Collaborative Multi-Agent Reinforcement Learning for Automated Feature Transformation with Graph-Driven Path Optimization

Feature transformation methods aim to find an optimal mathematical feature-feature crossing process that generates high-value features and improves the performance of downstream machine learning tasks. Existing frameworks, though designed to mitigate manual costs, often treat feature transformations as isolated operations, ignoring dynamic dependencies between transformation steps. To address the limitations, we propose TCTO, a collaborative multi-agent reinforcement learning framework that automates feature engineering through graph-driven path optimization. The framework's core innovation lies in an evolving interaction graph that models features as nodes and transformations as edges. Through graph pruning and backtracking, it dynamically eliminates low-impact edges, reduces redundant operations, and enhances exploration stability. This graph also provides full traceability to empower TCTO to reuse high-utility subgraphs from historical transformations. To demonstrate the efficacy and adaptability of our approach, we conduct comprehensive experiments and case studies, which show superior performance across a range of datasets.

Bridging Distribution Gaps in Time Series Foundation Model Pretraining with Prototype-Guided Normalization

Foundation models have achieved remarkable success across diverse machine-learning domains through large-scale pretraining on large, diverse datasets. However, pretraining on such datasets introduces significant challenges due to substantial mismatches in data distributions, a problem particularly pronounced with time series data. In this paper, we tackle this issue by proposing a domain-aware adaptive normalization strategy within the Transformer architecture. Specifically, we replace the traditional LayerNorm with a prototype-guided dynamic normalization mechanism (ProtoNorm), where learned prototypes encapsulate distinct data distributions, and sample-to-prototype affinity determines the appropriate normalization layer. This mechanism effectively captures the heterogeneity of time series characteristics, aligning pretrained representations with downstream tasks. Through comprehensive empirical evaluation, we demonstrate that our method significantly outperforms conventional pretraining techniques across both classification and forecasting tasks, while effectively mitigating the adverse effects of distribution shifts during pretraining. Incorporating ProtoNorm is as simple as replacing a single line of code. Extensive experiments on diverse real-world time series benchmarks validate the robustness and generalizability of our approach, advancing the development of more versatile time series foundation models.

Subset-Contrastive Multi-Omics Network Embedding

Motivation: Network-based analyses of omics data are widely used, and while many of these methods have been adapted to single-cell scenarios, they often remain memory- and space-intensive. As a result, they are better suited to batch data or smaller datasets. Furthermore, the application of network-based methods in multi-omics often relies on similarity-based networks, which lack structurally-discrete topologies. This limitation may reduce the effectiveness of graph-based methods that were initially designed for topologies with better defined structures. Results: We propose Subset-Contrastive multi-Omics Network Embedding (SCONE), a method that employs contrastive learning techniques on large datasets through a scalable subgraph contrastive approach. By exploiting the pairwise similarity basis of many network-based omics methods, we transformed this characteristic into a strength, developing an approach that aims to achieve scalable and effective analysis. Our method demonstrates synergistic omics integration for cell type clustering in single-cell data. Additionally, we evaluate its performance in a bulk multi-omics integration scenario, where SCONE performs comparable to the state-of-the-art despite utilising limited views of the original data. We anticipate that our findings will motivate further research into the use of subset contrastive methods for omics data.

UniFault: A Fault Diagnosis Foundation Model from Bearing Data

Machine fault diagnosis (FD) is a critical task for predictive maintenance, enabling early fault detection and preventing unexpected failures. Despite its importance, existing FD models are operation-specific with limited generalization across diverse datasets. Foundation models (FM) have demonstrated remarkable potential in both visual and language domains, achieving impressive generalization capabilities even with minimal data through few-shot or zero-shot learning. However, translating these advances to FD presents unique hurdles. Unlike the large-scale, cohesive datasets available for images and text, FD datasets are typically smaller and more heterogeneous, with significant variations in sampling frequencies and the number of channels across different systems and applications. This heterogeneity complicates the design of a universal architecture capable of effectively processing such diverse data while maintaining robust feature extraction and learning capabilities. In this paper, we introduce UniFault, a foundation model for fault diagnosis that systematically addresses these issues. Specifically, the model incorporates a comprehensive data harmonization pipeline featuring two key innovations. First, a unification scheme transforms multivariate inputs into standardized univariate sequences while retaining local inter-channel relationships. Second, a novel cross-domain temporal fusion strategy mitigates distribution shifts and enriches sample diversity and count, improving the model generalization across varying conditions. UniFault is pretrained on over 9 billion data points spanning diverse FD datasets, enabling superior few-shot performance. Extensive experiments on real-world FD datasets demonstrate that UniFault achieves SoTA performance, setting a new benchmark for fault diagnosis models and paving the way for more scalable and robust predictive maintenance solutions.

FastFT: Accelerating Reinforced Feature Transformation via Advanced Exploration Strategies

Feature Transformation is crucial for classic machine learning that aims to generate feature combinations to enhance the performance of downstream tasks from a data-centric perspective. Current methodologies, such as manual expert-driven processes, iterative-feedback techniques, and exploration-generative tactics, have shown promise in automating such data engineering workflow by minimizing human involvement. However, three challenges remain in those frameworks: (1) It predominantly depends on downstream task performance metrics, as assessment is time-consuming, especially for large datasets. (2) The diversity of feature combinations will hardly be guaranteed after random exploration ends. (3) Rare significant transformations lead to sparse valuable feedback that hinders the learning processes or leads to less effective results. In response to these challenges, we introduce FastFT, an innovative framework that leverages a trio of advanced strategies.We first decouple the feature transformation evaluation from the outcomes of the generated datasets via the performance predictor. To address the issue of reward sparsity, we developed a method to evaluate the novelty of generated transformation sequences. Incorporating this novelty into the reward function accelerates the model's exploration of effective transformations, thereby improving the search productivity. Additionally, we combine novelty and performance to create a prioritized memory buffer, ensuring that essential experiences are effectively revisited during exploration. Our extensive experimental evaluations validate the performance, efficiency, and traceability of our proposed framework, showcasing its superiority in handling complex feature transformation tasks.

Demystifying the Accuracy-Interpretability Trade-Off: A Case Study of Inferring Ratings from Reviews

Interpretable machine learning models offer understandable reasoning behind their decision-making process, though they may not always match the performance of their black-box counterparts. This trade-off between interpretability and model performance has sparked discussions around the deployment of AI, particularly in critical applications where knowing the rationale of decision-making is essential for trust and accountability. In this study, we conduct a comparative analysis of several black-box and interpretable models, focusing on a specific NLP use case that has received limited attention: inferring ratings from reviews. Through this use case, we explore the intricate relationship between the performance and interpretability of different models. We introduce a quantitative score called Composite Interpretability (CI) to help visualize the trade-off between interpretability and performance, particularly in the case of composite models. Our results indicate that, in general, the learning performance improves as interpretability decreases, but this relationship is not strictly monotonic, and there are instances where interpretable models are more advantageous.

Interpretable High-order Knowledge Graph Neural Network for Predicting Synthetic Lethality in Human Cancers

Synthetic lethality (SL) is a promising gene interaction for cancer therapy. Recent SL prediction methods integrate knowledge graphs (KGs) into graph neural networks (GNNs) and employ attention mechanisms to extract local subgraphs as explanations for target gene pairs. However, attention mechanisms often lack fidelity, typically generate a single explanation per gene pair, and fail to ensure trustworthy high-order structures in their explanations. To overcome these limitations, we propose Diverse Graph Information Bottleneck for Synthetic Lethality (DGIB4SL), a KG-based GNN that generates multiple faithful explanations for the same gene pair and effectively encodes high-order structures. Specifically, we introduce a novel DGIB objective, integrating a Determinant Point Process (DPP) constraint into the standard IB objective, and employ 13 motif-based adjacency matrices to capture high-order structures in gene representations. Experimental results show that DGIB4SL outperforms state-of-the-art baselines and provides multiple explanations for SL prediction, revealing diverse biological mechanisms underlying SL inference.

MAFE: Multi-Agent Fair Environments for Decision-Making Systems

Fairness constraints applied to machine learning (ML) models in static contexts have been shown to potentially produce adverse outcomes among demographic groups over time. To address this issue, emerging research focuses on creating fair solutions that persist over time. While many approaches treat this as a single-agent decision-making problem, real-world systems often consist of multiple interacting entities that influence outcomes. Explicitly modeling these entities as agents enables more flexible analysis of their interventions and the effects they have on a system's underlying dynamics. A significant challenge in conducting research on multi-agent systems is the lack of realistic environments that leverage the limited real-world data available for analysis. To address this gap, we introduce the concept of a Multi-Agent Fair Environment (MAFE) and present and analyze three MAFEs that model distinct social systems. Experimental results demonstrate the utility of our MAFEs as testbeds for developing multi-agent fair algorithms.

Time Series Domain Adaptation via Latent Invariant Causal Mechanism

Time series domain adaptation aims to transfer the complex temporal dependence from the labeled source domain to the unlabeled target domain. Recent advances leverage the stable causal mechanism over observed variables to model the domain-invariant temporal dependence. However, modeling precise causal structures in high-dimensional data, such as videos, remains challenging. Additionally, direct causal edges may not exist among observed variables (e.g., pixels). These limitations hinder the applicability of existing approaches to real-world scenarios. To address these challenges, we find that the high-dimension time series data are generated from the low-dimension latent variables, which motivates us to model the causal mechanisms of the temporal latent process. Based on this intuition, we propose a latent causal mechanism identification framework that guarantees the uniqueness of the reconstructed latent causal structures. Specifically, we first identify latent variables by utilizing sufficient changes in historical information. Moreover, by enforcing the sparsity of the relationships of latent variables, we can achieve identifiable latent causal structures. Built on the theoretical results, we develop the Latent Causality Alignment (LCA) model that leverages variational inference, which incorporates an intra-domain latent sparsity constraint for latent structure reconstruction and an inter-domain latent sparsity constraint for domain-invariant structure reconstruction. Experiment results on eight benchmarks show a general improvement in the domain-adaptive time series classification and forecasting tasks, highlighting the effectiveness of our method in real-world scenarios. Codes are available at https://github.com/DMIRLAB-Group/LCA.

Retrieving Filter Spectra in CNN for Explainable Sleep Stage Classification

Despite significant advances in deep learning-based sleep stage classification, the clinical adoption of automatic classification models remains slow. One key challenge is the lack of explainability, as many models function as black boxes with millions of parameters. In response, recent work has increasingly focussed on enhancing model explainability. This study contributes to these efforts by globally explaining spectral processing of individual EEG channels. Specifically, we introduce a method to retrieve the filter spectrum of low-level convolutional feature extraction and compare it with the classification-relevant spectral information in the data. We evaluate our approach on the MSA-CNN model using the ISRUC-S3 and Sleep-EDF-20 datasets. Our findings show that spectral processing plays a significant role in the lower frequency bands. In addition, comparing the correlation between filter spectrum and data-based spectral information with univariate performance indicates that the model naturally prioritises the most informative channels in a multimodal setting. We specify how these insights can be leveraged to enhance model performance. The code for the filter spectrum retrieval and its analysis is available at https://github.com/sgoerttler/MSA-CNN.