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Retrieval-augmented generation (RAG) equips large language models (LLMs) with reliable knowledge memory. To strengthen cross-text associations, recent research integrates graphs and hypergraphs into RAG to capture pairwise and multi-entity…

The techniques of data-driven backmapping from coarse-grained (CG) to fine-grained (FG) representation often struggle with accuracy, unstable training, and physical realism, especially when applied to complex systems such as proteins. In…

Many real-world user queries (e.g. "How do to make egg fried rice?") could benefit from systems capable of generating responses with both textual steps with accompanying images, similar to a cookbook. Models designed to generate interleaved…

The advent of hyper-scale and general-purpose pre-trained models is shifting the paradigm of building task-specific models for target tasks. In the field of audio research, task-agnostic pre-trained models with high transferability and…

This work introduces a novel approach for the joint selection of model structure and parameter learning for nonlinear dynamical systems identification. Focusing on a specific Recurrent Neural Networks (RNNs) family, i.e., Nonlinear…

Modeling and generating graphs is fundamental for studying networks in biology, engineering, and social sciences. However, modeling complex distributions over graphs and then efficiently sampling from these distributions is challenging due…

Deep neural networks have produced significant progress among machine learning models in terms of accuracy and functionality, but their inner workings are still largely unknown. Attribution methods seek to shine a light on these "black box"…

Deep generative models are a class of techniques that train deep neural networks to model the distribution of training samples. Research has fragmented into various interconnected approaches, each of which make trade-offs including…

Learning with kernels is an important concept in machine learning. Standard approaches for kernel methods often use predefined kernels that require careful selection of hyperparameters. To mitigate this burden, we propose in this paper a…

Large pre-trained language models have been shown to store factual knowledge in their parameters, and achieve state-of-the-art results when fine-tuned on downstream NLP tasks. However, their ability to access and precisely manipulate…

We study unsupervised learning by developing introspective generative modeling (IGM) that attains a generator using progressively learned deep convolutional neural networks. The generator is itself a discriminator, capable of introspection:…

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

Machine learning requires exuberant amounts of data and computation. Also, models require equally excessive growth in the number of parameters. It is, therefore, sensible to look for technologies that reduce these demands on resources.…

Integrated Gradients (IG) and PatternAttribution (PA) are two established explainability methods for neural networks. Both methods are theoretically well-founded. However, they were designed to overcome different challenges. In this work,…

We introduce ARPG, a novel visual Autoregressive model that enables Randomized Parallel Generation, addressing the inherent limitations of conventional raster-order approaches, which hinder inference efficiency and zero-shot generalization…

Graph Neural Networks (GNNs) have achieved remarkable performance by taking advantage of graph data. The success of GNN models always depends on rich features and adjacent relationships. However, in practice, such data are usually isolated…

Graphs are increasingly becoming ubiquitous as models for structured data. A generative model that closely mimics the structural properties of a given set of graphs has utility in a variety of domains. Much of the existing work require that…

This paper explores the application of kernel learning methods for parameter prediction and evaluation in the Algebraic Multigrid Method (AMG), focusing on several Partial Differential Equation (PDE) problems. AMG is an efficient iterative…

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Autoregressive models, built based on the Next Token Prediction (NTP) paradigm, show great potential in developing a unified framework that integrates both language and vision tasks. Pioneering works introduce NTP to autoregressive visual…