手工和小规模的黄金开采(ASGM)是许多家庭的重要收入来源,但它可以产生巨大的社会和环境影响,尤其是在发展中国家的雨林中。Sentinel-2卫星收集了多光谱图像,可用于检测水位和质量的变化,这表明采矿地点位置。这项工作着重于对秘鲁亚马逊雨林中ASGM活动的认可。我们根据支持向量机(SVM)测试了几个半监督分类器,以检测Madre de Dios地区从2019年到2021年的水体变化,这是ASGM活动的全球热点之一。实验表明,基于SVM的模型可以实现RGB的合理性能(使用Cohen的$ \ kappa $ 0.49)和6通道图像(使用Cohen的$ \ kappa $ 0.71),具有非常有限的注释。还分析了合并实验室色彩空间的功效。
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Some recent pieces of work in the Machine Learning (ML) literature have demonstrated the usefulness of assessing which observations are hardest to have their label predicted accurately. By identifying such instances, one may inspect whether they have any quality issues that should be addressed. Learning strategies based on the difficulty level of the observations can also be devised. This paper presents a set of meta-features that aim at characterizing which instances of a dataset are hardest to have their label predicted accurately and why they are so, aka instance hardness measures. Both classification and regression problems are considered. Synthetic datasets with different levels of complexity are built and analyzed. A Python package containing all implementations is also provided.
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数据驱动的机器学习方法有可能显着加速材料设计的速率,而不是传统的人类指导方法。这些方法将有助于识别或在生成模型的情况下,甚至可以创建具有一组指定功能特性的新型材料结构,然后在实验室中合成或隔离。对于晶体结构的产生,关键的瓶颈在于为机器学习模型开发合适的原子结构指纹或表示,类似于分子生成中使用的基于图或微笑的表示。但是,找到对翻译,旋转和排列不变的数据有效表示,而笛卡尔原子坐标仍然是可逆的,仍然是一个持续的挑战。在这里,我们通过采用具有所需的不变的现有的不可糊化表示并开发算法来通过使用自动分化的基于梯度的优化来重建原子坐标,从而提出了一种替代方法。然后,可以将其与生成机器学习模型耦合,该模型在表示空间内生成新材料,而不是在数据范围内的笛卡尔空间中生成新材料。在这项工作中,我们使用以原子为中心的对称函数来实现这种端到端的结构生成方法,作为表示和条件变化自动编码器作为生成模型。我们能够成功地生成亚纳米PT纳米颗粒的新颖和有效的原子结构,作为概念证明。此外,该方法可以很容易地扩展到任何合适的结构表示形式,从而为基于结构的生成提供了强大的,可推广的框架。
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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.
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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.
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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.
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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 $\eta=-5.69$
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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.
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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.
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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.
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