相关论文: Representation-Guided Discrete Molecular Graph Ret…
In real-world recommender systems, implicitly collected user feedback, while abundant, often includes noisy false-positive and false-negative interactions. The possible misinterpretations of the user-item interactions pose a significant…
Recent generative models based on score matching and flow matching have significantly advanced generation tasks, but their potential in discriminative tasks remains underexplored. Previous approaches, such as generative classifiers, have…
We present Distortion-Guided Restoration (DGR), a physics-informed hybrid CNN-diffusion framework for acquisition-free correction of severe susceptibility-induced distortions in prostate single-shot EPI diffusion-weighted imaging (DWI). DGR…
Discrete graph generation has emerged as a powerful paradigm for modeling graph data, often relying on highly expressive neural backbones such as transformers or higher-order architectures. We revisit this design choice by introducing…
The proposed method, Discriminator Guidance, aims to improve sample generation of pre-trained diffusion models. The approach introduces a discriminator that gives explicit supervision to a denoising sample path whether it is realistic or…
Various template-based and template-free approaches have been proposed for single-step retrosynthesis prediction in recent years. While these approaches demonstrate strong performance from a data-driven metrics standpoint, many model…
Generative Recommendation (GR) has become a promising paradigm for large-scale recommendation systems. However, existing GR models typically perform single-pass decoding without explicit refinement, causing early deviations to accumulate…
In recent times, large datasets hinder efficient model training while also containing redundant concepts. Dataset distillation aims to synthesize compact datasets that preserve the knowledge of large-scale training sets while drastically…
Coarse-grained (CG) models provide an effective route to reducing the complexity of molecular simulations (MD), but conventional approaches depend heavily on long all-atom MD trajectories to adequately sample configurational space. This…
The Dynamical Graph Grammar (DGG) formalism can describe complex system dynamics with graphs that are mapped into a master equation. An exact stochastic simulation algorithm may be used, but it is slow for large systems. To overcome this…
Prompt learning has demonstrated promising results in fine-tuning pre-trained multimodal models. However, the performance improvement is limited when applied to more complex and fine-grained tasks. The reason is that most existing methods…
Learning distributions of graphs can be used for automatic drug discovery, molecular design, complex network analysis, and much more. We present an improved framework for learning generative models of graphs based on the idea of deep state…
Deep generative models (DGMs) have been widely developed for graph data. However, much less investigation has been carried out on understanding the latent space of such pretrained graph DGMs. These understandings possess the potential to…
Facial emotion recognition (FER) models trained only on pixels often fail to generalize across datasets because facial appearance is an indirect and biased proxy for underlying affect. We present NeuroGaze-Distill, a cross-modal…
Synthesis planning is the process of recursively decomposing target molecules into available precursors. Computer-aided retrosynthesis can potentially assist chemists in designing synthetic routes, but at present it is cumbersome and…
Open-vocabulary 3D Scene Graph (3DSG) can enhance various downstream tasks in robotics by leveraging structured semantic representations, yet current 3DSG construction methods suffer from semantic inconsistencies caused by noisy cross-image…
Task-oriented knowledge graphs (KGs) enable AI-powered learning assistant systems to automatically generate high-quality multiple-choice questions (MCQs). Yet converting unstructured educational materials, such as lecture notes and slides,…
Autoregressive models excel in efficiency and plug directly into the transformer ecosystem, delivering robust generalization, predictable scalability, and seamless workflows such as fine-tuning and parallelized training. However, they…
Advancements in text-to-image generative AI with large multimodal models are spreading into the field of image compression, creating high-quality representation of images at extremely low bit rates. This work introduces novel components to…
Retrosynthesis is a procedure where a target molecule is transformed into potential reactants and thus the synthesis routes can be identified. Recently, computational approaches have been developed to accelerate the design of synthesis…