通过一系列联邦举措和命令，美国政府一直在努力确保美国在AI中的领导。这些广泛的战略文件影响了美国空军美国部（DAF）等组织。DAF-MIT AI加速器是DAF和MIT之间的一项计划，以弥合AI研究人员与DAF任务要求之间的差距。DAF-MIT AI加速器支持的几个项目正在开发公共挑战问题，这些问题解决了许多联邦AI研究的重点。这些挑战是通过公开可用的大型AI-Ready数据集，激励开源解决方案，并为可以激发进一步研究的双重使用技术创建需求信号，来针对优先事项。在本文中，我们描述了正在开发的这些公共挑战以及它们的应用如何促进科学进步。

图像分类器通常在其测试设置精度上进行评分，但高精度可以屏蔽微妙类型的模型故障。我们发现高分卷积神经网络（CNNS）在流行的基准上表现出令人不安的病理，即使在没有语义突出特征的情况下，即使在没有语义突出特征的情况下也能够显示高精度。当模型提供没有突出的输入功能而无突出的频率决定时，我们说分类器已经过度解释了它的输入，找到了太多的课程 - 以对人类荒谬的模式。在这里，我们展示了在CiFar-10和Imagenet上培训的神经网络患有过度诠释，我们发现CIFAR-10上的模型即使在屏蔽95％的输入图像中，人类不能在剩余像素子集中辨别出突出的特征。我们介绍了批量梯度SIS，一种用于发现复杂数据集的足够输入子集的新方法，并使用此方法显示故事中的边界像素的充分性以进行培训和测试。虽然这些模式在现实世界部署中移植了潜在的模型脆弱性，但它们实际上是基准的有效统计模式，单独就足以实现高测试精度。与对手示例不同，过度解释依赖于未修改的图像像素。我们发现合奏和输入辍学可以帮助缓解过度诠释。

Neural Networks (GNNs) have revolutionized the molecular discovery to understand patterns and identify unknown features that can aid in predicting biophysical properties and protein-ligand interactions. However, current models typically rely on 2-dimensional molecular representations as input, and while utilization of 2\3- dimensional structural data has gained deserved traction in recent years as many of these models are still limited to static graph representations. We propose a novel approach based on the transformer model utilizing GNNs for characterizing dynamic features of protein-ligand interactions. Our message passing transformer pre-trains on a set of molecular dynamic data based off of physics-based simulations to learn coordinate construction and make binding probability and affinity predictions as a downstream task. Through extensive testing we compare our results with the existing models, our MDA-PLI model was able to outperform the molecular interaction prediction models with an RMSE of 1.2958. The geometric encodings enabled by our transformer architecture and the addition of time series data add a new dimensionality to this form of research.

In the cybersecurity setting, defenders are often at the mercy of their detection technologies and subject to the information and experiences that individual analysts have. In order to give defenders an advantage, it is important to understand an attacker's motivation and their likely next best action. As a first step in modeling this behavior, we introduce a security game framework that simulates interplay between attackers and defenders in a noisy environment, focusing on the factors that drive decision making for attackers and defenders in the variants of the game with full knowledge and observability, knowledge of the parameters but no observability of the state (``partial knowledge''), and zero knowledge or observability (``zero knowledge''). We demonstrate the importance of making the right assumptions about attackers, given significant differences in outcomes. Furthermore, there is a measurable trade-off between false-positives and true-positives in terms of attacker outcomes, suggesting that a more false-positive prone environment may be acceptable under conditions where true-positives are also higher.

Recent advances in neural rendering imply a future of widespread visual data distributions through sharing NeRF model weights. However, while common visual data (images and videos) have standard approaches to embed ownership or copyright information explicitly or subtly, the problem remains unexplored for the emerging NeRF format. We present StegaNeRF, a method for steganographic information embedding in NeRF renderings. We design an optimization framework allowing accurate hidden information extractions from images rendered by NeRF, while preserving its original visual quality. We perform experimental evaluations of our method under several potential deployment scenarios, and we further discuss the insights discovered through our analysis. StegaNeRF signifies an initial exploration into the novel problem of instilling customizable, imperceptible, and recoverable information to NeRF renderings, with minimal impact to rendered images. Project page: https://xggnet.github.io/StegaNeRF/.

We study fair multi-objective reinforcement learning in which an agent must learn a policy that simultaneously achieves high reward on multiple dimensions of a vector-valued reward. Motivated by the fair resource allocation literature, we model this as an expected welfare maximization problem, for some non-linear fair welfare function of the vector of long-term cumulative rewards. One canonical example of such a function is the Nash Social Welfare, or geometric mean, the log transform of which is also known as the Proportional Fairness objective. We show that even approximately optimal optimization of the expected Nash Social Welfare is computationally intractable even in the tabular case. Nevertheless, we provide a novel adaptation of Q-learning that combines non-linear scalarized learning updates and non-stationary action selection to learn effective policies for optimizing nonlinear welfare functions. We show that our algorithm is provably convergent, and we demonstrate experimentally that our approach outperforms techniques based on linear scalarization, mixtures of optimal linear scalarizations, or stationary action selection for the Nash Social Welfare Objective.

Computational catalysis is playing an increasingly significant role in the design of catalysts across a wide range of applications. A common task for many computational methods is the need to accurately compute the minimum binding energy - the adsorption energy - for an adsorbate and a catalyst surface of interest. Traditionally, the identification of low energy adsorbate-surface configurations relies on heuristic methods and researcher intuition. As the desire to perform high-throughput screening increases, it becomes challenging to use heuristics and intuition alone. In this paper, we demonstrate machine learning potentials can be leveraged to identify low energy adsorbate-surface configurations more accurately and efficiently. Our algorithm provides a spectrum of trade-offs between accuracy and efficiency, with one balanced option finding the lowest energy configuration, within a 0.1 eV threshold, 86.63% of the time, while achieving a 1387x speedup in computation. To standardize benchmarking, we introduce the Open Catalyst Dense dataset containing nearly 1,000 diverse surfaces and 87,045 unique configurations.

Artificial intelligence (AI) has enormous potential to improve Air Force pilot training by providing actionable feedback to pilot trainees on the quality of their maneuvers and enabling instructor-less flying familiarization for early-stage trainees in low-cost simulators. Historically, AI challenges consisting of data, problem descriptions, and example code have been critical to fueling AI breakthroughs. The Department of the Air Force-Massachusetts Institute of Technology AI Accelerator (DAF-MIT AI Accelerator) developed such an AI challenge using real-world Air Force flight simulator data. The Maneuver ID challenge assembled thousands of virtual reality simulator flight recordings collected by actual Air Force student pilots at Pilot Training Next (PTN). This dataset has been publicly released at Maneuver-ID.mit.edu and represents the first of its kind public release of USAF flight training data. Using this dataset, we have applied a variety of AI methods to separate "good" vs "bad" simulator data and categorize and characterize maneuvers. These data, algorithms, and software are being released as baselines of model performance for others to build upon to enable the AI ecosystem for flight simulator training.

Reducing the quantity of annotations required for supervised training is vital when labels are scarce and costly. This reduction is especially important for semantic segmentation tasks involving 3D datasets that are often significantly smaller and more challenging to annotate than their image-based counterparts. Self-supervised pre-training on large unlabelled datasets is one way to reduce the amount of manual annotations needed. Previous work has focused on pre-training with point cloud data exclusively; this approach often requires two or more registered views. In the present work, we combine image and point cloud modalities, by first learning self-supervised image features and then using these features to train a 3D model. By incorporating image data, which is often included in many 3D datasets, our pre-training method only requires a single scan of a scene. We demonstrate that our pre-training approach, despite using single scans, achieves comparable performance to other multi-scan, point cloud-only methods.

IMPORTANCE: An interpretable machine learning model can provide faithful explanations of each prediction and yet maintain higher performance than its black box counterpart. OBJECTIVE: To design an interpretable machine learning model which accurately predicts EEG protopatterns while providing an explanation of its predictions with assistance of a specialized GUI. To map the cEEG latent features to a 2D space in order to visualize the ictal-interictal-injury continuum and gain insight into its high-dimensional structure. DESIGN, SETTING, AND PARTICIPANTS: 50,697 50-second cEEG samples from 2,711 ICU patients collected between July 2006 and March 2020 at Massachusetts General Hospital. Samples were labeled as one of 6 EEG activities by domain experts, with 124 different experts providing annotations. MAIN OUTCOMES AND MEASURES: Our neural network is interpretable because it uses case-based reasoning: it compares a new EEG reading to a set of learned prototypical EEG samples from the training dataset. Interpretability was measured with task-specific neighborhood agreement statistics. Discriminatory performance was evaluated with AUROC and AUPRC. RESULTS: The model achieves AUROCs of 0.87, 0.93, 0.96, 0.92, 0.93, 0.80 for classes Seizure, LPD, GPD, LRDA, GRDA, Other respectively. This performance is statistically significantly higher than that of the corresponding uninterpretable (black box) model with p<0.0001. Videos of the ictal-interictal-injury continuum are provided. CONCLUSION AND RELEVANCE: Our interpretable model and GUI can act as a reference for practitioners who work with cEEG patterns. We can now better understand the relationships between different types of cEEG patterns. In the future, this system may allow for targeted intervention and training in clinical settings. It could also be used for re-confirming or providing additional information for diagnostics.