免疫反应是一个动态过程，通过该过程，身体决定抗原是自我还是非自然。这种动态过程的状态由构成该决策过程的炎症和监管参与者的相对平衡和种群定义。免疫疗法的目的，例如因此，类风湿关节炎（RA）是为了使免疫状态偏向于监管参与者，从而在反应中关闭自身免疫性途径。尽管有几种已知的免疫疗法方法，但治疗的有效性将取决于这种干预措施如何改变该状态的演变。不幸的是，此过程不仅取决于该过程的动力学，而且是在干预时的系统状态决定的 - 这种状态在应用治疗之前很难确定即使不是不可能的状态。

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.

A comprehensive pharmaceutical recommendation system was designed based on the patients and drugs features extracted from Drugs.com and Druglib.com. First, data from these databases were combined, and a dataset of patients and drug information was built. Secondly, the patients and drugs were clustered, and then the recommendation was performed using different ratings provided by patients, and importantly by the knowledge obtained from patients and drug specifications, and considering drug interactions. To the best of our knowledge, we are the first group to consider patients conditions and history in the proposed approach for selecting a specific medicine appropriate for that particular user. Our approach applies artificial intelligence (AI) models for the implementation. Sentiment analysis using natural language processing approaches is employed in pre-processing along with neural network-based methods and recommender system algorithms for modeling the system. In our work, patients conditions and drugs features are used for making two models based on matrix factorization. Then we used drug interaction to filter drugs with severe or mild interactions with other drugs. We developed a deep learning model for recommending drugs by using data from 2304 patients as a training set, and then we used data from 660 patients as our validation set. After that, we used knowledge from critical information about drugs and combined the outcome of the model into a knowledge-based system with the rules obtained from constraints on taking medicine.

The ability for an agent to continuously learn new skills without catastrophically forgetting existing knowledge is of critical importance for the development of generally intelligent agents. Most methods devised to address this problem depend heavily on well-defined task boundaries, and thus depend on human supervision. Our task-agnostic method, Self-Activating Neural Ensembles (SANE), uses a modular architecture designed to avoid catastrophic forgetting without making any such assumptions. At the beginning of each trajectory, a module in the SANE ensemble is activated to determine the agent's next policy. During training, new modules are created as needed and only activated modules are updated to ensure that unused modules remain unchanged. This system enables our method to retain and leverage old skills, while growing and learning new ones. We demonstrate our approach on visually rich procedurally generated environments.

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.