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Generative Flow Networks (GFlowNets) excel at sampling diverse, high-reward objects. In many practical applications where active reward queries are infeasible, these models must be trained using static offline datasets. Prevailing training…

Graph Neural Networks (GNNs) have achieved remarkable success across diverse applications, yet they remain limited by oversmoothing and poor performance on heterophilic graphs. To address these challenges, we introduce a novel framework…

Recently, graph convolutional networks (GCNs) have shown great potential for the task of graph matching. It can integrate graph node feature embedding, node-wise affinity learning and matching optimization together in a unified end-to-end…

Speech enhancement has benefited from the success of deep learning in terms of intelligibility and perceptual quality. Conventional time-frequency (TF) domain methods focus on predicting TF-masks or speech spectrum, via a naive convolution…

While generative recommendations (GR) possess strong sequential reasoning capabilities, they face significant challenges when processing extremely long user behavior sequences: the high computational cost forces practical sequence lengths…

Generative Flow Networks (GFNs) were initially introduced on directed acyclic graphs to sample from an unnormalized distribution density. Recent works have extended the theoretical framework for generative methods allowing more flexibility…

This paper proposes a Fast Graph Convolutional Neural Network (FGRNN) architecture to predict sequences with an underlying graph structure. The proposed architecture addresses the limitations of the standard recurrent neural network (RNN),…

Generative Flow Networks (or GFlowNets for short) are a family of probabilistic agents that learn to sample complex combinatorial structures through the lens of "inference as control". They have shown great potential in generating…

Curriculum learning provides a systematic approach to training. It refines training progressively, tailors training to task requirements, and improves generalization through exposure to diverse examples. We present a curriculum learning…

Generative Flow Networks or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a…

Molecular sciences address a wide range of problems involving molecules of different types and sizes and their complexes. Recently, geometric deep learning, especially Graph Neural Networks, has shown promising performance in molecular…

Despite a lot of research efforts devoted in recent years, how to efficiently learn long-term dependencies from sequences still remains a pretty challenging task. As one of the key models for sequence learning, recurrent neural network…

Many generative applications, such as synthesis-based 3D molecular design, involve constructing compositional objects with continuous features. Here, we introduce Compositional Generative Flows (CGFlow), a novel framework that extends flow…

Open-set image recognition is a challenging topic in computer vision. Most of the existing works in literature focus on learning more discriminative features from the input images, however, they are usually insensitive to the high- or…

The Lifelong Multi-Label (LML) image recognition builds an online class-incremental classifier in a sequential multi-label image recognition data stream. The key challenges of LML image recognition are the construction of label…

Recurrent Neural Networks (RNN) have recently achieved the best performance in off-line Handwriting Text Recognition. At the same time, learning RNN by gradient descent leads to slow convergence, and training times are particularly long…

We propose a framework using normalizing-flow based models, SELF-Referencing Embedded Strings, and multi-objective optimization that efficiently generates small molecules. With an initial training set of only 100 small molecules, FastFlows…

Graph Neural Networks (GNNs) have become popular across a diverse set of tasks in exploring structural relationships between entities. However, due to the highly connected structure of the datasets, distributed training of GNNs on…

Graph pre-training strategies have been attracting a surge of attention in the graph mining community, due to their flexibility in parameterizing graph neural networks (GNNs) without any label information. The key idea lies in encoding…

Goal-directed molecular generation requires satisfying heterogeneous constraints such as protein--ligand compatibility and multi-objective drug-like properties, yet existing methods often optimize these constraints in isolation, failing to…