In the era of data-driven decision-making, the complexity of data analysis necessitates advanced expertise and tools of data science, presenting significant challenges even for specialists. Large Language Models (LLMs) have emerged as promising aids as data science agents, assisting humans in data analysis and processing. Yet their practical efficacy remains constrained by the varied demands of real-world applications and complicated analytical process. In this paper, we introduce DSEval -- a novel evaluation paradigm, as well as a series of innovative benchmarks tailored for assessing the performance of these agents throughout the entire data science lifecycle. Incorporating a novel bootstrapped annotation method, we streamline dataset preparation, improve the evaluation coverage, and expand benchmarking comprehensiveness. Our findings uncover prevalent obstacles and provide critical insights to inform future advancements in the field.

Precise aircraft recognition in low-resolution remote sensing imagery is a challenging yet crucial task in aviation, especially combat identification. This research addresses this problem with a novel, scalable, and AI-driven solution. The primary hurdle in combat identification in remote sensing imagery is the accurate recognition of Novel/Unknown types of aircraft in addition to Known types. Traditional methods, human expert-driven combat identification and image classification, fall short in identifying Novel classes. Our methodology employs similarity learning to discern features of a broad spectrum of military and civilian aircraft. It discerns both Known and Novel aircraft types, leveraging metric learning for the identification and supervised few-shot learning for aircraft type classification. To counter the challenge of limited low-resolution remote sensing data, we propose an end-to-end framework that adapts to the diverse and versatile process of military aircraft recognition by training a generalized embedder in fully supervised manner. Comparative analysis with earlier aircraft image classification methods shows that our approach is effective for aircraft image classification (F1-score Aircraft Type of 0.861) and pioneering for quantifying the identification of Novel types (F1-score Bipartitioning of 0.936). The proposed methodology effectively addresses inherent challenges in remote sensing data, thereby setting new standards in dataset quality. The research opens new avenues for domain experts and demonstrates unique capabilities in distinguishing various aircraft types, contributing to a more robust, domain-adapted potential for real-time aircraft recognition.

Node Importance Estimation (NIE) is a task of inferring importance scores of the nodes in a graph. Due to the availability of richer data and knowledge, recent research interests of NIE have been dedicating to knowledge graphs for predicting future or missing node importance scores. Existing state-of-the-art NIE methods train the model by available labels, and they consider every interested node equally before training. However, the nodes with higher importance often require or receive more attention in real-world scenarios, e.g., people may care more about the movies or webpages with higher importance. To this end, we introduce Label Informed ContrAstive Pretraining (LICAP) to the NIE problem for being better aware of the nodes with high importance scores. Specifically, LICAP is a novel type of contrastive learning framework that aims to fully utilize the continuous labels to generate contrastive samples for pretraining embeddings. Considering the NIE problem, LICAP adopts a novel sampling strategy called top nodes preferred hierarchical sampling to first group all interested nodes into a top bin and a non-top bin based on node importance scores, and then divide the nodes within top bin into several finer bins also based on the scores. The contrastive samples are generated from those bins, and are then used to pretrain node embeddings of knowledge graphs via a newly proposed Predicate-aware Graph Attention Networks (PreGAT), so as to better separate the top nodes from non-top nodes, and distinguish the top nodes within top bin by keeping the relative order among finer bins. Extensive experiments demonstrate that the LICAP pretrained embeddings can further boost the performance of existing NIE methods and achieve the new state-of-the-art performance regarding both regression and ranking metrics. The source code for reproducibility is available at https://github.com/zhangtia16/LICAP

Graph Neural Networks (GNNs) learn from graph-structured data by passing local messages between neighboring nodes along edges on certain topological layouts. Typically, these topological layouts in modern GNNs are deterministically computed (e.g., attention-based GNNs) or locally sampled (e.g., GraphSage) under heuristic assumptions. In this paper, we for the first time pose that these layouts can be globally sampled via Langevin dynamics following Boltzmann distribution equipped with explicit physical energy, leading to higher feasibility in the physical world. We argue that such a collection of sampled/optimized layouts can capture the wide energy distribution and bring extra expressivity on top of WL-test, therefore easing downstream tasks. As such, we propose Distributional Edge Layouts (DELs) to serve as a complement to a variety of GNNs. DEL is a pre-processing strategy independent of subsequent GNN variants, thus being highly flexible. Experimental results demonstrate that DELs consistently and substantially improve a series of GNN baselines, achieving state-of-the-art performance on multiple datasets.

In recent years, transformer models have revolutionized Natural Language Processing (NLP), achieving exceptional results across various tasks, including Sentiment Analysis (SA). As such, current state-of-the-art approaches for SA predominantly rely on transformer models alone, achieving impressive accuracy levels on benchmark datasets. In this paper, we show that the key for further improving the accuracy of such ensembles for SA is to include not only transformers, but also traditional NLP models, despite the inferiority of the latter compared to transformer models. However, as we empirically show, this necessitates a change in how the ensemble is constructed, specifically relying on the Hierarchical Ensemble Construction (HEC) algorithm we present. Our empirical studies across eight canonical SA datasets reveal that ensembles incorporating a mix of model types, structured via HEC, significantly outperform traditional ensembles. Finally, we provide a comparative analysis of the performance of the HEC and GPT-4, demonstrating that while GPT-4 closely approaches state-of-the-art SA methods, it remains outperformed by our proposed ensemble strategy.

Machine learning models are widely used in real-world applications. However, their complexity makes it often challenging to interpret the rationale behind their decisions. Counterfactual explanations (CEs) have emerged as a viable solution for generating comprehensible explanations in eXplainable Artificial Intelligence (XAI). CE provides actionable information to users on how to achieve the desired outcome with minimal modifications to the input. However, current CE algorithms usually operate within the entire feature space when optimizing changes to turn over an undesired outcome, overlooking the identification of key contributors to the outcome and disregarding the practicality of the suggested changes. In this study, we introduce a novel methodology, that is named as user feedback-based counterfactual explanation (UFCE), which addresses these limitations and aims to bolster confidence in the provided explanations. UFCE allows for the inclusion of user constraints to determine the smallest modifications in the subset of actionable features while considering feature dependence, and evaluates the practicality of suggested changes using benchmark evaluation metrics. We conducted three experiments with five datasets, demonstrating that UFCE outperforms two well-known CE methods in terms of \textit{proximity}, \textit{sparsity}, and \textit{feasibility}. Reported results indicate that user constraints influence the generation of feasible CEs.

The field of general time series analysis has recently begun to explore unified modeling, where a common architectural backbone can be retrained on a specific task for a specific dataset. In this work, we approach unification from a complementary vantage point: unification across tasks and domains. To this end, we explore the impact of discrete, learnt, time series data representations that enable generalist, cross-domain training. Our method, TOTEM, or TOkenized Time Series EMbeddings, proposes a simple tokenizer architecture that embeds time series data from varying domains using a discrete vectorized representation learned in a self-supervised manner. TOTEM works across multiple tasks and domains with minimal to no tuning. We study the efficacy of TOTEM with an extensive evaluation on 17 real world time series datasets across 3 tasks. We evaluate both the specialist (i.e., training a model on each domain) and generalist (i.e., training a single model on many domains) settings, and show that TOTEM matches or outperforms previous best methods on several popular benchmarks. The code can be found at: https://github.com/SaberaTalukder/TOTEM.

In the early stages of aerospace design, reduced order models (ROMs) are crucial for minimizing computational costs associated with using physics-rich field information in many-query scenarios requiring multiple evaluations. The intricacy of aerospace design demands the use of high-dimensional design spaces to capture detailed features and design variability accurately. However, these spaces introduce significant challenges, including the curse of dimensionality, which stems from both high-dimensional inputs and outputs necessitating substantial training data and computational effort. To address these complexities, this study introduces a novel multi-fidelity, parametric, and non-intrusive ROM framework designed for high-dimensional contexts. It integrates machine learning techniques for manifold alignment and dimension reduction employing Proper Orthogonal Decomposition (POD) and Model-based Active Subspace with multi-fidelity regression for ROM construction. Our approach is validated through two test cases: the 2D RAE~2822 airfoil and the 3D NASA CRM wing, assessing combinations of various fidelity levels, training data ratios, and sample sizes. Compared to the single-fidelity PCAS method, our multi-fidelity solution offers improved cost-accuracy benefits and achieves better predictive accuracy with reduced computational demands. Moreover, our methodology outperforms the manifold-aligned ROM (MA-ROM) method by 50% in handling scenarios with large input dimensions, underscoring its efficacy in addressing the complex challenges of aerospace design.

Particle filters are a frequent choice for inference tasks in nonlinear and non-Gaussian state-space models. They can either be used for state inference by approximating the filtering distribution or for parameter inference by approximating the marginal data (observation) likelihood. A good proposal distribution and a good resampling scheme are crucial to obtain low variance estimates. However, traditional methods like multinomial resampling introduce nondifferentiability in PF-based loss functions for parameter estimation, prohibiting gradient-based learning tasks. This work proposes a differentiable resampling scheme by deterministic sampling from an empirical cumulative distribution function. We evaluate our method on parameter inference tasks and proposal learning.

We introduce a modified incremental learning algorithm for evolving Granular Neural Network Classifiers (eGNN-C+). We use double-boundary hyper-boxes to represent granules, and customize the adaptation procedures to enhance the robustness of outer boxes for data coverage and noise suppression, while ensuring that inner boxes remain flexible to capture drifts. The classifier evolves from scratch, incorporates new classes on the fly, and performs local incremental feature weighting. As an application, we focus on the classification of emotion-related patterns within electroencephalogram (EEG) signals. Emotion recognition is crucial for enhancing the realism and interactivity of computer systems. We extract features from the Fourier spectrum of EEG signals obtained from 28 individuals engaged in playing computer games -- a public dataset. Each game elicits a different predominant emotion: boredom, calmness, horror, or joy. We analyze individual electrodes, time window lengths, and frequency bands to assess the accuracy and interpretability of resulting user-independent neural models. The findings indicate that both brain hemispheres assist classification, especially electrodes on the temporal (T8) and parietal (P7) areas, alongside contributions from frontal and occipital electrodes. While patterns may manifest in any band, the Alpha (8-13Hz), Delta (1-4Hz), and Theta (4-8Hz) bands, in this order, exhibited higher correspondence with the emotion classes. The eGNN-C+ demonstrates effectiveness in learning EEG data. It achieves an accuracy of 81.7% and a 0.0029 II interpretability using 10-second time windows, even in face of a highly-stochastic time-varying 4-class classification problem.