The findable, accessible, interoperable, and reusable (FAIR) data principles have provided a framework for examining, evaluating, and improving how we share data with the aim of facilitating scientific discovery. Efforts have been made to generalize these principles to research software and other digital products. Artificial intelligence (AI) models -- algorithms that have been trained on data rather than explicitly programmed -- are an important target for this because of the ever-increasing pace with which AI is transforming scientific and engineering domains. In this paper, we propose a practical definition of FAIR principles for AI models and create a FAIR AI project template that promotes adherence to these principles. We demonstrate how to implement these principles using a concrete example from experimental high energy physics: a graph neural network for identifying Higgs bosons decaying to bottom quarks. We study the robustness of these FAIR AI models and their portability across hardware architectures and software frameworks, and report new insights on the interpretability of AI predictions by studying the interplay between FAIR datasets and AI models. Enabled by publishing FAIR AI models, these studies pave the way toward reliable and automated AI-driven scientific discovery.

在本文中，我们提出了一种将标准结构嵌入物理数据歧管的方法，该方法具有更简单的指标，例如欧几里得和双曲线空间。然后，我们证明这可能是许多应用程序数据分析管道中的有力一步。在大型强子对撞机上使用逐渐更现实的模拟碰撞，我们表明这种嵌入方法了解了潜在的潜在结构。在欧几里得空间中的体积概念中，我们首次提供了一种可行的解决方案，可以量化对撞机物理学中模型不可知的搜索算法的真实搜索能力（即异常检测）。最后，我们讨论了如何采用本文中提出的思想来解决许多实践挑战，这些挑战需要从复杂的高维数据集中提取物理有意义的表示形式。

复发性神经网络已被证明是高能量物理中许多任务的有效体系结构，因此已被广泛采用。然而，由于在现场可编程门阵列（FPGAS）上实现经常性体系结构的困难，它们在低延迟环境中的使用受到了限制。在本文中，我们介绍了HLS4ML框架内两种类型的复发性神经网络层（长期短期内存和封闭式复发单元）的实现。我们证明，我们的实施能够为小型和大型模型生产有效的设计，并且可以定制以满足推理潜伏期和FPGA资源的特定设计要求。我们显示了多个神经网络的性能和合成设计，其中许多是专门针对CERN大型强子对撞机的喷气识别任务的培训。

Most Graph Neural Networks follow the message-passing paradigm, assuming the observed structure depicts the ground-truth node relationships. However, this fundamental assumption cannot always be satisfied, as real-world graphs are always incomplete, noisy, or redundant. How to reveal the inherent graph structure in a unified way remains under-explored. We proposed PRI-GSL, a Graph Structure Learning framework guided by the Principle of Relevant Information, providing a simple and unified framework for identifying the self-organization and revealing the hidden structure. PRI-GSL learns a structure that contains the most relevant yet least redundant information quantified by von Neumann entropy and Quantum Jensen-Shannon divergence. PRI-GSL incorporates the evolution of quantum continuous walk with graph wavelets to encode node structural roles, showing in which way the nodes interplay and self-organize with the graph structure. Extensive experiments demonstrate the superior effectiveness and robustness of PRI-GSL.

High-utility sequential pattern mining (HUSPM) has emerged as an important topic due to its wide application and considerable popularity. However, due to the combinatorial explosion of the search space when the HUSPM problem encounters a low utility threshold or large-scale data, it may be time-consuming and memory-costly to address the HUSPM problem. Several algorithms have been proposed for addressing this problem, but they still cost a lot in terms of running time and memory usage. In this paper, to further solve this problem efficiently, we design a compact structure called sequence projection (seqPro) and propose an efficient algorithm, namely discovering high-utility sequential patterns with the seqPro structure (HUSP-SP). HUSP-SP utilizes the compact seq-array to store the necessary information in a sequence database. The seqPro structure is designed to efficiently calculate candidate patterns' utilities and upper bound values. Furthermore, a new upper bound on utility, namely tighter reduced sequence utility (TRSU) and two pruning strategies in search space, are utilized to improve the mining performance of HUSP-SP. Experimental results on both synthetic and real-life datasets show that HUSP-SP can significantly outperform the state-of-the-art algorithms in terms of running time, memory usage, search space pruning efficiency, and scalability.

Large language models (LLMs) have demonstrated impressive capabilities in natural language understanding and generation, but the quality bar for medical and clinical applications is high. Today, attempts to assess models' clinical knowledge typically rely on automated evaluations on limited benchmarks. There is no standard to evaluate model predictions and reasoning across a breadth of tasks. To address this, we present MultiMedQA, a benchmark combining six existing open question answering datasets spanning professional medical exams, research, and consumer queries; and HealthSearchQA, a new free-response dataset of medical questions searched online. We propose a framework for human evaluation of model answers along multiple axes including factuality, precision, possible harm, and bias. In addition, we evaluate PaLM (a 540-billion parameter LLM) and its instruction-tuned variant, Flan-PaLM, on MultiMedQA. Using a combination of prompting strategies, Flan-PaLM achieves state-of-the-art accuracy on every MultiMedQA multiple-choice dataset (MedQA, MedMCQA, PubMedQA, MMLU clinical topics), including 67.6% accuracy on MedQA (US Medical License Exam questions), surpassing prior state-of-the-art by over 17%. However, human evaluation reveals key gaps in Flan-PaLM responses. To resolve this we introduce instruction prompt tuning, a parameter-efficient approach for aligning LLMs to new domains using a few exemplars. The resulting model, Med-PaLM, performs encouragingly, but remains inferior to clinicians. We show that comprehension, recall of knowledge, and medical reasoning improve with model scale and instruction prompt tuning, suggesting the potential utility of LLMs in medicine. Our human evaluations reveal important limitations of today's models, reinforcing the importance of both evaluation frameworks and method development in creating safe, helpful LLM models for clinical applications.

The xView2 competition and xBD dataset spurred significant advancements in overhead building damage detection, but the competition's pixel level scoring can lead to reduced solution performance in areas with tight clusters of buildings or uninformative context. We seek to advance automatic building damage assessment for disaster relief by proposing an auxiliary challenge to the original xView2 competition. This new challenge involves a new dataset and metrics indicating solution performance when damage is more local and limited than in xBD. Our challenge measures a network's ability to identify individual buildings and their damage level without excessive reliance on the buildings' surroundings. Methods that succeed on this challenge will provide more fine-grained, precise damage information than original xView2 solutions. The best-performing xView2 networks' performances dropped noticeably in our new limited/local damage detection task. The common causes of failure observed are that (1) building objects and their classifications are not separated well, and (2) when they are, the classification is strongly biased by surrounding buildings and other damage context. Thus, we release our augmented version of the dataset with additional object-level scoring metrics https://gitlab.kitware.com/dennis.melamed/xfbd to test independence and separability of building objects, alongside the pixel-level performance metrics of the original competition. We also experiment with new baseline models which improve independence and separability of building damage predictions. Our results indicate that building damage detection is not a fully-solved problem, and we invite others to use and build on our dataset augmentations and metrics.

Machine learning methods have seen increased application to geospatial environmental problems, such as precipitation nowcasting, haze forecasting, and crop yield prediction. However, many of the machine learning methods applied to mosquito population and disease forecasting do not inherently take into account the underlying spatial structure of the given data. In our work, we apply a spatially aware graph neural network model consisting of GraphSAGE layers to forecast the presence of West Nile virus in Illinois, to aid mosquito surveillance and abatement efforts within the state. More generally, we show that graph neural networks applied to irregularly sampled geospatial data can exceed the performance of a range of baseline methods including logistic regression, XGBoost, and fully-connected neural networks.

Neural image classifiers are known to undergo severe performance degradation when exposed to input that exhibits covariate-shift with respect to the training distribution. Successful hand-crafted augmentation pipelines aim at either approximating the expected test domain conditions or to perturb the features that are specific to the training environment. The development of effective pipelines is typically cumbersome, and produce transformations whose impact on the classifier performance are hard to understand and control. In this paper, we show that recent Text-to-Image (T2I) generators' ability to simulate image interventions via natural-language prompts can be leveraged to train more robust models, offering a more interpretable and controllable alternative to traditional augmentation methods. We find that a variety of prompting mechanisms are effective for producing synthetic training data sufficient to achieve state-of-the-art performance in widely-adopted domain-generalization benchmarks and reduce classifiers' dependency on spurious features. Our work suggests that further progress in T2I generation and a tighter integration with other research fields may represent a significant step towards the development of more robust machine learning systems.

The discovery of utility-driven patterns is a useful and difficult research topic. It can extract significant and interesting information from specific and varied databases, increasing the value of the services provided. In practice, the measure of utility is often used to demonstrate the importance, profit, or risk of an object or a pattern. In the database, although utility is a flexible criterion for each pattern, it is a more absolute criterion due to the neglect of utility sharing. This leads to the derived patterns only exploring partial and local knowledge from a database. Utility occupancy is a recently proposed model that considers the problem of mining with high utility but low occupancy. However, existing studies are concentrated on itemsets that do not reveal the temporal relationship of object occurrences. Therefore, this paper towards sequence utility maximization. We first define utility occupancy on sequence data and raise the problem of High Utility-Occupancy Sequential Pattern Mining (HUOSPM). Three dimensions, including frequency, utility, and occupancy, are comprehensively evaluated in HUOSPM. An algorithm called Sequence Utility Maximization with Utility occupancy measure (SUMU) is proposed. Furthermore, two data structures for storing related information about a pattern, Utility-Occupancy-List-Chain (UOL-Chain) and Utility-Occupancy-Table (UO-Table) with six associated upper bounds, are designed to improve efficiency. Empirical experiments are carried out to evaluate the novel algorithm's efficiency and effectiveness. The influence of different upper bounds and pruning strategies is analyzed and discussed. The comprehensive results suggest that the work of our algorithm is intelligent and effective.