相关论文: AgForce Enables Antigen-conditioned Generative Ant…

Current Generative Adversarial Network (GAN)-based approaches for time series generation face challenges such as suboptimal convergence, information loss in embedding spaces, and instability. To overcome these challenges, we introduce an…

Empirical networked systems are often only partially observed: sampling frames, crawling policies, privacy constraints, and temporal gaps can leave actors and edges unobserved. This complicates robustness and sensitivity analysis because…

Antigen-antibody binding is a critical process in the immune response. Although recent progress has advanced antibody design, current methods lack a generative framework for end-to-end modeling of full-atom antibody structures and struggle…

In this paper, we present a simple approach to train Generative Adversarial Networks (GANs) in order to avoid a \textit {mode collapse} issue. Implicit models such as GANs tend to generate better samples compared to explicit models that are…

Adversarial robustness has emerged as an important topic in deep learning as carefully crafted attack samples can significantly disturb the performance of a model. Many recent methods have proposed to improve adversarial robustness by…

Adversarial examples reveal the blind spots of deep neural networks (DNNs) and represent a major concern for security-critical applications. The transferability of adversarial examples makes real-world attacks possible in black-box…

The key to device-edge co-inference paradigm is to partition models into computation-friendly and computation-intensive parts across the device and the edge, respectively. However, for Graph Neural Networks (GNNs), we find that simply…

In the realm of Graph Neural Networks (GNNs), two exciting research directions have recently emerged: Subgraph GNNs and Graph Transformers. In this paper, we propose an architecture that integrates both approaches, dubbed Subgraphormer,…

This paper investigates the application of the transformer architecture in protein folding, as exemplified by DeepMind's AlphaFold project, and its implications for the understanding of so-called large language models. The prevailing…

Breakthroughs in high-accuracy protein structure prediction, such as AlphaFold, have established receptor-based molecule design as a critical driver for rapid early-phase drug discovery. However, most approaches still struggle to balance…

Graph Convolutional Networks (GCNs) have emerged as the state-of-the-art method for graph-based learning tasks. However, training GCNs at scale is still challenging, hindering both the exploration of more sophisticated GCN architectures and…

We present a simple and effective approach to incorporating syntactic structure into neural attention-based encoder-decoder models for machine translation. We rely on graph-convolutional networks (GCNs), a recent class of neural networks…

Generative adversarial network (GAN) has been shown to be useful in various applications, such as image recognition, text processing and scientific computing, due its strong ability to learn complex data distributions. In this study, a…

We introduce Active Predictive Coding Networks (APCNs), a new class of neural networks that solve a major problem posed by Hinton and others in the fields of artificial intelligence and brain modeling: how can neural networks learn…

Generative AI deployment poses unprecedented challenges to content safety and privacy. However, existing defense mechanisms are often tailored to specific architectures (e.g., Diffusion Models or GANs), creating fragile "defense silos" that…

Antibody therapeutics are among the most successful modern medicines, yet computationally designing antibodies with desirable binding and developability properties remains challenging. While protein language models (pLMs) have emerged as…

Feature-based anomaly detection is widely adopted in industrial inspection due to the strong representational power of large pre-trained vision encoders. While most existing methods focus on improving within-category anomaly scoring,…

Generative modeling frameworks have emerged as an effective approach to capture high-dimensional image distributions from large datasets without requiring domain-specific knowledge, a capability essential for longitudinal disease…

In the field of antibody engineering, an essential task is to design a novel antibody whose paratopes bind to a specific antigen with correct epitopes. Understanding antibody structure and its paratope can facilitate a mechanistic…

The state-of-the-art approaches in Generative Adversarial Networks (GANs) are able to learn a mapping function from one image domain to another with unpaired image data. However, these methods often produce artifacts and can only be able to…