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This work explores the challenging problem of molecule design by framing it as a conditional generative modeling task, where target biological properties or desired chemical constraints serve as conditioning variables. We propose the Latent…

Diffusion Multi-modal Large Language Models (dMLLMs) have recently emerged as a novel architecture unifying image generation and understanding. However, developing effective and efficient Test-Time Scaling (TTS) methods to unlock their full…

Computer Vision and Pattern Recognition · Computer Science 2026-04-09 Yi Xin , Siqi Luo , Tianxiang Xu , Qi Qin , Haoxing Chen , Kaiwen Zhu , Zhiwei Zhang , Yangfan He , Rongchao Zhang , Jinbin Bai , Shuo Cao , Bin Fu , Junjun He , Yihao Liu , Yuewen Cao , Xiaohong Liu

Prior masked modeling motion generation methods predominantly study text-to-motion. We present DiMo, a discrete diffusion-style framework, which extends masked modeling to bidirectional text--motion understanding and generation. Unlike…

Computer Vision and Pattern Recognition · Computer Science 2026-02-09 Ning Zhang , Zhengyu Li , Kwong Weng Loh , Mingxi Xu , Qi Wang , Zhengyu Wen , Xiaoyu He , Wei Zhao , Kehong Gong , Mingyuan Zhang

Travel behavior prediction is a core problem in transportation demand management and is traditionally addressed using numerical models calibrated on observed data. With recent advances in large language models (LLMs), new opportunities have…

Machine Learning · Computer Science 2026-03-12 Baichuan Mo , Hanyong Xu , Ruoyun Ma , Jung-Hoon Cho , Dingyi Zhuang , Xiaotong Guo , Jinhua Zhao

While large language models (LLMs) show great potential in temporal reasoning, most existing work focuses heavily on enhancing performance, often neglecting the explainable reasoning processes underlying the results. To address this gap, we…

Computation and Language · Computer Science 2025-05-22 Zihao Jiang , Ben Liu , Miao Peng , Wenjie Xu , Yao Xiao , Zhenyan Shan , Min Peng

Evaluating the quality of reasoning traces from large language models remains understudied, labor-intensive, and unreliable: current practice relies on expert rubrics, manual annotation, and slow pairwise judgments. Automated efforts are…

Artificial Intelligence · Computer Science 2026-05-28 Xue Wen Tan , Nathaniel Tan , Galen Lee , Stanley Kok

Large language models, LLMs, are increasingly deployed in multiturn settings where earlier responses shape later ones, making reliability dependent on whether a conversation remains consistent over time. When this consistency degrades…

Computation and Language · Computer Science 2026-04-20 Wael Hafez , Amir Nazeri

Controllable generation is a fundamental task in NLP with many applications, providing a basis for function calling to agentic communication. However, even state-of-the-art autoregressive Large Language Models (LLMs) today exhibit…

Computation and Language · Computer Science 2025-09-29 Zhen Xiong , Yujun Cai , Zhecheng Li , Yiwei Wang

In spite of the remarkable potential of Latent Diffusion Models (LDMs) in image generation, the desired properties and optimal design of the autoencoders have been underexplored. In this work, we analyze the role of autoencoders in LDMs and…

Computer Vision and Pattern Recognition · Computer Science 2025-10-23 Junho Lee , Jeongwoo Shin , Hyungwook Choi , Joonseok Lee

We tackle the question of whether Large Language Models (LLMs), viewed as dynamical systems with state evolving in the embedding space of symbolic tokens, are observable. That is, whether there exist multiple 'mental' state trajectories…

Artificial Intelligence · Computer Science 2024-05-24 Tian Yu Liu , Stefano Soatto , Matteo Marchi , Pratik Chaudhari , Paulo Tabuada

Manifold models provide low-dimensional representations that are useful for processing and analyzing data in a transformation-invariant way. In this paper, we study the problem of learning smooth pattern transformation manifolds from image…

Computer Vision and Pattern Recognition · Computer Science 2013-05-20 Elif Vural , Pascal Frossard

Transformer-based Large Language Models (LLMs) traditionally rely on final-layer loss for training and final-layer representations for predictions, potentially overlooking the predictive power embedded in intermediate layers. Surprisingly,…

Computation and Language · Computer Science 2024-10-18 Haoyan Luo , Lucia Specia

Controlled Text Generation (CTG) aims to produce texts that exhibit specific desired attributes. In this study, we introduce a pluggable CTG framework for Large Language Models (LLMs) named Dynamic Attribute Graphs-based controlled text…

Computation and Language · Computer Science 2024-05-27 Xun Liang , Hanyu Wang , Shichao Song , Mengting Hu , Xunzhi Wang , Zhiyu Li , Feiyu Xiong , Bo Tang

Diffusion models have achieved great success in modeling continuous data modalities such as images, audio, and video, but have seen limited use in discrete domains such as language. Recent attempts to adapt diffusion to language have…

Computation and Language · Computer Science 2023-11-08 Justin Lovelace , Varsha Kishore , Chao Wan , Eliot Shekhtman , Kilian Q. Weinberger

This paper proposes a novel conceptualization of Large Language Models (LLMs) as externalized informational substrates that function analogously to DNA for human cultural dynamics. Rather than viewing LLMs as either autonomous intelligence…

Computation and Language · Computer Science 2025-06-30 Parham Pourdavood , Michael Jacob , Terrence Deacon

Smooth dynamics interrupted by discontinuities are known as hybrid systems and arise commonly in nature. Latent ODEs allow for powerful representation of irregularly sampled time series but are not designed to capture trajectories arising…

Machine Learning · Computer Science 2021-06-11 Ruian Shi , Quaid Morris

Large Language Models (LLMs) are becoming increasingly popular in pervasive computing due to their versatility and strong performance. However, despite their ubiquitous use, the exact mechanisms underlying their outstanding performance…

Computation and Language · Computer Science 2026-02-02 Alhassan Abdelhalim , Janick Edinger , Sören Laue , Michaela Regneri

Large language models (LLMs) have demonstrated remarkable capabilities, but their outputs can sometimes be unreliable or factually incorrect. To address this, we introduce Self Logits Evolution Decoding (SLED), a novel decoding framework…

Computation and Language · Computer Science 2025-08-21 Jianyi Zhang , Da-Cheng Juan , Cyrus Rashtchian , Chun-Sung Ferng , Heinrich Jiang , Yiran Chen

Unlike autoregressive language models, which terminate variable-length generation upon predicting an End-of-Sequence (EoS) token, Diffusion Language Models (DLMs) operate over a fixed maximum-length context window for a predetermined number…

Computation and Language · Computer Science 2026-03-09 Vittorio Rossi , Giacomo Cirò , Davide Beltrame , Luca Gandolfi , Paul Röttger , Dirk Hovy

Large Language Models (LLMs) are increasingly used to generate textual explanations of process models discovered from event logs. Producing explanations from large behavioral abstractions (e.g., directly-follows graphs or Petri nets) can be…

Machine Learning · Computer Science 2025-10-14 P. van Oerle , R. H. Bemthuis , F. A. Bukhsh