重建和分类误差的关节优化是一个难题的问题，尤其是当使用非线性映射时。为了克服这一障碍，提出了一种新颖的优化策略，其中将降低维度的卷积自动编码器和由完全连接的网络组成的分类器组合在一起，以同时产生监督的维度降低和预测。事实证明，这种方法也可以极大地有益于深度学习体系结构的解释性。此外，可以利用针对分类任务进行优化的最终潜在空间来改善传统的，可解释的分类算法。实验结果表明，所提出的方法对最先进的深度学习方法实现了竞争结果，同时在参数计数方面更有效。最后，从经验上证明，所提出的方法论介绍了关于通过产生的潜在空间的数据结构，还涉及分类行为的高级解释性。

本文介绍了Hipart软件包，这是一个开源的本机Python库，可提供有效且可解释的分裂分层聚类算法的实现。HIPART支持交互式可视化，以操纵执行步骤，从而直接干预聚类结果。该软件包非常适合大数据应用程序，因为重点是实现的聚类方法的计算效率。所使用的依赖项是Python Build-In-In套件或高度维护的稳定外部软件包。该软件是根据MIT许可证提供的。该包的源代码和文档可以在https://github.com/panagiotisanagnostou/hipart上找到。

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.

Modern speech recognition systems exhibits rapid performance degradation under domain shift. This issue is especially prevalent in data-scarce settings, such as low-resource languages, where diversity of training data is limited. In this work we propose M2DS2, a simple and sample-efficient finetuning strategy for large pretrained speech models, based on mixed source and target domain self-supervision. We find that including source domain self-supervision stabilizes training and avoids mode collapse of the latent representations. For evaluation, we collect HParl, a $120$ hour speech corpus for Greek, consisting of plenary sessions in the Greek Parliament. We merge HParl with two popular Greek corpora to create GREC-MD, a test-bed for multi-domain evaluation of Greek ASR systems. In our experiments we find that, while other Unsupervised Domain Adaptation baselines fail in this resource-constrained environment, M2DS2 yields significant improvements for cross-domain adaptation, even when a only a few hours of in-domain audio are available. When we relax the problem in a weakly supervised setting, we find that independent adaptation for audio using M2DS2 and language using simple LM augmentation techniques is particularly effective, yielding word error rates comparable to the fully supervised baselines.

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.