We are very thankful to all reviewers for their time and valuable comments. We agree that "lots of works have used GCNN for different combinatorial optimization We agree that our benchmark is artificial, and using real-world instances would bring value. Such datasets could be collected, e.g. We intend to include those new results in the final version of the paper. We agree that we should discuss references [a-c] in our literature review.

Vision-Language Models (VLMs) have demonstrated exceptional performance in various multi-modal tasks. Recently, there has been an increasing interest in improving the personalization capabilities of VLMs. To better integrate user-provided concepts into VLMs, many methods use positive and negative samples to fine-tune these models. However, the scarcity of user-provided positive samples and the low quality of retrieved negative samples pose challenges for fine-tuning. To reveal the relationship between sample and model performance, we systematically investigate the impact of positive and negative samples (easy and hard) and their diversity on VLM personalization tasks. Based on the detailed analysis, we introduce Concept-as-Tree (CaT), which represents a concept as a tree structure, thereby enabling the data generation of positive and negative samples with varying difficulty and diversity for VLM personalization. With a well-designed data filtering strategy, our CaT framework can ensure the quality of generated data, constituting a powerful pipeline. We perform thorough experiments with various VLM personalization baselines to assess the effectiveness of the pipeline, alleviating the lack of positive samples and the low quality of negative samples. Our results demonstrate that CaT equipped with the proposed data filter significantly enhances the personalization capabilities of VLMs across the MyVLM, Yo'LLaVA, and MC-LLaVA datasets. To our knowledge, this work is the first controllable synthetic data pipeline for VLM personalization. The code is released at \href{https://github.com/zengkaiya/CaT}{https://github.com/zengkaiya/CaT}.

Dimension reduction is often the first step in statistical modeling or prediction of multivariate spatial data. However, most existing dimension reduction techniques do not account for the spatial correlation between observations and do not take the downstream modeling task into consideration when finding the lower-dimensional representation. We formalize the closeness of approximation to the original data and the utility of lower-dimensional scores for downstream modeling as two complementary, sometimes conflicting, metrics for dimension reduction. We illustrate how existing methodologies fall into this framework and propose a flexible dimension reduction algorithm that achieves the optimal trade-off. We derive a computationally simple form for our algorithm and illustrate its performance through simulation studies, as well as two applications in air pollution modeling and spatial transcriptomics.

Inverse UQ is the process to inversely quantify the model input uncertainties based on experimental data. This work focuses on developing an inverse UQ process for time-dependent responses, using dimensionality reduction by functional principal component analysis (PCA) and deep neural network (DNN)-based surrogate models. The demonstration is based on the inverse UQ of TRACE physical model parameters using the FEBA transient experimental data. The measurement data is time-dependent peak cladding temperature (PCT). Since the quantity-of-interest (QoI) is time-dependent that corresponds to infinite-dimensional responses, PCA is used to reduce the QoI dimension while preserving the transient profile of the PCT, in order to make the inverse UQ process more efficient. However, conventional PCA applied directly to the PCT time series profiles can hardly represent the data precisely due to the sudden temperature drop at the time of quenching. As a result, a functional alignment method is used to separate the phase and amplitude information of the transient PCT profiles before dimensionality reduction. DNNs are then trained using PC scores from functional PCA to build surrogate models of TRACE in order to reduce the computational cost in Markov Chain Monte Carlo sampling. Bayesian neural networks are used to estimate the uncertainties of DNN surrogate model predictions. In this study, we compared four different inverse UQ processes with different dimensionality reduction methods and surrogate models. The proposed approach shows an improvement in reducing the dimension of the TRACE transient simulations, and the forward propagation of inverse UQ results has a better agreement with the experimental data.

Multivariate Functional Principal Component Analysis (MFPCA) is a valuable tool for exploring relationships and identifying shared patterns of variation in multivariate functional data. However, controlling the roughness of the extracted Principal Components (PCs) can be challenging. This paper introduces a novel approach called regularized MFPCA (ReMFPCA) to address this issue and enhance the smoothness and interpretability of the multivariate functional PCs. ReMFPCA incorporates a roughness penalty within a penalized framework, using a parameter vector to regulate the smoothness of each functional variable. The proposed method generates smoothed multivariate functional PCs, providing a concise and interpretable representation of the data. Extensive simulations and real data examples demonstrate the effectiveness of ReMFPCA and its superiority over alternative methods. The proposed approach opens new avenues for analyzing and uncovering relationships in complex multivariate functional datasets.

Recent performance breakthroughs in Artificial intelligence (AI) and Machine learning (ML), especially advances in Deep learning (DL), the availability of powerful, easy-to-use ML libraries (e.g., scikit-learn, TensorFlow, PyTorch.), and increasing computational power have led to unprecedented interest in AI/ML among nuclear engineers. For physics-based computational models, Verification, Validation and Uncertainty Quantification (VVUQ) have been very widely investigated and a lot of methodologies have been developed. However, VVUQ of ML models has been relatively less studied, especially in nuclear engineering. In this work, we focus on UQ of ML models as a preliminary step of ML VVUQ, more specifically, Deep Neural Networks (DNNs) because they are the most widely used supervised ML algorithm for both regression and classification tasks. This work aims at quantifying the prediction, or approximation uncertainties of DNNs when they are used as surrogate models for expensive physical models. Three techniques for UQ of DNNs are compared, namely Monte Carlo Dropout (MCD), Deep Ensembles (DE) and Bayesian Neural Networks (BNNs). Two nuclear engineering examples are used to benchmark these methods, (1) time-dependent fission gas release data using the Bison code, and (2) void fraction simulation based on the BFBT benchmark using the TRACE code. It was found that the three methods typically require different DNN architectures and hyperparameters to optimize their performance. The UQ results also depend on the amount of training data available and the nature of the data. Overall, all these three methods can provide reasonable estimations of the approximation uncertainties. The uncertainties are generally smaller when the mean predictions are close to the test data, while the BNN methods usually produce larger uncertainties than MCD and DE.

The high-dimensionality and volume of large scale multistream data has inhibited significant research progress in developing an integrated monitoring and diagnostics (M&D) approach. This data, also categorized as big data, is becoming common in manufacturing plants. In this paper, we propose an integrated M\&D approach for large scale streaming data. We developed a novel monitoring method named Adaptive Principal Component monitoring (APC) which adaptively chooses PCs that are most likely to vary due to the change for early detection. Importantly, we integrate a novel diagnostic approach, Principal Component Signal Recovery (PCSR), to enable a streamlined SPC. This diagnostics approach draws inspiration from Compressed Sensing and uses Adaptive Lasso for identifying the sparse change in the process. We theoretically motivate our approaches and do a performance evaluation of our integrated M&D method through simulations and case studies.

With the development of high-throughput technologies, principal component analysis (PCA) in the high-dimensional regime is of great interest. Most of the existing theoretical and methodological results for high-dimensional PCA are based on the spiked population model in which all the population eigenvalues are equal except for a few large ones. Due to the presence of local correlation among features, however, this assumption may not be satisfied in many real-world datasets. To address this issue, we investigated the asymptotic behaviors of PCA under the generalized spiked population model. Based on the theoretical results, we proposed a series of methods for the consistent estimation of population eigenvalues, angles between the sample and population eigenvectors, correlation coefficients between the sample and population principal component (PC) scores, and the shrinkage bias adjustment for the predicted PC scores. Using numerical experiments and real data examples from the genetics literature, we showed that our methods can greatly reduce bias and improve prediction accuracy.