CoFEND: A Cross-Modal Fusion End-to-End Network for Cold-Start Drug-Drug Interaction Prediction

Cold-start drug-drug interaction (DDI) prediction for new drugs is critical for minimizing unexpected adverse drug reactions. The key challenge is to capture similarity between new and known drugs. However, such similarity is closely associated with complex relationships and mechanisms among drugs, enzymes, transporters, molecular structures, and other biomedical entities. Existing methods have three limitations in capturing such similarity: (1) only partial relationships and mechanisms are considered, which overlooks cross-modal information and yields incomplete or biased similarity modeling; (2) similarity computation between new and known drugs is conducted separately across modalities and performed offline for cold-start DDI prediction, leading to misalignment between similarity computation and DDI prediction; and (3) existing interpretability analyses are typically single-modality and focus primarily on key determinants of the perpetrator drug, while the underlying causes of susceptibility for the victim drug are seldom investigated. To address these issues, this paper proposes a novel Cross-Modal-Fused End-to-End Learning Network (CMF-ELN) with three components. First, diverse multimodal information is leveraged to construct four types of drug-centered knowledge graphs, enabling comprehensive similarity modeling under reconstruction-based supervision. Second, a four-channel graph autoencoder is designed to fuse cross-modal similarity within an end-to-end learning framework. Finally, a two-stage interpretability scheme is devised to precisely localize key factors for both perpetrator and victim drugs. Extensive experiments on two real datasets demonstrate that CMF-ELN achieves significantly higher prediction accuracy and more comprehensive interpretability of mechanisms than its peers.

Adaptive Frequency Bin Interval in FFT via Dense Sampling Factor $α$

The Fast Fourier Transform (FFT) is a fundamental tool for signal analysis, widely used across various fields. However, traditional FFT methods encounter challenges in adjusting the frequency bin interval, which may impede accurate spectral analysis. In this study, we propose a method for adjusting the frequency bin interval in FFT by introducing a parameter $\alpha$. We elucidate the underlying principles of the proposed method and discuss its potential applications across various contexts. Our findings suggest that the proposed method offers a promising approach to overcome the limitations of traditional FFT methods and enhance spectral analysis accuracy.

A new type of window functions constructed with exponential function

The Discrete Fourier Transform (DFT) is widely utilized for signal analysis but is plagued by spectral leakage, leading to inaccuracies in signal approximation. Window functions play a crucial role in mitigating spectral leakage by providing weighting mechanisms for discrete signals. In this paper, we introduce a novel window type based on exponential function, allowing for adjustable parameters and diverse variations. We present the formulation, properties, and motivation behind the design of the new window functions. Additionally, we analyze their behavior and evaluate their performance by comparing them with mainstream window functions using six parameters. Our findings demonstrate that these new window functions exhibit outstanding flexibility and versatility in signal analysis.