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The capacity of Large Language Models (LLMs) to generate valid scientific hypotheses for materials synthesis remains largely unquantified, hindered by the absence of benchmarks probing physicochemical logics reasoning. To address this, we…

Materials Science · Physics 2025-10-01 Yingming Pu , Tao Lin , Hongyu Chen

We propose a method to guide Large Language Models (LLMs) in generating structured content adhering to specific conventions without fine-tuning. By utilizing coroutine-based content generation constraints through a pre-agreed context-free…

Software Engineering · Computer Science 2024-04-23 Jiaye Wang

Controllable layout generation aims at synthesizing plausible arrangement of element bounding boxes with optional constraints, such as type or position of a specific element. In this work, we try to solve a broad range of layout generation…

Computer Vision and Pattern Recognition · Computer Science 2023-03-15 Naoto Inoue , Kotaro Kikuchi , Edgar Simo-Serra , Mayu Otani , Kota Yamaguchi

Text-to-image diffusion models exhibit remarkable generative capabilities, but lack precise control over object counts and spatial arrangements. This work introduces a two-stage system to address these compositional limitations. The first…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 Jan-Hendrik Koch , Jonas Krumme , Konrad Gadzicki

Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as molecule design. Inspired by the recent huge success of Stable…

Machine Learning · Computer Science 2023-05-03 Minkai Xu , Alexander Powers , Ron Dror , Stefano Ermon , Jure Leskovec

We present Liquid, an auto-regressive generation paradigm that seamlessly integrates visual comprehension and generation by tokenizing images into discrete codes and learning these code embeddings alongside text tokens within a shared…

Computer Vision and Pattern Recognition · Computer Science 2025-04-14 Junfeng Wu , Yi Jiang , Chuofan Ma , Yuliang Liu , Hengshuang Zhao , Zehuan Yuan , Song Bai , Xiang Bai

Lidar point cloud synthesis based on generative models offers a promising solution to augment deep learning pipelines, particularly when real-world data is scarce or lacks diversity. By enabling flexible object manipulation, this synthesis…

Computer Vision and Pattern Recognition · Computer Science 2025-07-01 Zhengkang Xiang , Zizhao Li , Amir Khodabandeh , Kourosh Khoshelham

In recent years, graph neural network (GNN) based approaches have emerged as a powerful technique to encode complex topological structure of crystal materials in an enriched representation space. These models are often supervised in nature…

Machine Learning · Computer Science 2023-01-18 Kishalay Das , Bidisha Samanta , Pawan Goyal , Seung-Cheol Lee , Satadeep Bhattacharjee , Niloy Ganguly

Multimodal Large Language Models (MLLMs) have achieved remarkable performance by integrating powerful language backbones with large-scale visual encoders. Among these, latent Chain-of-Thought (CoT) methods enable implicit reasoning in…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Yang Zhang , Danyang Li , Yuxuan Li , Xin Zhang , Tianyu Xie , Mingming Cheng , Xiang Li

Large Language Models (LLMs) have achieved state-of-the-art performance on a broad range of Natural Language Processing (NLP) tasks, including document processing and code generation. Autoregressive Language Models (ARMs), which generate…

Discovering new materials is a challenging task in materials science crucial to the progress of human society. Conventional approaches based on experiments and simulations are labor-intensive or costly with success heavily depending on…

Diffusion-based large language models (dLLMs) have emerged as a promising alternative to autoregressive (AR) LLMs, leveraging denoising-based generation to enable inherent parallelism. Even more and more open-sourced dLLM models emerge, yet…

Large Language Models (LLMs) specializing in code generation (which are also often referred to as code LLMs), e.g., StarCoder and Code Llama, play increasingly critical roles in various software development scenarios. It is also crucial for…

Diffusion Language Models (DLMs) have emerged as a promising new paradigm for text generative modeling, potentially addressing limitations of autoregressive (AR) models. However, current DLMs have been studied at a smaller scale compared to…

Computation and Language · Computer Science 2025-06-03 Shansan Gong , Shivam Agarwal , Yizhe Zhang , Jiacheng Ye , Lin Zheng , Mukai Li , Chenxin An , Peilin Zhao , Wei Bi , Jiawei Han , Hao Peng , Lingpeng Kong

Multimodal large language models (MLLMs) extend the capabilities of large language models (LLMs) by combining heterogeneous model architectures to handle diverse modalities like images and audio. However, this inherent heterogeneity in MLLM…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-26 Insu Jang , Runyu Lu , Nikhil Bansal , Ang Chen , Mosharaf Chowdhury

Controlling the behavior of language models (LMs) without re-training is a major open problem in natural language generation. While recent works have demonstrated successes on controlling simple sentence attributes (e.g., sentiment), there…

Computation and Language · Computer Science 2022-05-31 Xiang Lisa Li , John Thickstun , Ishaan Gulrajani , Percy Liang , Tatsunori B. Hashimoto

Although diffusion models have achieved remarkable progress in multi-modal magnetic resonance imaging (MRI) translation tasks, existing methods still tend to suffer from anatomical inconsistencies or degraded texture details when handling…

Image and Video Processing · Electrical Eng. & Systems 2026-03-16 Jianqiang Lin , Zhiqiang Shen , Peng Cao , Jinzhu Yang , Osmar R. Zaiane , Xiaoli Liu

n this work, we propose a latent molecular diffusion model that can make the generated 3D molecules rich in diversity and maintain rich geometric features. The model captures the information of the forces and local constraints between atoms…

Machine Learning · Computer Science 2024-12-06 Xiang Chen

Text-conditioned diffusion models have emerged as a promising tool for neural video generation. However, current models still struggle with intricate spatiotemporal prompts and often generate restricted or incorrect motion. To address these…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Long Lian , Baifeng Shi , Adam Yala , Trevor Darrell , Boyi Li

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…

Machine Learning · Computer Science 2026-04-14 Yanting Li , Zhuoyang Jiang , Enyan Dai , Lei Wang , Wen-Cai Ye , Li Liu