格子振动频率与许多重要的材料属性有关，例如热和导电性以及超导性。然而，使用密度泛函理论（DFT）方法的振动频率的计算计算过于计算地要求大量的材料筛选样本。在这里，我们提出了一种基于深度的基于神经网络的基于神经网络的算法，用于预测具有高精度的晶体结构的晶振频率。我们的算法使用零填充方案来解决振动频谱的变量尺寸。有关15,000和35552个样本的两个数据集的基准研究表明，汇总$ ^ 2 $分别分别达到0.554和0.724。我们的作品展示了深图神经网络的能力，除了输出尺寸是恒定的状态（DOS）和电子DOS的声子密度之外，还可以学习晶体结构的声光谱性能。

According to the latest trend of artificial intelligence, AI-systems needs to clarify regarding general,specific decisions,services provided by it. Only consumer is satisfied, with explanation , for example, why any classification result is the outcome of any given time. This actually motivates us using explainable or human understandable AI for a behavioral mining scenario, where users engagement on digital platform is determined from context, such as emotion, activity, weather, etc. However, the output of AI-system is not always systematically correct, and often systematically correct, but apparently not-perfect and thereby creating confusions, such as, why the decision is given? What is the reason underneath? In this context, we first formulate the behavioral mining problem in deep convolutional neural network architecture. Eventually, we apply a recursive neural network due to the presence of time-series data from users physiological and environmental sensor-readings. Once the model is developed, explanations are presented with the advent of XAI models in front of users. This critical step involves extensive trial with users preference on explanations over conventional AI, judgement of credibility of explanation.

Enterprise resource planning (ERP) software brings resources, data together to keep software-flow within business processes in a company. However, cloud computing's cheap, easy and quick management promise pushes business-owners for a transition from monolithic to a data-center/cloud based ERP. Since cloud-ERP development involves a cyclic process, namely planning, implementing, testing and upgrading, its adoption is realized as a deep recurrent neural network problem. Eventually, a classification algorithm based on long short term memory (LSTM) and TOPSIS is proposed to identify and rank, respectively, adoption features. Our theoretical model is validated over a reference model by articulating key players, services, architecture, functionalities. Qualitative survey is conducted among users by considering technology, innovation and resistance issues, to formulate hypotheses on key adoption factors.

Graph Neural Networks (GNNs) have become increasingly important in recent years due to their state-of-the-art performance on many important downstream applications. Existing GNNs have mostly focused on learning a single node representation, despite that a node often exhibits polysemous behavior in different contexts. In this work, we develop a persona-based graph neural network framework called PersonaSAGE that learns multiple persona-based embeddings for each node in the graph. Such disentangled representations are more interpretable and useful than a single embedding. Furthermore, PersonaSAGE learns the appropriate set of persona embeddings for each node in the graph, and every node can have a different number of assigned persona embeddings. The framework is flexible enough and the general design helps in the wide applicability of the learned embeddings to suit the domain. We utilize publicly available benchmark datasets to evaluate our approach and against a variety of baselines. The experiments demonstrate the effectiveness of PersonaSAGE for a variety of important tasks including link prediction where we achieve an average gain of 15% while remaining competitive for node classification. Finally, we also demonstrate the utility of PersonaSAGE with a case study for personalized recommendation of different entity types in a data management platform.

Before the transition of AVs to urban roads and subsequently unprecedented changes in traffic conditions, evaluation of transportation policies and futuristic road design related to pedestrian crossing behavior is of vital importance. Recent studies analyzed the non-causal impact of various variables on pedestrian waiting time in the presence of AVs. However, we mainly investigate the causal effect of traffic density on pedestrian waiting time. We develop a Double/Debiased Machine Learning (DML) model in which the impact of confounders variable influencing both a policy and an outcome of interest is addressed, resulting in unbiased policy evaluation. Furthermore, we try to analyze the effect of traffic density by developing a copula-based joint model of two main components of pedestrian crossing behavior, pedestrian stress level and waiting time. The copula approach has been widely used in the literature, for addressing self-selection problems, which can be classified as a causality analysis in travel behavior modeling. The results obtained from copula approach and DML are compared based on the effect of traffic density. In DML model structure, the standard error term of density parameter is lower than copula approach and the confidence interval is considerably more reliable. In addition, despite the similar sign of effect, the copula approach estimates the effect of traffic density lower than DML, due to the spurious effect of confounders. In short, the DML model structure can flexibly adjust the impact of confounders by using machine learning algorithms and is more reliable for planning future policies.

As language models (LMs) scale, they develop many novel behaviors, good and bad, exacerbating the need to evaluate how they behave. Prior work creates evaluations with crowdwork (which is time-consuming and expensive) or existing data sources (which are not always available). Here, we automatically generate evaluations with LMs. We explore approaches with varying amounts of human effort, from instructing LMs to write yes/no questions to making complex Winogender schemas with multiple stages of LM-based generation and filtering. Crowdworkers rate the examples as highly relevant and agree with 90-100% of labels, sometimes more so than corresponding human-written datasets. We generate 154 datasets and discover new cases of inverse scaling where LMs get worse with size. Larger LMs repeat back a dialog user's preferred answer ("sycophancy") and express greater desire to pursue concerning goals like resource acquisition and goal preservation. We also find some of the first examples of inverse scaling in RL from Human Feedback (RLHF), where more RLHF makes LMs worse. For example, RLHF makes LMs express stronger political views (on gun rights and immigration) and a greater desire to avoid shut down. Overall, LM-written evaluations are high-quality and let us quickly discover many novel LM behaviors.

Handwriting Recognition has been a field of great interest in the Artificial Intelligence domain. Due to its broad use cases in real life, research has been conducted widely on it. Prominent work has been done in this field focusing mainly on Latin characters. However, the domain of Arabic handwritten character recognition is still relatively unexplored. The inherent cursive nature of the Arabic characters and variations in writing styles across individuals makes the task even more challenging. We identified some probable reasons behind this and proposed a lightweight Convolutional Neural Network-based architecture for recognizing Arabic characters and digits. The proposed pipeline consists of a total of 18 layers containing four layers each for convolution, pooling, batch normalization, dropout, and finally one Global average pooling and a Dense layer. Furthermore, we thoroughly investigated the different choices of hyperparameters such as the choice of the optimizer, kernel initializer, activation function, etc. Evaluating the proposed architecture on the publicly available 'Arabic Handwritten Character Dataset (AHCD)' and 'Modified Arabic handwritten digits Database (MadBase)' datasets, the proposed model respectively achieved an accuracy of 96.93% and 99.35% which is comparable to the state-of-the-art and makes it a suitable solution for real-life end-level applications.

As AI systems become more capable, we would like to enlist their help to supervise other AIs. We experiment with methods for training a harmless AI assistant through self-improvement, without any human labels identifying harmful outputs. The only human oversight is provided through a list of rules or principles, and so we refer to the method as 'Constitutional AI'. The process involves both a supervised learning and a reinforcement learning phase. In the supervised phase we sample from an initial model, then generate self-critiques and revisions, and then finetune the original model on revised responses. In the RL phase, we sample from the finetuned model, use a model to evaluate which of the two samples is better, and then train a preference model from this dataset of AI preferences. We then train with RL using the preference model as the reward signal, i.e. we use 'RL from AI Feedback' (RLAIF). As a result we are able to train a harmless but non-evasive AI assistant that engages with harmful queries by explaining its objections to them. Both the SL and RL methods can leverage chain-of-thought style reasoning to improve the human-judged performance and transparency of AI decision making. These methods make it possible to control AI behavior more precisely and with far fewer human labels.

Vision Transformers (ViTs) have gained significant popularity in recent years and have proliferated into many applications. However, it is not well explored how varied their behavior is under different learning paradigms. We compare ViTs trained through different methods of supervision, and show that they learn a diverse range of behaviors in terms of their attention, representations, and downstream performance. We also discover ViT behaviors that are consistent across supervision, including the emergence of Offset Local Attention Heads. These are self-attention heads that attend to a token adjacent to the current token with a fixed directional offset, a phenomenon that to the best of our knowledge has not been highlighted in any prior work. Our analysis shows that ViTs are highly flexible and learn to process local and global information in different orders depending on their training method. We find that contrastive self-supervised methods learn features that are competitive with explicitly supervised features, and they can even be superior for part-level tasks. We also find that the representations of reconstruction-based models show non-trivial similarity to contrastive self-supervised models. Finally, we show how the "best" layer for a given task varies by both supervision method and task, further demonstrating the differing order of information processing in ViTs.

Personalization in Federated Learning (FL) aims to modify a collaboratively trained global model according to each client. Current approaches to personalization in FL are at a coarse granularity, i.e. all the input instances of a client use the same personalized model. This ignores the fact that some instances are more accurately handled by the global model due to better generalizability. To address this challenge, this work proposes Flow, a fine-grained stateless personalized FL approach. Flow creates dynamic personalized models by learning a routing mechanism that determines whether an input instance prefers the local parameters or its global counterpart. Thus, Flow introduces per-instance routing in addition to leveraging per-client personalization to improve accuracies at each client. Further, Flow is stateless which makes it unnecessary for a client to retain its personalized state across FL rounds. This makes Flow practical for large-scale FL settings and friendly to newly joined clients. Evaluations on Stackoverflow, Reddit, and EMNIST datasets demonstrate the superiority in prediction accuracy of Flow over state-of-the-art non-personalized and only per-client personalized approaches to FL.