The process of ship design is intricate, heavily influenced by the hull form which accounts for approximately 70% of the total cost. Traditional methods rely on human-driven iterative processes based on naval architecture principles and engineering analysis. In contrast, generative AI presents a novel approach, utilizing computational algorithms rooted in machine learning and artificial intelligence to optimize ship hull design. This report outlines the systematic creation of a generative AI for this purpose, involving steps such as dataset collection, model architecture selection, training, and validation. Utilizing the "SHIP-D" dataset, consisting of 30,000 hull forms, the report adopts the Gaussian Mixture Model (GMM) as the generative model architecture. GMMs offer a statistical framework to analyze data distribution, crucial for generating innovative ship designs efficiently. Overall, this approach holds promise in revolutionizing ship design by exploring a broader design space and integrating multidisciplinary optimization objectives effectively.

Detecting test-time distribution shift has emerged as a key capability for safely deployed machine learning models, with the question being tackled under various guises in recent years. In this paper, we aim to provide a consolidated view of the two largest sub-fields within the community: out-of-distribution (OOD) detection and open-set recognition (OSR). In particular, we aim to provide rigorous empirical analysis of different methods across settings and provide actionable takeaways for practitioners and researchers. Concretely, we make the following contributions: (i) We perform rigorous cross-evaluation between state-of-the-art methods in the OOD detection and OSR settings and identify a strong correlation between the performances of methods for them; (ii) We propose a new, large-scale benchmark setting which we suggest better disentangles the problem tackled by OOD detection and OSR, re-evaluating state-of-the-art OOD detection and OSR methods in this setting; (iii) We surprisingly find that the best performing method on standard benchmarks (Outlier Exposure) struggles when tested at scale, while scoring rules which are sensitive to the deep feature magnitude consistently show promise; and (iv) We conduct empirical analysis to explain these phenomena and highlight directions for future research. Code: https://github.com/Visual-AI/Dissect-OOD-OSR

Graph neural networks (GNNs) have excelled in predictive modeling for both crystals and molecules, owing to the expressiveness of graph representations. High-entropy alloys (HEAs), however, lack chemical long-range order, limiting the applicability of current graph representations. To overcome this challenge, we propose a representation of HEAs as a collection of local environment (LE) graphs. Based on this representation, we introduce the LESets machine learning model, an accurate, interpretable GNN for HEA property prediction. We demonstrate the accuracy of LESets in modeling the mechanical properties of quaternary HEAs. Through analyses and interpretation, we further extract insights into the modeling and design of HEAs. In a broader sense, LESets extends the potential applicability of GNNs to disordered materials with combinatorial complexity formed by diverse constituents and their flexible configurations.

State-of-the-art approaches in time series generation (TSG), such as TimeVQVAE, utilize vector quantization-based tokenization to effectively model complex distributions of time series. These approaches first learn to transform time series into a sequence of discrete latent vectors, and then a prior model is learned to model the sequence. The discrete latent vectors, however, only capture low-level semantics (\textit{e.g.,} shapes). We hypothesize that higher-fidelity time series can be generated by training a prior model on more informative discrete latent vectors that contain both low and high-level semantics (\textit{e.g.,} characteristic dynamics). In this paper, we introduce a novel framework, termed NC-VQVAE, to integrate self-supervised learning into those TSG methods to derive a discrete latent space where low and high-level semantics are captured. Our experimental results demonstrate that NC-VQVAE results in a considerable improvement in the quality of synthetic samples.

Unsupervised clustering has emerged as a critical tool for uncovering hidden patterns and insights from vast, unlabeled datasets. However, traditional methods like Partitioning Around Medoids (PAM) struggle with scalability due to their quadratic computational complexity. To address this limitation, we introduce WOA-kMedoids, a novel unsupervised clustering method that incorporates the Whale Optimization Algorithm (WOA), a nature-inspired metaheuristic inspired by the hunting strategies of humpback whales. By optimizing centroid selection, WOA-kMedoids reduces computational complexity of the k-medoids algorithm from quadratic to near-linear with respect to the number of observations. This improvement in efficiency enables WOA-kMedoids to be scalable to large datasets while maintaining high clustering accuracy. We evaluated the performance of WOA-kMedoids on 25 diverse time series datasets from the UCR archive. Our empirical results demonstrate that WOA-kMedoids maintains clustering accuracy similar to PAM. While WOA-kMedoids exhibited slightly higher runtime than PAM on small datasets (less than 300 observations), it outperformed PAM in computational efficiency on larger datasets. The scalability of WOA-kMedoids, combined with its consistently high accuracy, positions it as a promising and practical choice for unsupervised clustering in big data applications. WOA-kMedoids has implications for efficient knowledge discovery in massive, unlabeled datasets across various domains.

The significant fluctuations in stock index prices in recent years highlight the critical need for accurate forecasting to guide investment and financial strategies. This study introduces a novel composite forecasting framework that integrates variational mode decomposition (VMD), PatchTST, and adaptive scale-weighted layer (ASWL) to address these challenges. Utilizing datasets of four major stock indices--SP500, DJI, SSEC, and FTSE--from 2000 to 2024, the proposed method first decomposes the raw price series into intrinsic mode functions (IMFs) using VMD. Each IMF is then modeled with PatchTST to capture temporal patterns effectively. The ASWL module is applied to incorporate scale information, enhancing prediction accuracy. The final forecast is derived by aggregating predictions from all IMFs. The VMD-PatchTST-ASWL framework demonstrates significant improvements in forecasting accuracy compared to traditional models, showing robust performance across different indices. This innovative approach provides a powerful tool for stock index price forecasting, with potential applications in various financial analysis and investment decision-making contexts.

With the rapid advancement of internet technology, the adaptability of adolescents to online learning has emerged as a focal point of interest within the educational sphere. However, the academic community's efforts to develop predictive models for adolescent online learning adaptability require further refinement and expansion. Utilizing data from the "Chinese Adolescent Online Education Survey" spanning the years 2014 to 2016, this study implements five machine learning algorithms - logistic regression, K-nearest neighbors, random forest, XGBoost, and CatBoost - to analyze the factors influencing adolescent online learning adaptability and to determine the model best suited for prediction. The research reveals that the duration of courses, the financial status of the family, and age are the primary factors affecting students' adaptability in online learning environments. Additionally, age significantly impacts students' adaptive capacities. Among the predictive models, the random forest, XGBoost, and CatBoost algorithms demonstrate superior forecasting capabilities, with the random forest model being particularly adept at capturing the characteristics of students' adaptability.

A common setting in astronomy is the availability of a small number of high-quality observations, and larger amounts of either lower-quality observations or synthetic data from simplified models. Time-domain astrophysics is a canonical example of this imbalance, with the number of supernovae observed photometrically outpacing the number observed spectroscopically by multiple orders of magnitude. At the same time, no data-driven models exist to understand these photometric and spectroscopic observables in a common context. Contrastive learning objectives, which have grown in popularity for aligning distinct data modalities in a shared embedding space, provide a potential solution to extract information from these modalities. We present Maven, the first foundation model for supernova science. To construct Maven, we first pre-train our model to align photometry and spectroscopy from 0.5M synthetic supernovae using a constrastive objective. We then fine-tune the model on 4,702 observed supernovae from the Zwicky Transient Facility. Maven reaches state-of-the-art performance on both classification and redshift estimation, despite the embeddings not being explicitly optimized for these tasks. Through ablation studies, we show that pre-training with synthetic data improves overall performance. In the upcoming era of the Vera C. Rubin Observatory, Maven serves as a Rosetta Stone for leveraging large, unlabeled and multimodal time-domain datasets.

Federated graph learning (FGL) has emerged as a promising distributed training paradigm for graph neural networks across multiple local systems without direct data sharing. This approach is particularly beneficial in privacy-sensitive scenarios and offers a new perspective on addressing scalability challenges in large-scale graph learning. Despite the proliferation of FGL, the diverse motivations from practical applications, spanning various research backgrounds and experimental settings, pose a significant challenge to fair evaluation. To fill this gap, we propose OpenFGL, a unified benchmark designed for the primary FGL scenarios: Graph-FL and Subgraph-FL. Specifically, OpenFGL includes 38 graph datasets from 16 application domains, 8 federated data simulation strategies that emphasize graph properties, and 5 graph-based downstream tasks. Additionally, it offers 18 recently proposed SOTA FGL algorithms through a user-friendly API, enabling a thorough comparison and comprehensive evaluation of their effectiveness, robustness, and efficiency. Empirical results demonstrate the ability of FGL while also revealing its potential limitations, offering valuable insights for future exploration in this thriving field.

Contextual bandits serve as a fundamental algorithmic framework for optimizing recommendation decisions online. Though extensive attention has been paid to tailoring contextual bandits for recommendation applications, the "herding effects" in user feedback have been ignored. These herding effects bias user feedback toward historical ratings, breaking down the assumption of unbiased feedback inherent in contextual bandits. This paper develops a novel variant of the contextual bandit that is tailored to address the feedback bias caused by the herding effects. A user feedback model is formulated to capture this feedback bias. We design the TS-Conf (Thompson Sampling under Conformity) algorithm, which employs posterior sampling to balance the exploration and exploitation tradeoff. We prove an upper bound for the regret of the algorithm, revealing the impact of herding effects on learning speed. Extensive experiments on datasets demonstrate that TS-Conf outperforms four benchmark algorithms. Analysis reveals that TS-Conf effectively mitigates the negative impact of herding effects, resulting in faster learning and improved recommendation accuracy.