健壮的学习是科学机器学习（SCIML）的重要问题。文献中有几篇关于该主题的作品。但是，对方法的需求不断增加，可以同时考虑SCIML模型识别中涉及的所有不同不确定性组成部分。因此，这项工作提出了一种对SCIML的不确定性评估的综合方法，该方法还考虑了识别过程中涉及的几种不确定性来源。提出的方法中考虑的不确定性是缺乏理论和因果模型，对数据腐败或不完美的敏感性以及计算工作。因此，可以为SCIML领域中的不确定性感知模型提供总体策略。该方法通过案例研究验证，开发了用于聚合反应器的软传感器。结果表明，已识别的软传感器对于不确定性是可靠的，并以所提出的方法的一致性证实。

科学机器学习（SCIML）是对几个不同应用领域的兴趣越来越多的领域。在优化上下文中，基于SCIML的工具使得能够开发更有效的优化方法。但是，必须谨慎评估和执行实施优化的SCIML工具。这项工作提出了稳健性测试的推论，该测试通过表明其结果尊重通用近似值定理，从而确保了基于多物理的基于SCIML的优化的鲁棒性。该测试应用于一种新方法的框架，该方法在一系列基准测试中进行了评估，以说明其一致性。此外，将提出的方法论结果与可行优化的可行区域进行了比较，这需要更高的计算工作。因此，这项工作为保证在多目标优化中应用SCIML工具的稳健性测试提供了比存在的替代方案要低的计算努力。

味道是遵循社会趋势和行为的风味行业的焦点。新调味剂和分子的研究和开发在该领域至关重要。另一方面，自然风味的发展在现代社会中起着至关重要的作用。鉴于此，目前的工作提出了一个基于科学机器学习的新颖框架，以在风味工程和行业中解决新的问题。因此，这项工作带来了一种创新的方法来设计新的自然风味分子。评估了有关合成可及性，原子数以及与天然或伪天然产物的相似性的分子。

语言模型既展示了定量的改进，又展示了新的定性功能，随着规模的增加。尽管它们具有潜在的变革性影响，但这些新能力的特征却很差。为了为未来的研究提供信息，为破坏性的新模型能力做准备，并改善社会有害的效果，至关重要的是，我们必须了解目前和近乎未来的能力和语言模型的局限性。为了应对这一挑战，我们介绍了超越模仿游戏基准（Big Bench）。 Big Bench目前由204个任务组成，由132家机构的442位作者贡献。任务主题是多样的，从语言学，儿童发展，数学，常识性推理，生物学，物理学，社会偏见，软件开发等等。 Big-Bench专注于被认为超出当前语言模型的功能的任务。我们评估了OpenAI的GPT型号，Google内部密集变压器体系结构和大型基础上的开关稀疏变压器的行为，跨越了数百万到数十亿个参数。此外，一个人类专家评估者团队执行了所有任务，以提供强大的基准。研究结果包括：模型性能和校准都随规模改善，但绝对的术语（以及与评估者的性能相比）；在模型类中的性能非常相似，尽管带有稀疏性。逐渐和预测的任务通常涉及大量知识或记忆成分，而在临界规模上表现出“突破性”行为的任务通常涉及多个步骤或组成部分或脆性指标；社交偏见通常会随着含糊不清的环境而随着规模而增加，但这可以通过提示来改善。

Advances in computer vision and machine learning techniques have led to significant development in 2D and 3D human pose estimation from RGB cameras, LiDAR, and radars. However, human pose estimation from images is adversely affected by occlusion and lighting, which are common in many scenarios of interest. Radar and LiDAR technologies, on the other hand, need specialized hardware that is expensive and power-intensive. Furthermore, placing these sensors in non-public areas raises significant privacy concerns. To address these limitations, recent research has explored the use of WiFi antennas (1D sensors) for body segmentation and key-point body detection. This paper further expands on the use of the WiFi signal in combination with deep learning architectures, commonly used in computer vision, to estimate dense human pose correspondence. We developed a deep neural network that maps the phase and amplitude of WiFi signals to UV coordinates within 24 human regions. The results of the study reveal that our model can estimate the dense pose of multiple subjects, with comparable performance to image-based approaches, by utilizing WiFi signals as the only input. This paves the way for low-cost, broadly accessible, and privacy-preserving algorithms for human sensing.

Due to the environmental impacts caused by the construction industry, repurposing existing buildings and making them more energy-efficient has become a high-priority issue. However, a legitimate concern of land developers is associated with the buildings' state of conservation. For that reason, infrared thermography has been used as a powerful tool to characterize these buildings' state of conservation by detecting pathologies, such as cracks and humidity. Thermal cameras detect the radiation emitted by any material and translate it into temperature-color-coded images. Abnormal temperature changes may indicate the presence of pathologies, however, reading thermal images might not be quite simple. This research project aims to combine infrared thermography and machine learning (ML) to help stakeholders determine the viability of reusing existing buildings by identifying their pathologies and defects more efficiently and accurately. In this particular phase of this research project, we've used an image classification machine learning model of Convolutional Neural Networks (DCNN) to differentiate three levels of cracks in one particular building. The model's accuracy was compared between the MSX and thermal images acquired from two distinct thermal cameras and fused images (formed through multisource information) to test the influence of the input data and network on the detection results.

The advances in Artificial Intelligence are creating new opportunities to improve lives of people around the world, from business to healthcare, from lifestyle to education. For example, some systems profile the users using their demographic and behavioral characteristics to make certain domain-specific predictions. Often, such predictions impact the life of the user directly or indirectly (e.g., loan disbursement, determining insurance coverage, shortlisting applications, etc.). As a result, the concerns over such AI-enabled systems are also increasing. To address these concerns, such systems are mandated to be responsible i.e., transparent, fair, and explainable to developers and end-users. In this paper, we present ComplAI, a unique framework to enable, observe, analyze and quantify explainability, robustness, performance, fairness, and model behavior in drift scenarios, and to provide a single Trust Factor that evaluates different supervised Machine Learning models not just from their ability to make correct predictions but from overall responsibility perspective. The framework helps users to (a) connect their models and enable explanations, (b) assess and visualize different aspects of the model, such as robustness, drift susceptibility, and fairness, and (c) compare different models (from different model families or obtained through different hyperparameter settings) from an overall perspective thereby facilitating actionable recourse for improvement of the models. It is model agnostic and works with different supervised machine learning scenarios (i.e., Binary Classification, Multi-class Classification, and Regression) and frameworks. It can be seamlessly integrated with any ML life-cycle framework. Thus, this already deployed framework aims to unify critical aspects of Responsible AI systems for regulating the development process of such real systems.

Model calibration, which is concerned with how frequently the model predicts correctly, not only plays a vital part in statistical model design, but also has substantial practical applications, such as optimal decision-making in the real world. However, it has been discovered that modern deep neural networks are generally poorly calibrated due to the overestimation (or underestimation) of predictive confidence, which is closely related to overfitting. In this paper, we propose Annealing Double-Head, a simple-to-implement but highly effective architecture for calibrating the DNN during training. To be precise, we construct an additional calibration head-a shallow neural network that typically has one latent layer-on top of the last latent layer in the normal model to map the logits to the aligned confidence. Furthermore, a simple Annealing technique that dynamically scales the logits by calibration head in training procedure is developed to improve its performance. Under both the in-distribution and distributional shift circumstances, we exhaustively evaluate our Annealing Double-Head architecture on multiple pairs of contemporary DNN architectures and vision and speech datasets. We demonstrate that our method achieves state-of-the-art model calibration performance without post-processing while simultaneously providing comparable predictive accuracy in comparison to other recently proposed calibration methods on a range of learning tasks.

Dataset scaling, also known as normalization, is an essential preprocessing step in a machine learning pipeline. It is aimed at adjusting attributes scales in a way that they all vary within the same range. This transformation is known to improve the performance of classification models, but there are several scaling techniques to choose from, and this choice is not generally done carefully. In this paper, we execute a broad experiment comparing the impact of 5 scaling techniques on the performances of 20 classification algorithms among monolithic and ensemble models, applying them to 82 publicly available datasets with varying imbalance ratios. Results show that the choice of scaling technique matters for classification performance, and the performance difference between the best and the worst scaling technique is relevant and statistically significant in most cases. They also indicate that choosing an inadequate technique can be more detrimental to classification performance than not scaling the data at all. We also show how the performance variation of an ensemble model, considering different scaling techniques, tends to be dictated by that of its base model. Finally, we discuss the relationship between a model's sensitivity to the choice of scaling technique and its performance and provide insights into its applicability on different model deployment scenarios. Full results and source code for the experiments in this paper are available in a GitHub repository.\footnote{https://github.com/amorimlb/scaling\_matters}

Over the past decade, neural networks have been successful at making predictions from biological sequences, especially in the context of regulatory genomics. As in other fields of deep learning, tools have been devised to extract features such as sequence motifs that can explain the predictions made by a trained network. Here we intend to go beyond explainable machine learning and introduce SEISM, a selective inference procedure to test the association between these extracted features and the predicted phenotype. In particular, we discuss how training a one-layer convolutional network is formally equivalent to selecting motifs maximizing some association score. We adapt existing sampling-based selective inference procedures by quantizing this selection over an infinite set to a large but finite grid. Finally, we show that sampling under a specific choice of parameters is sufficient to characterize the composite null hypothesis typically used for selective inference-a result that goes well beyond our particular framework. We illustrate the behavior of our method in terms of calibration, power and speed and discuss its power/speed trade-off with a simpler data-split strategy. SEISM paves the way to an easier analysis of neural networks used in regulatory genomics, and to more powerful methods for genome wide association studies (GWAS).