相关论文: PepCVAE: Semi-Supervised Targeted Design of Antimi…

Without knowledge of specific pockets, generating ligands based on the global structure of a protein target plays a crucial role in drug discovery as it helps reduce the search space for potential drug-like candidates in the pipeline.…

Target proteins that lack accessible binding pockets and conformational stability have posed increasing challenges for drug development. Induced proximity strategies, such as PROTACs and molecular glues, have thus gained attention as…

Cyclic peptides offer inherent advantages in pharmaceuticals. For example, cyclic peptides are more resistant to enzymatic hydrolysis compared to linear peptides and usually exhibit excellent stability and affinity. Although deep generative…

Time series Anomaly Detection (AD) plays a crucial role for web systems. Various web systems rely on time series data to monitor and identify anomalies in real time, as well as to initiate diagnosis and remediation procedures. Variational…

Antimicrobial peptides are a class of small, usually positively charged amphiphilic peptides that are used by the innate immune system to combat bacterial infection in multicellular eukaryotes. Antimicrobial peptides are known for their…

Deep regression is an important problem with numerous applications. These range from computer vision tasks such as age estimation from photographs, to medical tasks such as ejection fraction estimation from echocardiograms for disease…

Computational protein design, i.e. inferring novel and diverse protein sequences consistent with a given structure, remains a major unsolved challenge. Recently, deep generative models that learn from sequences alone or from sequences and…

We propose a new unsupervised model for mapping a variable-duration speech segment to a fixed-dimensional representation. The resulting acoustic word embeddings can form the basis of search, discovery, and indexing systems for low- and…

With the introduction of the variational autoencoder (VAE), probabilistic latent variable models have received renewed attention as powerful generative models. However, their performance in terms of test likelihood and quality of generated…

This paper proposes a multichannel source separation technique called the multichannel variational autoencoder (MVAE) method, which uses a conditional VAE (CVAE) to model and estimate the power spectrograms of the sources in a mixture. By…

Generative modeling of set-structured data, such as point clouds, requires reasoning over local and global structures at various scales. However, adopting multi-scale frameworks for ordinary sequential data to a set-structured data is…

Contrastive Analysis VAE (CA-VAEs) is a family of Variational auto-encoders (VAEs) that aims at separating the common factors of variation between a background dataset (BG) (i.e., healthy subjects) and a target dataset (TG) (i.e., patients)…

Unsupervised visual defect detection is critical in industrial applications, requiring a representation space that captures normal data features while detecting deviations. Achieving a balance between expressiveness and compactness is…

In recent years, studies on image generation models of spiking neural networks (SNNs) have gained the attention of many researchers. Variational autoencoders (VAEs), as one of the most popular image generation models, have attracted a lot…

Antibodies offer great potential for the treatment of various diseases. However, the discovery of therapeutic antibodies through traditional wet lab methods is expensive and time-consuming. The use of generative models in designing…

We present PepEDiff, a novel peptide binder generator that designs binding sequences given a target receptor protein sequence and its pocket residues. Peptide binder generation is critical in therapeutic and biochemical applications, yet…

Multi-label classification is the challenging task of predicting the presence and absence of multiple targets, involving representation learning and label correlation modeling. We propose a novel framework for multi-label classification,…

Inverse design in nanophotonics remains challenging due to its ill-posed nature and sensitivity to input inaccuracies. We present a novel framework that combines a Conditional Variational Autoencoder (CVAE) with a tandem network, enabling…

Automatic molecule generation plays an important role on drug discovery and has received a great deal of attention in recent years thanks to deep learning successful use. Graph-based neural network represents state of the art methods on…

We present a novel method for constructing Variational Autoencoder (VAE). Instead of using pixel-by-pixel loss, we enforce deep feature consistency between the input and the output of a VAE, which ensures the VAE's output to preserve the…