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Discrete diffusion models offer global context awareness and flexible parallel generation. However, uniform random noise schedulers in standard DLLM training overlook the highly non-uniform information density inherent in real-world…

Machine Learning · Computer Science 2026-03-18 Linrui Ma , Yufei Cui , Kai Han , Yunhe Wang

Optimizing instructions for large language models (LLMs) is critical for harnessing their full potential in complex and diverse tasks. However, relying solely on white-box approaches demands extensive computational resources and offers…

Computation and Language · Computer Science 2025-06-30 Yanwei Ren , Liu Liu , Baosheng Yu , Jiayan Qiu , Quan Chen

A popular approach to protein design is to combine a generative model with a discriminative model for conditional sampling. The generative model samples plausible sequences while the discriminative model guides a search for sequences with…

We propose denoising diffusion variational inference (DDVI), a black-box variational inference algorithm for latent variable models which relies on diffusion models as flexible approximate posteriors. Specifically, our method introduces an…

Machine Learning · Computer Science 2026-03-16 Wasu Top Piriyakulkij , Yingheng Wang , Volodymyr Kuleshov

Our study demonstrates the effective use of Large Language Models (LLMs) for automating the classification of complex datasets. We specifically target proposals of Decentralized Autonomous Organizations (DAOs), as the clas-sification of…

Computers and Society · Computer Science 2024-07-04 Christian Ziegler , Marcos Miranda , Guangye Cao , Gustav Arentoft , Doo Wan Nam

Bayesian Optimization (BO) is a key methodology for accelerating molecular discovery by estimating the mapping from molecules to their properties while seeking the optimal candidate. Typically, BO iteratively updates a probabilistic…

Machine Learning · Computer Science 2025-12-17 Qi Chen , Fabio Ramos , Alán Aspuru-Guzik , Florian Shkurti

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

The personalization of black-box large language models (LLMs) is a critical yet challenging task. Existing approaches predominantly rely on context injection, where user history is embedded into the prompt to directly guide the generation…

Computation and Language · Computer Science 2025-11-10 Teqi Hao , Xioayu Tan , Shaojie Shi , Yinghui Xu , Xihe Qiu

Black-Box Optimization (BBO) methods can find optimal policies for systems that interact with complex environments with no analytical representation. As such, they are of interest in many Artificial Intelligence (AI) domains. Yet classical…

Machine Learning · Computer Science 2020-06-17 Mor Sinay , Elad Sarafian , Yoram Louzoun , Noa Agmon , Sarit Kraus

Offline reinforcement learning (RL) aims to find a near-optimal policy using pre-collected datasets. In real-world scenarios, data collection could be costly and risky; therefore, offline RL becomes particularly challenging when the…

Machine Learning · Computer Science 2024-12-18 Ruizhe Shi , Yuyao Liu , Yanjie Ze , Simon S. Du , Huazhe Xu

Large Language Models (LLMs) have shown strong capabilities in Natural Language Understanding and Generation, but deploying them directly in online advertising systems is often impractical due to strict millisecond-level latency…

Autoregressive (AR) language models build representations incrementally via left-to-right prediction, while diffusion language models (dLLMs) are trained through full-sequence denoising. Although recent dLLMs match AR performance, whether…

Computation and Language · Computer Science 2026-05-11 Raghavv Goel , Risheek Garrepalli , Sudhanshu Agrawal , Chris Lott , Mingu Lee , Fatih Porikli

A key challenge in applying reinforcement learning (RL) to diffusion large language models (dLLMs) lies in the intractability of their likelihood functions, which are essential for the RL objective, necessitating corresponding approximation…

Machine Learning · Computer Science 2025-10-15 Nianyi Lin , Jiajie Zhang , Lei Hou , Juanzi Li

Diffusion language models (DLMs) expose their denoising trajectories, offering a natural handle for inference-time control; accordingly, an ideal hallucination mitigation framework should intervene during generation using this model-native…

Artificial Intelligence · Computer Science 2026-04-06 Yash Shah , Abhijit Chakraborty , Naresh Kumar Devulapally , Vishnu Lokhande , Vivek Gupta

Recent advances in Large Language Models (LLMs) have opened new perspectives for automation in optimization. While several studies have explored how LLMs can generate or solve optimization models, far less is understood about what these…

Artificial Intelligence · Computer Science 2025-12-16 Francesca Da Ros , Luca Di Gaspero , Kevin Roitero

Automatic Machine Learning (Auto-ML) systems tackle the problem of automating the design of prediction models or pipelines for data science. In this paper, we present Lifelong Bayesian Optimization (LBO), an online, multitask Bayesian…

Machine Learning · Statistics 2019-06-24 Yao Zhang , James Jordon , Ahmed M. Alaa , Mihaela van der Schaar

In this paper, we introduce a novel approach for addressing the multi-objective optimization problem in large language model merging via black-box multi-objective optimization algorithms. The goal of model merging is to combine multiple…

Computation and Language · Computer Science 2024-11-26 Bingdong Li , Zixiang Di , Yanting Yang , Hong Qian , Peng Yang , Hao Hao , Ke Tang , Aimin Zhou

Building scalable and reusable multi-agent decision policies from offline datasets remains a challenge in offline multi-agent reinforcement learning (MARL), as existing methods often rely on fixed observation formats and action spaces that…

Multiagent Systems · Computer Science 2026-04-28 Zhuohui Zhang , Bin Cheng , Bin He

Masked diffusion language models (MDLMs) have recently emerged as a new paradigm in language modeling, offering flexible generation dynamics and enabling efficient parallel decoding. However, existing decoding strategies for pre-trained…

Computation and Language · Computer Science 2026-03-17 Xueyu Zhou , Yangrong Hu , Jian Huang

Bayesian Optimization critically depends on the choice of acquisition function, but no single strategy is universally optimal; the best choice is non-stationary and problem-dependent. Existing adaptive portfolio methods often base their…

Machine Learning · Computer Science 2026-02-10 Giang Ngo , Dat Phan Trong , Dang Nguyen , Sunil Gupta , Svetha Venkatesh