15% on CIFAR-10 and 11% - 14% on ImageNet. However, accuracy gains on the original test sets translate to larger gains on the new test sets. Our results suggest that the accuracy drops are not caused by adaptivity, but by the models' inability to generalize to slightly "harder" images than those found in the original test sets.

We present a labeled large-scale, high resolution chest x-ray dataset for the automated exploration of medical images along with their associated reports. This dataset includes more than 160,000 images obtained from 67,000 patients that were interpreted and reported by radiologists at Hospital San Juan Hospital (Spain) from 2009 to 2017, covering six different position views and additional information on image acquisition and patient demography. The reports were labeled with 174 different radiographic findings, 19 differential diagnoses and 104 anatomic locations organized as a hierarchical taxonomy and mapped onto standard Unified Medical Language System (UMLS) terminology. Of these reports, 27% were manually annotated by trained physicians and the remaining set was labeled using a supervised method based on a recurrent neural network with attention mechanisms. The labels generated were then validated in an independent test set achieving a 0.93 Micro-F1 score. To the best of our knowledge, this is one of the largest public chest x-ray database suitable for training supervised models concerning radiographs, and the first to contain radiographic reports in Spanish. The PadChest dataset can be downloaded from http://bimcv.cipf.es/bimcv-projects/padchest/.

Recent work has shown the immense potential of synthetically generated datasets for training large language models (LLMs), especially for acquiring targeted skills. Current large-scale math instruction tuning datasets such as MetaMathQA (Yu et al., 2024) and MAmmoTH (Yue et al., 2024) are constructed using outputs from closed-source LLMs with commercially restrictive licenses. A key reason limiting the use of open-source LLMs in these data generation pipelines has been the wide gap between the mathematical skills of the best closed-source LLMs, such as GPT-4, and the best open-source LLMs. Building on the recent progress in open-source LLMs, our proposed prompting novelty, and some brute-force scaling, we construct OpenMathInstruct-1, a math instruction tuning dataset with 1.8M problem-solution pairs. The dataset is constructed by synthesizing code-interpreter solutions for GSM8K and MATH, two popular math reasoning benchmarks, using the recently released and permissively licensed Mixtral model. Our best model, OpenMath-CodeLlama-70B, trained on a subset of OpenMathInstruct-1, achieves a score of 84.6% on GSM8K and 50.7% on MATH, which is competitive with the best gpt-distilled models. We release our code, models, and the OpenMathInstruct-1 dataset under a commercially permissive license.

In this study, we present a novel dataset for training machine learning models translating between OpenMP Fortran and C++ code. To ensure reliability and applicability, the dataset is created from a range of representative open-source OpenMP benchmarks. It is also refined using a meticulous code similarity test. The effectiveness of our dataset is assessed using both quantitative (CodeBLEU) and qualitative (human evaluation) methods. We showcase how this dataset significantly elevates the translation competencies of large language models (LLMs). Specifically, models without prior coding knowledge experienced a boost of times~5.1 in their CodeBLEU scores, while models with some coding familiarity saw an impressive times~9.9-fold increase. The best fine-tuned model using our dataset outperforms GPT-4. It is also reaching human-level accuracy. This work underscores the immense potential of our dataset in propelling advancements in the domain of code translation for high-performance computing. The dataset is accessible at https://github.com/bin123apple/Fortran-CPP-HPC-code-translation-dataset{OpenMP-Fortran-CPP-Translation}.

The availability of large-scale authentic face databases has been crucial to the significant advances made in face recognition research over the past decade. However, legal and ethical concerns led to the recent retraction of many of these databases by their creators, raising questions about the continuity of future face recognition research without one of its key resources. Synthetic datasets have emerged as a promising alternative to privacy-sensitive authentic data for face recognition development. However, recent synthetic datasets that are used to train face recognition models suffer either from limitations in intra-class diversity or cross-class (identity) discrimination, leading to less optimal accuracies, far away from the accuracies achieved by models trained on authentic data. This paper targets this issue by proposing IDiff-Face, a novel approach based on conditional latent diffusion models for synthetic identity generation with realistic identity variations for face recognition training. Through extensive evaluations, our proposed synthetic-based face recognition approach pushed the limits of state-of-the-art performances, achieving, for example, 98.00% accuracy on the Labeled Faces in the Wild (LFW) benchmark, far ahead from the recent synthetic-based face recognition solutions with 95.40% and bridging the gap to authentic-based face recognition with 99.82% accuracy.

Very-High Resolution (VHR) remote sensing imagery is increasingly accessible, but often lacks annotations for effective machine learning applications. Recent foundation models like GroundingDINO and Segment Anything (SAM) provide opportunities to automatically generate annotations. This study introduces FMARS (Foundation Model Annotations in Remote Sensing), a methodology leveraging VHR imagery and foundation models for fast and robust annotation. We focus on disaster management and provide a large-scale dataset with labels obtained from pre-event imagery over 19 disaster events, derived from the Maxar Open Data initiative. We train segmentation models on the generated labels, using Unsupervised Domain Adaptation (UDA) techniques to increase transferability to real-world scenarios. Our results demonstrate the effectiveness of leveraging foundation models to automatically annotate remote sensing data at scale, enabling robust downstream models for critical applications. Code and dataset are available at https://github.com/links-ads/igarss-fmars.

We present SciRIFF (Scientific Resource for Instruction-Following and Finetuning), a dataset of 137K instruction-following demonstrations for 54 tasks covering five essential scientific literature understanding capabilities: information extraction, summarization, question answering, claim verification, and classification. SciRIFF demonstrations are notable for their long input contexts, detailed task specifications, and complex structured outputs. While instruction-following resources are available in specific domains such as clinical medicine and chemistry, SciRIFF is the first dataset focused on extracting and synthesizing information from research literature across a wide range of scientific fields. To demonstrate the utility of SciRIFF, we develop a sample-efficient strategy to adapt a general instruction-following model for science by performing additional finetuning on a mix of general-domain and SciRIFF demonstrations. In evaluations on nine held-out scientific tasks, our model -- called SciTulu -- improves over a strong LLM baseline by 28.1% and 6.5% at the 7B and 70B scales respectively, while maintaining general instruction-following performance within 2% of the baseline. We are optimistic that SciRIFF will facilitate the development and evaluation of LLMs to help researchers navigate the ever-growing body of scientific literature. We release our dataset, model checkpoints, and data processing and evaluation code to enable further research.

The large-scale training of multi-modal models on data scraped from the web has shown outstanding utility in infusing these models with the required world knowledge to perform effectively on multiple downstream tasks. However, one downside of scraping data from the web can be the potential sacrifice of the benchmarks on which the abilities of these models are often evaluated. To safeguard against test data contamination and to truly test the abilities of these foundation models we propose LiveXiv: A scalable evolving live benchmark based on scientific ArXiv papers. LiveXiv accesses domain-specific manuscripts at any given timestamp and proposes to automatically generate visual question-answer pairs (VQA). This is done without any human-in-the-loop, using the multi-modal content in the manuscripts, like graphs, charts, and tables. Moreover, we introduce an efficient evaluation approach that estimates the performance of all models on the evolving benchmark using evaluations of only a subset of models. This significantly reduces the overall evaluation cost. We benchmark multiple open and proprietary Large Multi-modal Models (LMMs) on the first version of our benchmark, showing its challenging nature and exposing the models true abilities, avoiding contamination. Lastly, in our commitment to high quality, we have collected and evaluated a manually verified subset. By comparing its overall results to our automatic annotations, we have found that the performance variance is indeed minimal (<2.5%). Our dataset is available online on HuggingFace, and our code will be available here.

Entity resolution (record linkage, microclustering) systems are notoriously difficult to evaluate. Looking for a needle in a haystack, traditional evaluation methods use sophisticated, application-specific sampling schemes to find matching pairs of records among an immense number of non-matches. We propose an alternative that facilitates the creation of representative, reusable benchmark data sets without necessitating complex sampling schemes. These benchmark data sets can then be used for model training and a variety of evaluation tasks. Specifically, we propose an entity-centric data labeling methodology that integrates with a unified framework for monitoring summary statistics, estimating key performance metrics such as cluster and pairwise precision and recall, and analyzing root causes for errors. We validate the framework in an application to inventor name disambiguation and through simulation studies. Software: https://github.com/OlivierBinette/er-evaluation/

This paper introduces VoxSim, a dataset of perceptual voice similarity ratings. Recent efforts to automate the assessment of speech synthesis technologies have primarily focused on predicting mean opinion score of naturalness, leaving speaker voice similarity relatively unexplored due to a lack of extensive training data. To address this, we generate about 41k utterance pairs from the VoxCeleb dataset, a widely utilised speech dataset for speaker recognition, and collect nearly 70k speaker similarity scores through a listening test. VoxSim offers a valuable resource for the development and benchmarking of speaker similarity prediction models. We provide baseline results of speaker similarity prediction models on the VoxSim test set and further demonstrate that the model trained on our dataset generalises to the out-of-domain VCC2018 dataset.

The rapid advancement of Large Language Models (LLMs) and Large Multimodal Models (LMMs) has heightened the demand for AI-based scientific assistants capable of understanding scientific articles and figures. Despite progress, there remains a significant gap in evaluating models' comprehension of professional, graduate-level, and even PhD-level scientific content. Current datasets and benchmarks primarily focus on relatively simple scientific tasks and figures, lacking comprehensive assessments across diverse advanced scientific disciplines. To bridge this gap, we collected a multimodal, multidisciplinary dataset from open-access scientific articles published in Nature Communications journals. This dataset spans 72 scientific disciplines, ensuring both diversity and quality. We created benchmarks with various tasks and settings to comprehensively evaluate LMMs' capabilities in understanding scientific figures and content. Our evaluation revealed that these tasks are highly challenging: many open-source models struggled significantly, and even GPT-4V and GPT-4o faced difficulties. We also explored using our dataset as training resources by constructing visual instruction-following data, enabling the 7B LLaVA model to achieve performance comparable to GPT-4V/o on our benchmark. Additionally, we investigated the use of our interleaved article texts and figure images for pre-training LMMs, resulting in improvements on the material generation task. The source dataset, including articles, figures, constructed benchmarks, and visual instruction-following data, is open-sourced.

In this work, we present SciGraphQA, a synthetic multi-turn question-answer dataset related to academic graphs. SciGraphQA is 13 times larger than ChartVQA, the previously largest chart-visual question-answering dataset. It is also the largest open-sourced chart VQA dataset with non-synthetic charts. To build our dataset, we selected 290,000 Computer Science or Machine Learning ArXiv papers published between 2010 and 2020, and then used Palm-2 to generate 295K samples of open-vocabulary multi-turn question-answering dialogues about the graphs. As context, we provided the text-only Palm-2 with paper title, abstract, paragraph mentioning the graph, and rich text contextual data from the graph itself, obtaining dialogues with an average 2.23 question-answer turns for each graph. We asked GPT-4 to assess the matching quality of our question-answer turns given the paper's context, obtaining an average rating of 8.7/10 on our 3K test set. We evaluated the 0-shot capability of the most popular MLLM models such as LLaVa, mPLUGowl, BLIP-2, and openFlamingo's on our dataset, finding LLaVA-13B being the most performant with a CIDEr score of 0.08. We further enriched the question prompts for LLAVA by including the serialized data tables extracted from the graphs using the DePlot model, boosting LLaVA's 0-shot CIDEr to 0.15. To verify the validity of our dataset, we also fine-tuned LLaVa using our dataset, reaching a substantially higher CIDEr score of 0.26. We anticipate further accuracy improvement by including segmentation mask tokens and leveraging larger LLM backbones coupled with emergent prompting techniques. Our code and data are open-sourced.

Existing synthetic datasets (FigureQA, DVQA) for reasoning over plots do not contain variability in data labels, real-valued data, or complex reasoning questions. Consequently, proposed models for these datasets do not fully address the challenge of reasoning over plots. In particular, they assume that the answer comes either from a small fixed size vocabulary or from a bounding box within the image. However, in practice, this is an unrealistic assumption because many questions require reasoning and thus have real-valued answers which appear neither in a small fixed size vocabulary nor in the image. In this work, we aim to bridge this gap between existing datasets and real-world plots. Specifically, we propose PlotQA with 28.9 million question-answer pairs over 224,377 plots on data from real-world sources and questions based on crowd-sourced question templates. Further, 80.76% of the out-of-vocabulary (OOV) questions in PlotQA have answers that are not in a fixed vocabulary. Analysis of existing models on PlotQA reveals that they cannot deal with OOV questions: their overall accuracy on our dataset is in single digits. This is not surprising given that these models were not designed for such questions. As a step towards a more holistic model which can address fixed vocabulary as well as OOV questions, we propose a hybrid approach: Specific questions are answered by choosing the answer from a fixed vocabulary or by extracting it from a predicted bounding box in the plot, while other questions are answered with a table question-answering engine which is fed with a structured table generated by detecting visual elements from the image. On the existing DVQA dataset, our model has an accuracy of 58%, significantly improving on the highest reported accuracy of 46%. On PlotQA, our model has an accuracy of 22.52%, which is significantly better than state of the art models.

Medical knowledge is context-dependent and requires consistent reasoning across various natural language expressions of semantically equivalent phrases. This is particularly crucial for drug names, where patients often use brand names like Advil or Tylenol instead of their generic equivalents. To study this, we create a new robustness dataset, RABBITS, to evaluate performance differences on medical benchmarks after swapping brand and generic drug names using physician expert annotations. We assess both open-source and API-based LLMs on MedQA and MedMCQA, revealing a consistent performance drop ranging from 1-10\%. Furthermore, we identify a potential source of this fragility as the contamination of test data in widely used pre-training datasets. All code is accessible at https://github.com/BittermanLab/RABBITS, and a HuggingFace leaderboard is available at https://huggingface.co/spaces/AIM-Harvard/rabbits-leaderboard.

Clinical trials are fundamental in developing new drugs, medical devices, and treatments. However, they are often time-consuming and have low success rates. Although there have been initial attempts to create large language models (LLMs) for clinical trial design and patient-trial matching, these models remain task-specific and not adaptable to diverse clinical trial tasks. To address this challenge, we propose a clinical trial foundation model named Panacea, designed to handle multiple tasks, including trial search, trial summarization, trial design, and patient-trial matching. We also assemble a large-scale dataset, named TrialAlign, of 793,279 trial documents and 1,113,207 trial-related scientific papers, to infuse clinical knowledge into the model by pre-training. We further curate TrialInstruct, which has 200,866 of instruction data for fine-tuning. These resources enable Panacea to be widely applicable for a range of clinical trial tasks based on user requirements. We evaluated Panacea on a new benchmark, named TrialPanorama, which covers eight clinical trial tasks. Our method performed the best on seven of the eight tasks compared to six cutting-edge generic or medicine-specific LLMs. Specifically, Panacea showed great potential to collaborate with human experts in crafting the design of eligibility criteria, study arms, and outcome measures, in multi-round conversations. In addition, Panacea achieved 14.42% improvement in patient-trial matching, 41.78% to 52.02% improvement in trial search, and consistently ranked at the top for five aspects of trial summarization. Our approach demonstrates the effectiveness of Panacea in clinical trials and establishes a comprehensive resource, including training data, model, and benchmark, for developing clinical trial foundation models, paving the path for AI-based clinical trial development.

Clinical trial matching is the task of identifying trials for which patients may be potentially eligible. Typically, this task is labor-intensive and requires detailed verification of patient electronic health records (EHRs) against the stringent inclusion and exclusion criteria of clinical trials. This process is manual, time-intensive, and challenging to scale up, resulting in many patients missing out on potential therapeutic options. Recent advancements in Large Language Models (LLMs) have made automating patient-trial matching possible, as shown in multiple concurrent research studies. However, the current approaches are confined to constrained, often synthetic datasets that do not adequately mirror the complexities encountered in real-world medical data. In this study, we present the first, end-to-end large-scale empirical evaluation of clinical trial matching using real-world EHRs. Our study showcases the capability of LLMs to accurately match patients with appropriate clinical trials. We perform experiments with proprietary LLMs, including GPT-4 and GPT-3.5, as well as our custom fine-tuned model called OncoLLM and show that OncoLLM, despite its significantly smaller size, not only outperforms GPT-3.5 but also matches the performance of qualified medical doctors. All experiments were carried out on real-world EHRs that include clinical notes and available clinical trials from a single cancer center in the United States.

In real-world scenarios with naturally occurring datasets, reference summaries are noisy and may contain information that cannot be inferred from the source text. On large news corpora, removing low quality samples has been shown to reduce model hallucinations. Yet, for smaller, and/or noisier corpora, filtering is detrimental to performance. To improve reference quality while retaining all data, we propose a new approach: to selectively re-write unsupported reference sentences to better reflect source data. We automatically generate a synthetic dataset of positive and negative revisions by corrupting supported sentences and learn to revise reference sentences with contrastive learning. The intensity of revisions is treated as a controllable attribute so that, at inference, diverse candidates can be over-generated-then-rescored to balance faithfulness and abstraction. To test our methods, we extract noisy references from publicly available MIMIC-III discharge summaries for the task of hospital-course summarization, and vary the data on which models are trained. According to metrics and human evaluation, models trained on revised clinical references are much more faithful, informative, and fluent than models trained on original or filtered data.