我们将图形神经网络训练来自小工具N体模拟的光晕目录的神经网络，以执行宇宙学参数的无现场级别可能的推断。目录包含$ \ Lessim $ 5,000 HAROS带质量$ \ gtrsim 10^{10} 〜h^{ - 1} m_ \ odot $，定期卷为$（25〜H^{ - 1} {\ rm mpc}）{\ rm mpc}） ^3 $;目录中的每个光环都具有多种特性，例如位置，质量，速度，浓度和最大圆速度。我们的模型构建为置换，翻译和旋转的不变性，不施加最低限度的规模来提取信息，并能够以平均值来推断$ \ omega _ {\ rm m} $和$ \ sigma_8 $的值$ \ sim6 \％$的相对误差分别使用位置加上速度和位置加上质量。更重要的是，我们发现我们的模型非常强大：他们可以推断出使用数千个N-n-Body模拟的Halo目录进行测试时，使用五个不同的N-进行测试时，在使用Halo目录进行测试时，$ \ omega _ {\ rm m} $和$ \ sigma_8 $身体代码：算盘，Cubep $^3 $ M，Enzo，PKDGrav3和Ramses。令人惊讶的是，经过培训的模型推断$ \ omega _ {\ rm m} $在对数千个最先进的骆驼水力动力模拟进行测试时也可以使用，该模拟使用四个不同的代码和子网格物理实现。使用诸如浓度和最大循环速度之类的光环特性允许我们的模型提取更多信息，而牺牲了模型的鲁棒性。这可能会发生，因为不同的N体代码不会在与这些参数相对应的相关尺度上收敛。

制定了具有机器学习模拟（骆驼）项目的宇宙学和天体物理学，通过数千名宇宙的流体动力模拟和机器学习将宇宙学与天体物理学结合起来。骆驼包含4,233个宇宙学仿真，2,049个n-body和2,184个最先进的流体动力模拟，在参数空间中采样巨大的体积。在本文中，我们介绍了骆驼公共数据发布，描述了骆驼模拟的特性和由它们产生的各种数据产品，包括光环，次麦，银河系和空隙目录，功率谱，Bispectra，Lyman - $ \ Alpha $光谱，概率分布函数，光环径向轮廓和X射线光子列表。我们还释放了超过骆驼 - 山姆的数十亿个星系的目录：与Santa Cruz半分析模型相结合的大量N身体模拟。我们释放包含350多个Terabytes的所有数据，并包含143,922个快照，数百万光环，星系和摘要统计数据。我们提供有关如何访问，下载，读取和处理数据AT \ URL {https://camels.readthedocs.io}的进一步技术详细信息。

宇宙学冲击波对于理解宇宙结构的形成至关重要。为了研究它们，科学家运行计算昂贵的高分辨率3D流体动力模拟。解释仿真结果是具有挑战性的，因为结果数据集很大，并且由于其复杂的形态和多个冲击战线相交，因此，冲击波表面很难分离和分类。我们介绍了一条新颖的管道，处女座，结合了身体动机，可伸缩性和概率的鲁棒性，以解决这一无监督的分类问题。为此，我们使用低级别矩阵近似值的内核主成分分析来贬低粒子的数据集并创建标记的子集。我们执行监督分类，以随机变分深内核学习恢复完整的数据分辨率。我们对三个具有不同复杂性的最先进数据集进行评估，并取得良好的结果。所提出的管道自动运行，只有几个超参数，并且在所有测试的数据集上表现良好。我们的结果对于大规模应用是有希望的，我们重点介绍了现在的科学工作。

与许多研究领域相关的管状网络样结构（例如血管，神经元或道路）的准确分割与许多研究领域有关。对于这种结构，拓扑是它们最重要的特征。特别保留连接性：在血管网络的情况下，缺少连接的容器完全改变了血液流动的动力学。我们介绍了一种新颖的相似性度量，称为Centerlinedice（短CLDICE），该度量是根据分割掩模及其（形态）骨骼的相交进行计算的。从理论上讲，我们证明，CLDICE保证拓扑保存至二进制2D和3D分割的同型等效性。扩展这一点，我们提出了一种计算高效，可区分的损失函数（软性的），用于训练任意的神经分割网络。我们在五个公共数据集上基准了软性损失，包括船只，道路和神经元（2D和3D）。对软性播放的培训可通过更准确的连通性信息，更高的图形相似性和更好的体积分数进行分割。

Accurate determination of a small molecule candidate (ligand) binding pose in its target protein pocket is important for computer-aided drug discovery. Typical rigid-body docking methods ignore the pocket flexibility of protein, while the more accurate pose generation using molecular dynamics is hindered by slow protein dynamics. We develop a tiered tensor transform (3T) algorithm to rapidly generate diverse protein-ligand complex conformations for both pose and affinity estimation in drug screening, requiring neither machine learning training nor lengthy dynamics computation, while maintaining both coarse-grain-like coordinated protein dynamics and atomistic-level details of the complex pocket. The 3T conformation structures we generate are closer to experimental co-crystal structures than those generated by docking software, and more importantly achieve significantly higher accuracy in active ligand classification than traditional ensemble docking using hundreds of experimental protein conformations. 3T structure transformation is decoupled from the system physics, making future usage in other computational scientific domains possible.

Variational autoencoders model high-dimensional data by positing low-dimensional latent variables that are mapped through a flexible distribution parametrized by a neural network. Unfortunately, variational autoencoders often suffer from posterior collapse: the posterior of the latent variables is equal to its prior, rendering the variational autoencoder useless as a means to produce meaningful representations. Existing approaches to posterior collapse often attribute it to the use of neural networks or optimization issues due to variational approximation. In this paper, we consider posterior collapse as a problem of latent variable non-identifiability. We prove that the posterior collapses if and only if the latent variables are non-identifiable in the generative model. This fact implies that posterior collapse is not a phenomenon specific to the use of flexible distributions or approximate inference. Rather, it can occur in classical probabilistic models even with exact inference, which we also demonstrate. Based on these results, we propose a class of latent-identifiable variational autoencoders, deep generative models which enforce identifiability without sacrificing flexibility. This model class resolves the problem of latent variable non-identifiability by leveraging bijective Brenier maps and parameterizing them with input convex neural networks, without special variational inference objectives or optimization tricks. Across synthetic and real datasets, latent-identifiable variational autoencoders outperform existing methods in mitigating posterior collapse and providing meaningful representations of the data.

Differentiable Architecture Search (DARTS) has attracted considerable attention as a gradient-based Neural Architecture Search (NAS) method. Since the introduction of DARTS, there has been little work done on adapting the action space based on state-of-art architecture design principles for CNNs. In this work, we aim to address this gap by incrementally augmenting the DARTS search space with micro-design changes inspired by ConvNeXt and studying the trade-off between accuracy, evaluation layer count, and computational cost. To this end, we introduce the Pseudo-Inverted Bottleneck conv block intending to reduce the computational footprint of the inverted bottleneck block proposed in ConvNeXt. Our proposed architecture is much less sensitive to evaluation layer count and outperforms a DARTS network with similar size significantly, at layer counts as small as 2. Furthermore, with less layers, not only does it achieve higher accuracy with lower GMACs and parameter count, GradCAM comparisons show that our network is able to better detect distinctive features of target objects compared to DARTS.

Deep learning techniques with neural networks have been used effectively in computational fluid dynamics (CFD) to obtain solutions to nonlinear differential equations. This paper presents a physics-informed neural network (PINN) approach to solve the Blasius function. This method eliminates the process of changing the non-linear differential equation to an initial value problem. Also, it tackles the convergence issue arising in the conventional series solution. It is seen that this method produces results that are at par with the numerical and conventional methods. The solution is extended to the negative axis to show that PINNs capture the singularity of the function at $\eta=-5.69$

The Government of Kerala had increased the frequency of supply of free food kits owing to the pandemic, however, these items were static and not indicative of the personal preferences of the consumers. This paper conducts a comparative analysis of various clustering techniques on a scaled-down version of a real-world dataset obtained through a conjoint analysis-based survey. Clustering carried out by centroid-based methods such as k means is analyzed and the results are plotted along with SVD, and finally, a conclusion is reached as to which among the two is better. Once the clusters have been formulated, commodities are also decided upon for each cluster. Also, clustering is further enhanced by reassignment, based on a specific cluster loss threshold. Thus, the most efficacious clustering technique for designing a food kit tailored to the needs of individuals is finally obtained.

Learning efficient and interpretable policies has been a challenging task in reinforcement learning (RL), particularly in the visual RL setting with complex scenes. While neural networks have achieved competitive performance, the resulting policies are often over-parameterized black boxes that are difficult to interpret and deploy efficiently. More recent symbolic RL frameworks have shown that high-level domain-specific programming logic can be designed to handle both policy learning and symbolic planning. However, these approaches rely on coded primitives with little feature learning, and when applied to high-dimensional visual scenes, they can suffer from scalability issues and perform poorly when images have complex object interactions. To address these challenges, we propose \textit{Differentiable Symbolic Expression Search} (DiffSES), a novel symbolic learning approach that discovers discrete symbolic policies using partially differentiable optimization. By using object-level abstractions instead of raw pixel-level inputs, DiffSES is able to leverage the simplicity and scalability advantages of symbolic expressions, while also incorporating the strengths of neural networks for feature learning and optimization. Our experiments demonstrate that DiffSES is able to generate symbolic policies that are simpler and more and scalable than state-of-the-art symbolic RL methods, with a reduced amount of symbolic prior knowledge.