图神经网络（GNN）通常用于两个任务：（整个）图分类和节点分类。我们正式引入了两个任务的普遍提出的决策问题，对应于以下模式：给定GNN，有效输入的某些规范以及有效输出的某些规范，请确定是否有有效的输入满足输出规范。然后，我们证明了图形分类器验证通常是不可决定的，这意味着不能有算法肯定可以保证没有任何类型的错误分类。此外，我们表明，一旦我们限制了所考虑的图的程度，在节点分类案例中的验证就可以决定。此外，我们根据考虑的GNN模型和规格讨论这些结果可能的更改。

我们研究了（深）神经网络的可及性问题的复杂性：它是否计算出有效输入的有效输出？最近有人声称，对于一般神经网络的问题，该问题是通用神经网络的NP算法，并且在线性不等式的结合给出的输入/输出维度上的规格是NP的。我们概括了证明并修复原始上和下限证明中的一些缺陷。在总体结果的激励下，我们表明NP硬度已经适用于限制的简单规格和神经网络。允许仅一个隐藏层和一个单个的输出维度以及仅一个负，零和一个正重或偏置的神经网络，足以确保NP硬度。此外，我们为有关神经网络验证的这一研究方向进行了详尽的讨论和可能的扩展。

我们调查（深）神经网络的可达性问题的复杂性：它是否计算了一些有效输入的有效输出？最近声称问题是NP-Complete，用于一般神经网络和联合输入/输出规范。我们修复了原始上限和下限的缺陷。然后，我们表明NP-HATDINGS已经持有限制的简单规范和具有一层的神经网络，以及针对发生参数的最小要求的神经网络。

The performance of the Deep Learning (DL) models depends on the quality of labels. In some areas, the involvement of human annotators may lead to noise in the data. When these corrupted labels are blindly regarded as the ground truth (GT), DL models suffer from performance deficiency. This paper presents a method that aims to learn a confident model in the presence of noisy labels. This is done in conjunction with estimating the uncertainty of multiple annotators. We robustly estimate the predictions given only the noisy labels by adding entropy or information-based regularizer to the classifier network. We conduct our experiments on a noisy version of MNIST, CIFAR-10, and FMNIST datasets. Our empirical results demonstrate the robustness of our method as it outperforms or performs comparably to other state-of-the-art (SOTA) methods. In addition, we evaluated the proposed method on the curated dataset, where the noise type and level of various annotators depend on the input image style. We show that our approach performs well and is adept at learning annotators' confusion. Moreover, we demonstrate how our model is more confident in predicting GT than other baselines. Finally, we assess our approach for segmentation problem and showcase its effectiveness with experiments.

Landing an unmanned aerial vehicle unmanned aerial vehicle (UAV) on top of an unmanned surface vehicle (USV) in harsh open waters is a challenging problem, owing to forces that can damage the UAV due to a severe roll and/or pitch angle of the USV during touchdown. To tackle this, we propose a novel model predictive control (MPC) approach enabling a UAV to land autonomously on a USV in these harsh conditions. The MPC employs a novel objective function and an online decomposition of the oscillatory motion of the vessel to predict, attempt, and accomplish the landing during near-zero tilt of the landing platform. The nonlinear prediction of the motion of the vessel is performed using visual data from an onboard camera. Therefore, the system does not require any communication with the USV or a control station. The proposed method was analyzed in numerous robotics simulations in harsh and extreme conditions and further validated in various real-world scenarios.

We develop theory and methods that use the graph Laplacian to analyze the geometry of the underlying manifold of point clouds. Our theory provides theoretical guarantees and explicit bounds on the functional form of the graph Laplacian, in the case when it acts on functions defined close to singularities of the underlying manifold. We also propose methods that can be used to estimate these geometric properties of the point cloud, which are based on the theoretical guarantees.

Nearly all jurisdictions in the United States require a professional license exam, commonly referred to as "the Bar Exam," as a precondition for law practice. To even sit for the exam, most jurisdictions require that an applicant completes at least seven years of post-secondary education, including three years at an accredited law school. In addition, most test-takers also undergo weeks to months of further, exam-specific preparation. Despite this significant investment of time and capital, approximately one in five test-takers still score under the rate required to pass the exam on their first try. In the face of a complex task that requires such depth of knowledge, what, then, should we expect of the state of the art in "AI?" In this research, we document our experimental evaluation of the performance of OpenAI's `text-davinci-003` model, often-referred to as GPT-3.5, on the multistate multiple choice (MBE) section of the exam. While we find no benefit in fine-tuning over GPT-3.5's zero-shot performance at the scale of our training data, we do find that hyperparameter optimization and prompt engineering positively impacted GPT-3.5's zero-shot performance. For best prompt and parameters, GPT-3.5 achieves a headline correct rate of 50.3% on a complete NCBE MBE practice exam, significantly in excess of the 25% baseline guessing rate, and performs at a passing rate for both Evidence and Torts. GPT-3.5's ranking of responses is also highly-correlated with correctness; its top two and top three choices are correct 71% and 88% of the time, respectively, indicating very strong non-entailment performance. While our ability to interpret these results is limited by nascent scientific understanding of LLMs and the proprietary nature of GPT, we believe that these results strongly suggest that an LLM will pass the MBE component of the Bar Exam in the near future.

The future of population-based breast cancer screening is likely personalized strategies based on clinically relevant risk models. Mammography-based risk models should remain robust to domain shifts caused by different populations and mammographic devices. Modern risk models do not ensure adaptation across vendor-domains and are often conflated to unintentionally rely on both precursors of cancer and systemic/global mammographic information associated with short- and long-term risk, respectively, which might limit performance. We developed a robust, cross-vendor model for long-term risk assessment. An augmentation-based domain adaption technique, based on flavorization of mammographic views, ensured generalization to an unseen vendor-domain. We trained on samples without diagnosed/potential malignant findings to learn systemic/global breast tissue features, called mammographic texture, indicative of future breast cancer. However, training so may cause erratic convergence. By excluding noise-inducing samples and designing a case-control dataset, a robust ensemble texture model was trained. This model was validated in two independent datasets. In 66,607 Danish women with flavorized Siemens views, the AUC was 0.71 and 0.65 for prediction of interval cancers within two years (ICs) and from two years after screening (LTCs), respectively. In a combination with established risk factors, the model's AUC increased to 0.68 for LTCs. In 25,706 Dutch women with Hologic-processed views, the AUCs were not different from the AUCs in Danish women with flavorized views. The results suggested that the model robustly estimated long-term risk while adapting to an unseen processed vendor-domain. The model identified 8.1% of Danish women accounting for 20.9% of ICs and 14.2% of LTCs.

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.

Artificial intelligence(AI) systems based on deep neural networks (DNNs) and machine learning (ML) algorithms are increasingly used to solve critical problems in bioinformatics, biomedical informatics, and precision medicine. However, complex DNN or ML models that are unavoidably opaque and perceived as black-box methods, may not be able to explain why and how they make certain decisions. Such black-box models are difficult to comprehend not only for targeted users and decision-makers but also for AI developers. Besides, in sensitive areas like healthcare, explainability and accountability are not only desirable properties of AI but also legal requirements -- especially when AI may have significant impacts on human lives. Explainable artificial intelligence (XAI) is an emerging field that aims to mitigate the opaqueness of black-box models and make it possible to interpret how AI systems make their decisions with transparency. An interpretable ML model can explain how it makes predictions and which factors affect the model's outcomes. The majority of state-of-the-art interpretable ML methods have been developed in a domain-agnostic way and originate from computer vision, automated reasoning, or even statistics. Many of these methods cannot be directly applied to bioinformatics problems, without prior customization, extension, and domain adoption. In this paper, we discuss the importance of explainability with a focus on bioinformatics. We analyse and comprehensively overview of model-specific and model-agnostic interpretable ML methods and tools. Via several case studies covering bioimaging, cancer genomics, and biomedical text mining, we show how bioinformatics research could benefit from XAI methods and how they could help improve decision fairness.