Neurosymbolic Programming (NP) techniques have the potential to accelerate scientific discovery. These models combine neural and symbolic components to learn complex patterns and representations from data, using high-level concepts or known constraints. NP techniques can interface with symbolic domain knowledge from scientists, such as prior knowledge and experimental context, to produce interpretable outputs. We identify opportunities and challenges between current NP models and scientific workflows, with real-world examples from behavior analysis in science: to enable the use of NP broadly for workflows across the natural and social sciences.

在对关键安全环境的强化学习中，通常希望代理在所有时间点（包括培训期间）服从安全性限制。我们提出了一种称为Spice的新型神经符号方法，以解决这个安全的探索问题。与现有工具相比，Spice使用基于符号最弱的先决条件的在线屏蔽层获得更精确的安全性分析，而不会不适当地影响培训过程。我们在连续控制基准的套件上评估了该方法，并表明它可以达到与现有的安全学习技术相当的性能，同时遭受较少的安全性违规行为。此外，我们提出的理论结果表明，在合理假设下，香料会收敛到最佳安全政策。

我们使用线性时间逻辑（LTL）约束研究策略优化问题（PO）。LTL的语言允许灵活描述可能不自然的任务，以编码为标量成本函数。我们将LTL受限的PO视为系统框架，将任务规范与策略选择解耦，以及成本塑造标准的替代方案。通过访问生成模型，我们开发了一种基于模型的方法，该方法享有样本复杂性分析，以确保任务满意度和成本最佳性（通过减少到可达性问题）。从经验上讲，即使在低样本制度中，我们的算法也可以实现强大的性能。

源代码的最先进的神经模型倾向于在代码的生成时进行评估，并且通常在长地平任务中的产生，例如整个方法体的产生。我们建议使用静态程序分析仪的弱监督来解决这一缺陷。我们的神经统计方法允许深入的生成模型来象征地计算它已经生成的代码中的静态分析工具，长距离语义关系。在培训期间，该模型观察这些关系，并学习生成条件上的程序。考虑到包含该方法的类的剩余部分，我们将我们的方法应用于生成整个Java方法的问题。我们的实验表明，该方法显着地优于最先进的变换器和模型，明确试图在制作程序中没有基本语义错误的程序以及在句法匹配地面真理方面来学习此任务的模型。

We present a framework for the unsupervised learning of neurosymbolic encoders, which are encoders obtained by composing neural networks with symbolic programs from a domain-specific language. Our framework naturally incorporates symbolic expert knowledge into the learning process, which leads to more interpretable and factorized latent representations compared to fully neural encoders. We integrate modern program synthesis techniques with the variational autoencoding (VAE) framework, in order to learn a neurosymbolic encoder in conjunction with a standard decoder. The programmatic descriptions from our encoders can benefit many analysis workflows, such as in behavior modeling where interpreting agent actions and movements is important. We evaluate our method on learning latent representations for real-world trajectory data from animal biology and sports analytics. We show that our approach offers significantly better separation of meaningful categories than standard VAEs and leads to practical gains on downstream analysis tasks, such as for behavior classification.

We introduce an end-to-end computational framework that enables hyperparameter optimization with the DeepHyper library, accelerated training, and interpretable AI inference with a suite of state-of-the-art AI models, including CGCNN, PhysNet, SchNet, MPNN, MPNN-transformer, and TorchMD-Net. We use these AI models and the benchmark QM9, hMOF, and MD17 datasets to showcase the prediction of user-specified materials properties in modern computing environments, and to demonstrate translational applications for the modeling of small molecules, crystals and metal organic frameworks with a unified, stand-alone framework. We deployed and tested this framework in the ThetaGPU supercomputer at the Argonne Leadership Computing Facility, and the Delta supercomputer at the National Center for Supercomputing Applications to provide researchers with modern tools to conduct accelerated AI-driven discovery in leadership class computing environments.

Nostradamus, inspired by the French astrologer and reputed seer, is a detailed study exploring relations between environmental factors and changes in the stock market. In this paper, we analyze associative correlation and causation between environmental elements and stock prices based on the US financial market, global climate trends, and daily weather records to demonstrate significant relationships between climate and stock price fluctuation. Our analysis covers short and long-term rises and dips in company stock performances. Lastly, we take four natural disasters as a case study to observe their effect on the emotional state of people and their influence on the stock market.

We consider private federated learning (FL), where a server aggregates differentially private gradient updates from a large number of clients in order to train a machine learning model. The main challenge is balancing privacy with both classification accuracy of the learned model as well as the amount of communication between the clients and server. In this work, we build on a recently proposed method for communication-efficient private FL -- the MVU mechanism -- by introducing a new interpolation mechanism that can accommodate a more efficient privacy analysis. The result is the new Interpolated MVU mechanism that provides SOTA results on communication-efficient private FL on a variety of datasets.

Many modern computer vision algorithms suffer from two major bottlenecks: scarcity of data and learning new tasks incrementally. While training the model with new batches of data the model looses it's ability to classify the previous data judiciously which is termed as catastrophic forgetting. Conventional methods have tried to mitigate catastrophic forgetting of the previously learned data while the training at the current session has been compromised. The state-of-the-art generative replay based approaches use complicated structures such as generative adversarial network (GAN) to deal with catastrophic forgetting. Additionally, training a GAN with few samples may lead to instability. In this work, we present a novel method to deal with these two major hurdles. Our method identifies a better embedding space with an improved contrasting loss to make classification more robust. Moreover, our approach is able to retain previously acquired knowledge in the embedding space even when trained with new classes. We update previous session class prototypes while training in such a way that it is able to represent the true class mean. This is of prime importance as our classification rule is based on the nearest class mean classification strategy. We have demonstrated our results by showing that the embedding space remains intact after training the model with new classes. We showed that our method preformed better than the existing state-of-the-art algorithms in terms of accuracy across different sessions.

在本文中，我们描述了使用汉密尔顿蒙特卡洛方法从基于经验可能性的后验进行采样的{\ tt r}软件包。基于经验可能性的方法论已在最近的许多感兴趣问题的贝叶斯建模中使用。该半摩擦过程可以轻松地将非参数分布估计器的灵活性与参数模型的可解释性结合在一起。该模型是通过估计基于方程的约束来指定的。从贝叶斯的经验可能性（贝耶斯）后部提取推断是具有挑战性的。可能性是数值计算的，因此不存在后部的闭合表达。此外，对于任何有限尺寸的样本，可能性的支持是非凸，这阻碍了许多马尔可夫链蒙特卡洛（MCMC）程序的快速混合。最近已经表明，使用对数经验可能性梯度的性质，可以设计有效的汉密尔顿蒙特卡洛（HMC）算法来从贝内斯尔后部采样。该软件包要求用户仅指定估计方程，先验及其各自的梯度。从参数后部绘制的MCMC样本，并获得了用户所需的各种细节。