Mol-CADiff: Causality-Aware Autoregressive Diffusion for Molecule Generation

The design of novel molecules with desired properties is a key challenge in drug discovery and materials science. Traditional methods rely on trial-and-error, while recent deep learning approaches have accelerated molecular generation. However, existing models struggle with generating molecules based on specific textual descriptions. We introduce Mol-CADiff, a novel diffusion-based framework that uses causal attention mechanisms for text-conditional molecular generation. Our approach explicitly models the causal relationship between textual prompts and molecular structures, overcoming key limitations in existing methods. We enhance dependency modeling both within and across modalities, enabling precise control over the generation process. Our extensive experiments demonstrate that Mol-CADiff outperforms state-of-the-art methods in generating diverse, novel, and chemically valid molecules, with better alignment to specified properties, enabling more intuitive language-driven molecular design.

CausalGeD: Blending Causality and Diffusion for Spatial Gene Expression Generation

The integration of single-cell RNA sequencing (scRNA-seq) and spatial transcriptomics (ST) data is crucial for understanding gene expression in spatial context. Existing methods for such integration have limited performance, with structural similarity often below 60\%, We attribute this limitation to the failure to consider causal relationships between genes. We present CausalGeD, which combines diffusion and autoregressive processes to leverage these relationships. By generalizing the Causal Attention Transformer from image generation to gene expression data, our model captures regulatory mechanisms without predefined relationships. Across 10 tissue datasets, CausalGeD outperformed state-of-the-art baselines by 5- 32\% in key metrics, including Pearson's correlation and structural similarity, advancing both technical and biological insights.

TSCMamba: Mamba Meets Multi-View Learning for Time Series Classification

Time series classification (TSC) on multivariate time series is a critical problem. We propose a novel multi-view approach integrating frequency-domain and time-domain features to provide complementary contexts for TSC. Our method fuses continuous wavelet transform spectral features with temporal convolutional or multilayer perceptron features. We leverage the Mamba state space model for efficient and scalable sequence modeling. We also introduce a novel tango scanning scheme to better model sequence relationships. Experiments on 10 standard benchmark datasets demonstrate our approach achieves an average 6.45% accuracy improvement over state-of-the-art TSC models.

TimeMachine: A Time Series is Worth 4 Mambas for Long-term Forecasting

Long-term time-series forecasting remains challenging due to the difficulty in capturing long-term dependencies, achieving linear scalability, and maintaining computational efficiency. We introduce TimeMachine, an innovative model that leverages Mamba, a state-space model, to capture long-term dependencies in multivariate time series data while maintaining linear scalability and small memory footprints. TimeMachine exploits the unique properties of time series data to produce salient contextual cues at multi-scales and leverage an innovative integrated quadruple-Mamba architecture to unify the handling of channel-mixing and channel-independence situations, thus enabling effective selection of contents for prediction against global and local contexts at different scales. Experimentally, TimeMachine achieves superior performance in prediction accuracy, scalability, and memory efficiency, as extensively validated using benchmark datasets. Code availability: https://github.com/Atik-Ahamed/TimeMachine

MambaTab: A Simple Yet Effective Approach for Handling Tabular Data

Tabular data remains ubiquitous across domains despite growing use of images and texts for machine learning. While deep learning models like convolutional neural networks and transformers achieve strong performance on tabular data, they require extensive data preprocessing, tuning, and resources, limiting accessibility and scalability. This work develops an innovative approach based on a structured state-space model (SSM), MambaTab, for tabular data. SSMs have strong capabilities for efficiently extracting effective representations from data with long-range dependencies. MambaTab leverages Mamba, an emerging SSM variant, for end-to-end supervised learning on tables. Compared to state-of-the-art baselines, MambaTab delivers superior performance while requiring significantly fewer parameters and minimal preprocessing, as empirically validated on diverse benchmark datasets. MambaTab's efficiency, scalability, generalizability, and predictive gains signify it as a lightweight, "out-of-the-box" solution for diverse tabular data with promise for enabling wider practical applications.