关于组合优化的机器学习的最新作品表明，基于学习的方法可以优于速度和性能方面的启发式方法。在本文中，我们考虑了在定向的无环图上找到最佳拓扑顺序的问题，重点是编译器中出现的记忆最小化问题。我们提出了一种基于端到端的机器学习方法，用于使用编码器框架，用于拓扑排序。我们的编码器是一种基于注意力的新图形神经网络体系结构，称为\ emph {topoformer}，它使用DAG的不同拓扑转换来传递消息。由编码器产生的节点嵌入被转换为节点优先级，解码器使用这些嵌入，以生成概率分布对拓扑顺序。我们在称为分层图的合成生成图的数据集上训练我们的模型。我们表明，我们的模型的表现优于或在PAR上，具有多个拓扑排序基线，同时在最多2K节点的合成图上明显更快。我们还在一组现实世界计算图上训练和测试我们的模型，显示了性能的改进。

Location-aware networks will introduce new services and applications for modern convenience, surveillance, and public safety. In this paper, we consider the problem of cooperative localization in a wireless network where the position of certain anchor nodes can be controlled. We introduce an active planning method that aims at moving the anchors such that the information gain of future measurements is maximized. In the control layer of the proposed method, control inputs are calculated by minimizing the traces of approximate inverse Bayesian Fisher information matrixes (FIMs). The estimation layer computes estimates of the agent states and provides Gaussian representations of marginal posteriors of agent positions to the control layer for approximate Bayesian FIM computations. Based on a cost function that accumulates Bayesian FIM contributions over a sliding window of discrete future timesteps, a receding horizon (RH) control is performed. Approximations that make it possible to solve the resulting tree-search problem efficiently are also discussed. A numerical case study demonstrates the intelligent behavior of a single controlled anchor in a 3-D scenario and the resulting significantly improved localization accuracy.

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.

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.

The biomedical imaging world is notorious for working with small amounts of data, frustrating state-of-the-art efforts in the computer vision and deep learning worlds. With large datasets, it is easier to make progress we have seen from the natural image distribution. It is the same with microscopy videos of neuron cells moving in a culture. This problem presents several challenges as it can be difficult to grow and maintain the culture for days, and it is expensive to acquire the materials and equipment. In this work, we explore how to alleviate this data scarcity problem by synthesizing the videos. We, therefore, take the recent work of the video diffusion model to synthesize videos of cells from our training dataset. We then analyze the model's strengths and consistent shortcomings to guide us on improving video generation to be as high-quality as possible. To improve on such a task, we propose modifying the denoising function and adding motion information (dense optical flow) so that the model has more context regarding how video frames transition over time and how each pixel changes over time.

Unlike the typical classification setting where each instance is associated with a single class, in multi-label learning each instance is associated with multiple classes simultaneously. Therefore the learning task in this setting is to predict the subset of classes to which each instance belongs. This work examines the application of a recently developed framework called Conformal Prediction (CP) to the multi-label learning setting. CP complements the predictions of machine learning algorithms with reliable measures of confidence. As a result the proposed approach instead of just predicting the most likely subset of classes for a new unseen instance, also indicates the likelihood of each predicted subset being correct. This additional information is especially valuable in the multi-label setting where the overall uncertainty is extremely high.

为梯度增强学习选择默认功能编码策略可能会考虑训练持续时间的指标，并实现与功能表示相关的预测性能。用于DataFrame预处理的Automunge库为分类功能提供了默认的二进制化和数字标准化的Z分数归一化。提出的研究试图通过通过调整梯度增强的学习来编码变化来对一系列不同的数据集进行基准测试来验证这些默认值。我们发现，从调谐持续时间和模型性能的角度来看，我们选择的默认值平均是表现最好的人。另一个关键发现是，与分类二进制相比，一个热编码并非以适用性作为分类默认的方式执行。我们在这里提出这些和进一步的基准。

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。

鉴于HEP研究的核心，数据科学（DS）和机器学习（ML）在高能量物理学（HEP）中的作用增长良好和相关。此外，利用物理数据固有的对称性激发了物理信息的ML作为计算机科学研究的充满活力的子场。 HEP研究人员从广泛使用的材料中受益匪浅，可用于教育，培训和劳动力开发。他们还为这些材料做出了贡献，并为DS/ML相关的字段提供软件。物理部门越来越多地在DS，ML和物理学的交集上提供课程，通常使用HEP研究人员开发的课程，并涉及HEP中使用的开放软件和数据。在这份白皮书中，我们探讨了HEP研究与DS/ML教育之间的协同作用，讨论了此交叉路口的机会和挑战，并提出了将是互惠互利的社区活动。

最近的作品表明，如何将大语言模型（LLM）的推理能力应用于自然语言处理以外的领域，例如机器人的计划和互动。这些具体的问题要求代理商了解世界上许多语义方面：可用技能的曲目，这些技能如何影响世界以及对世界的变化如何映射回该语言。在体现环境中规划的LLMS不仅需要考虑要做什么技能，还需要考虑如何以及何时进行操作 - 答案随着时间的推移而变化，以响应代理商自己的选择。在这项工作中，我们调查了在这种体现的环境中使用的LLM在多大程度上可以推论通过自然语言提供的反馈来源，而无需任何其他培训。我们建议，通过利用环境反馈，LLM能够形成内部独白，使他们能够在机器人控制方案中进行更丰富的处理和计划。我们研究了各种反馈来源，例如成功检测，场景描述和人类互动。我们发现，闭环语言反馈显着改善了三个领域的高级指导完成，包括模拟和真实的桌面顶部重新排列任务以及现实世界中厨房环境中的长途移动操作任务。