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The increasing prevalence of large language models (LLMs) such as GPT-4 in various applications has led to a surge in the size of prompts required for optimal performance, leading to challenges in computational efficiency. Prompt…

Computation and Language · Computer Science 2024-12-19 Shivam Shandilya , Menglin Xia , Supriyo Ghosh , Huiqiang Jiang , Jue Zhang , Qianhui Wu , Victor Rühle

Text-to-image generative models have recently attracted considerable interest, enabling the synthesis of high-quality images from textual prompts. However, these models often lack the capability to generate specific subjects from given…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Yanting Miao , William Loh , Suraj Kothawade , Pascal Poupart , Abdullah Rashwan , Yeqing Li

We design a deep reinforcement learning algorithm to explore a high-dimensional integer lattice with sparse rewards, training a feedforward neural network as a dynamic search heuristic to steer exploration toward reward dense regions. We…

Algebraic Geometry · Mathematics 2026-03-17 Marc Truter

Predictive materials synthesis is the primary bottleneck in realizing new functional and quantum materials. Strategies for synthesis of promising materials are currently identified by time-consuming trial and error approaches and there are…

Large language models trained with reinforcement learning with verifiable rewards tend to trade accuracy for length--inflating response lengths to achieve gains in accuracy. While longer answers may be warranted for harder problems, many…

Computation and Language · Computer Science 2025-08-14 Vaishnavi Shrivastava , Ahmed Awadallah , Vidhisha Balachandran , Shivam Garg , Harkirat Behl , Dimitris Papailiopoulos

Generative multimodal content is increasingly prevalent in much of the content creation arena, as it has the potential to allow artists and media personnel to create pre-production mockups by quickly bringing their ideas to life. The…

The disconnect between AI-generated molecules with desirable properties and their synthetic feasibility remains a critical bottleneck in computational discovery of drugs and materials. While generative AI has accelerated the proposal of…

Chemical Physics · Physics 2025-11-25 Shuan Chen , Gunwook Nam , Alan Aspuru-Guzik , Yousung Jung

Recent studies have demonstrated the efficacy of integrating Group Relative Policy Optimization (GRPO) into flow matching models, particularly for text-to-image and text-to-video generation. However, we find that directly applying these…

Computer Vision and Pattern Recognition · Computer Science 2026-05-27 Jin Wang , Jianxiang Lu , Guangzheng Xu , Comi Chen , Haoyu Yang , Linqing Wang , Peng Chen , Mingtao Chen , Zhichao Hu , Longhuang Wu , Shuai Shao , Qinglin Lu , Ping Luo

A key problem in computational material science deals with understanding the effect of material distribution (i.e., microstructure) on material performance. The challenge is to synthesize microstructures, given a finite number of…

Despite their success with unstructured data, deep neural networks are not yet a panacea for structured tabular data. In the tabular domain, their efficiency crucially relies on various forms of regularization to prevent overfitting and…

Machine Learning · Computer Science 2023-03-10 Alan Jeffares , Tennison Liu , Jonathan Crabbé , Fergus Imrie , Mihaela van der Schaar

Video generation models produce visually coherent content but struggle with tasks requiring spatial reasoning and multi-step planning. Reinforcement learning (RL) offers a path to improve generalization, but its effectiveness in video…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Ming Liu , Yunbei Zhang , Shilong Liu , Liwen Wang , Wensheng Zhang

We have introduced a Pareto sorting algorithm into Synopsis, a de novo design program that generates synthesizable molecules with desirable properties. We give a detailed description of the algorithm and illustrate its working in 2…

Biomolecules · Quantitative Biology 2017-11-28 Frits Daeyaert , Michael W. Deem

Accurately simulating physics is crucial across scientific domains, with applications spanning from robotics to materials science. While traditional mesh-based simulations are precise, they are often computationally expensive and require…

Machine Learning · Computer Science 2025-10-23 Philipp Dahlinger , Tai Hoang , Denis Blessing , Niklas Freymuth , Gerhard Neumann

The effective training of Large Language Models (LLMs) for function calling faces a critical challenge: balancing exploration of complex reasoning paths with stable policy optimization. Standard methods like Supervised Fine-Tuning (SFT)…

Unified models capable of interleaved generation have emerged as a promising paradigm, with the community increasingly converging on autoregressive modeling for text and flow matching for image generation. To advance this direction, we…

Computer Vision and Pattern Recognition · Computer Science 2026-03-25 Jie Liu , Zilyu Ye , Linxiao Yuan , Shenhan Zhu , Yu Gao , Jie Wu , Kunchang Li , Xionghui Wang , Xiaonan Nie , Weilin Huang , Wanli Ouyang

We present Distributional RewArds for Generative OptimizatioN (DRAGON), a versatile framework for fine-tuning media generation models towards a desired outcome. Compared with traditional reinforcement learning with human feedback (RLHF) or…

Sound · Computer Science 2025-11-18 Yatong Bai , Jonah Casebeer , Somayeh Sojoudi , Nicholas J. Bryan

Text-to-audio (T2A) generation has advanced considerably in recent years, yet existing methods continue to face challenges in accurately rendering complex text prompts, particularly those involving intricate audio effects, and achieving…

Audio and Speech Processing · Electrical Eng. & Systems 2026-03-03 Yi Gu , Yanqing Liu , Chen Yang , Sheng Zhao

In continuing tasks, average-reward reinforcement learning may be a more appropriate problem formulation than the more common discounted reward formulation. As usual, learning an optimal policy in this setting typically requires a large…

Artificial Intelligence · Computer Science 2023-01-18 Yuqian Jiang , Sudarshanan Bharadwaj , Bo Wu , Rishi Shah , Ufuk Topcu , Peter Stone

Discovering new drug molecules is a pivotal yet challenging process due to the near-infinitely large chemical space and notorious demands on time and resources. Numerous generative models have recently been introduced to accelerate the drug…

Computational Engineering, Finance, and Science · Computer Science 2025-12-23 Shitong Luo , Wenhao Gao , Zuofan Wu , Jian Peng , Connor W. Coley , Jianzhu Ma

Text-to-Image (T2I) models have made significant advancements in recent years, but they still struggle to accurately capture intricate details specified in complex compositional prompts. While fine-tuning T2I models with reward objectives…

Computer Vision and Pattern Recognition · Computer Science 2024-11-01 Luca Eyring , Shyamgopal Karthik , Karsten Roth , Alexey Dosovitskiy , Zeynep Akata