Our goal is to reconstruct tomographic images with few measurements and a low signal-to-noise ratio. In clinical imaging, this helps to improve patient comfort and reduce radiation exposure. As quantum computing advances, we propose to use an adiabatic quantum computer and associated hybrid methods to solve the reconstruction problem. Tomographic reconstruction is an ill-posed inverse problem. We test our reconstruction technique for image size, noise content, and underdetermination of the measured projection data. We then present the reconstructed binary and integer-valued images of up to 32 by 32 pixels. The demonstrated method competes with traditional reconstruction algorithms and is superior in terms of robustness to noise and reconstructions from few projections. We postulate that hybrid quantum computing will soon reach maturity for real applications in tomographic reconstruction. Finally, we point out the current limitations regarding the problem size and interpretability of the algorithm.

人工智能（AI）启用的自主实验为加速科学发现提供了新的范式。非平衡材料合成是复杂，资源密集型实验的象征性，其加速将是物料发现和发展的流域。最近通过高吞吐量实验加速了非平衡合成相图的映射，但仍然限制了材料研究，因为参数空间太大而无法彻底探索。我们通过科学自主推理代理（SARA）管辖的分层自主实验，证明了加速的合成和促进亚稳材料。 SARA将机器人材料合成和表征与AI方法的层次集成，有效地揭示了处理相图的结构。 SARA设计横向梯度激光尖峰退火（LG-LSA）实验，用于平行材料合成，采用光学光谱速度迅速识别相转变。利用嵌套的主动学习（AL）周期实现了多维参数空间的高效探索，该嵌套主动学习模型包括实验的底层物理以及端到端的不确定性量化。有了这个，萨拉在多种尺度处的协调体现了复杂的科学任务的AI利用。我们通过自主映射综合映射_3 $ System的综合相位边界来展示其性能，导致幅度加速度，即建立一个合成相图，其中包括动力学稳定$ \ delta $ -bi $的条件_2 $ o $ _3 $在室温下，用于氧化固体氧化物燃料电池等电化学技术的关键开发。

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.

Tumor-stroma ratio (TSR) is a prognostic factor for many types of solid tumors. In this study, we propose a method for automated estimation of TSR from histopathological images of colorectal cancer. The method is based on convolutional neural networks which were trained to classify colorectal cancer tissue in hematoxylin-eosin stained samples into three classes: stroma, tumor and other. The models were trained using a data set that consists of 1343 whole slide images. Three different training setups were applied with a transfer learning approach using domain-specific data i.e. an external colorectal cancer histopathological data set. The three most accurate models were chosen as a classifier, TSR values were predicted and the results were compared to a visual TSR estimation made by a pathologist. The results suggest that classification accuracy does not improve when domain-specific data are used in the pre-training of the convolutional neural network models in the task at hand. Classification accuracy for stroma, tumor and other reached 96.1$\%$ on an independent test set. Among the three classes the best model gained the highest accuracy (99.3$\%$) for class tumor. When TSR was predicted with the best model, the correlation between the predicted values and values estimated by an experienced pathologist was 0.57. Further research is needed to study associations between computationally predicted TSR values and other clinicopathological factors of colorectal cancer and the overall survival of the patients.

There has been much interest recently in developing fair clustering algorithms that seek to do justice to the representation of groups defined along sensitive attributes such as race and gender. We observe that clustering algorithms could generate clusters such that different groups are disadvantaged within different clusters. We develop a clustering algorithm, building upon the centroid clustering paradigm pioneered by classical algorithms such as $k$-means, where we focus on mitigating the unfairness experienced by the most-disadvantaged group within each cluster. Our method uses an iterative optimisation paradigm whereby an initial cluster assignment is modified by reassigning objects to clusters such that the worst-off sensitive group within each cluster is benefitted. We demonstrate the effectiveness of our method through extensive empirical evaluations over a novel evaluation metric on real-world datasets. Specifically, we show that our method is effective in enhancing cluster-level group representativity fairness significantly at low impact on cluster coherence.