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The extraction of molecular structures and reaction data from scientific documents is challenging due to their varied, unstructured chemical formats and complex document layouts. To address this, we introduce MolMole, a vision-based deep…

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

Retrieval-augmented generation (RAG) improves language model (LM) performance by providing relevant context at test time for knowledge-intensive situations. However, the relationship between parametric knowledge acquired during pretraining…

Computation and Language · Computer Science 2026-04-02 Karan Singh , Michael Yu , Varun Gangal , Zhuofu Tao , Sachin Kumar , Emmy Liu , Steven Y. Feng

One of the major challenges in training deep architectures for predictive tasks is the scarcity and cost of labeled training data. Active Learning (AL) is one way of addressing this challenge. In stream-based AL, observations are…

Machine Learning · Computer Science 2019-09-05 Andreas Kvistad , Massimiliano Ruocco , Eliezer de Souza da Silva , Erlend Aune

The rapid progress of large language models (LLMs) has laid the foundation for multimodal models. However, visual language models (VLMs) still face heavy computational costs when extended from images to videos due to high frame rates and…

Computer Vision and Pattern Recognition · Computer Science 2026-02-10 Peiran Wu , Zhuorui Yu , Yunze Liu , Chi-Hao Wu , Enmin Zhou , Junxiao Shen

Online Reinforcement Learning (RL) offers a promising paradigm for enhancing GUI agents through direct environment interaction. However, its effectiveness is severely hindered by inefficient credit assignment in long-horizon tasks and…

Computer Vision and Pattern Recognition · Computer Science 2026-02-06 Han Xiao , Guozhi Wang , Hao Wang , Shilong Liu , Yuxiang Chai , Yue Pan , Yufeng Zhou , Xiaoxin Chen , Yafei Wen , Hongsheng Li

A major challenge in the pharmaceutical industry is to design novel molecules with specific desired properties, especially when the property evaluation is costly. Here, we propose MNCE-RL, a graph convolutional policy network for molecular…

Machine Learning · Computer Science 2020-11-17 Chencheng Xu , Qiao Liu , Minlie Huang , Tao Jiang

Post-training with Reinforcement Learning (RL) has substantially improved reasoning in Large Language Models (LLMs) via test-time scaling. However, extending this paradigm to Multimodal LLMs (MLLMs) through verbose rationales yields limited…

Computation and Language · Computer Science 2026-02-16 Bangzheng Li , Jianmo Ni , Chen Qu , Ian Miao , Liu Yang , Xingyu Fu , Muhao Chen , Derek Zhiyuan Cheng

Large language models (LLMs) have achieved impressive results in natural language processing but are prone to memorizing portions of their training data, which can compromise evaluation metrics, raise privacy concerns, and limit…

Machine Learning · Computer Science 2024-12-03 Eduardo Slonski

Quadrupedal locomotion is a complex, open-ended problem vital to expanding autonomous vehicle reach. Traditional reinforcement learning approaches often fall short due to training instability and sample inefficiency. We propose a novel…

Robotics · Computer Science 2024-11-14 Martin Robert , Simon Brodeur , Francois Ferland

The impressive generalization performance of modern neural networks is attributed in part to their ability to implicitly memorize complex training patterns. Inspired by this, we explore a novel mechanism to improve model generalization via…

Large Language Models (LLMs) are smart but forgetful. Recent studies, (e.g., (Bubeck et al., 2023)) on modern LLMs have shown that they are capable of performing amazing tasks typically necessitating human-level intelligence. However,…

Computation and Language · Computer Science 2023-11-08 Eric Melz

Model-based deep learning (MoDL) algorithms that rely on unrolling are emerging as powerful tools for image recovery. In this work, we introduce a novel monotone operator learning framework to overcome some of the challenges associated with…

Machine Learning · Computer Science 2021-11-23 Aniket Pramanik , Mathews Jacob

Lifelong interactive agents are expected to assist users over months or years, which requires continually writing long term memories while retrieving the right evidence for each new query under fixed context and latency budgets. Existing…

Information Retrieval · Computer Science 2026-03-23 Can Lv , Heng Chang , Yuchen Guo , Shengyu Tao , Shiji Zhou

Reducing latency and energy consumption is critical to improving the efficiency of memory systems in modern computing. This work introduces ReLMXEL (Reinforcement Learning for Memory Controller with Explainable Energy and Latency…

Hardware Architecture · Computer Science 2026-03-19 Panuganti Chirag Sai , Gandholi Sarat , R. Raghunatha Sarma , Venkata Kalyan Tavva , Naveen M

Recent advances in fine-tuning large language models (LLMs) with reinforcement learning (RL) have shown promising improvements in complex reasoning tasks, particularly when paired with chain-of-thought (CoT) prompting. However, these…

Machine Learning · Computer Science 2025-04-04 Hung Le , Dai Do , Dung Nguyen , Svetha Venkatesh

This paper presents a pioneering exploration of reinforcement learning (RL) via group relative policy optimization for unified multimodal large language models (ULMs), aimed at simultaneously reinforcing generation and understanding…

Computer Vision and Pattern Recognition · Computer Science 2025-11-21 Jingjing Jiang , Chongjie Si , Jun Luo , Hanwang Zhang , Chao Ma

Molecular optimization is a key challenge in drug discovery and material science domain, involving the design of molecules with desired properties. Existing methods focus predominantly on single-property optimization, necessitating…

Machine Learning · Computer Science 2024-09-13 Aye Phyu Phyu Aung , Jay Chaudhary , Ji Wei Yoon , Senthilnath Jayavelu

Previous studies on continual knowledge learning (CKL) in large language models (LLMs) have predominantly focused on approaches such as regularization, architectural modifications, and rehearsal techniques to mitigate catastrophic…

Computation and Language · Computer Science 2025-02-06 Yeongbin Seo , Dongha Lee , Jinyoung Yeo

The performance of the reward model (RM) is a critical factor in improving the effectiveness of the large language model (LLM) during alignment fine-tuning. There remain two challenges in RM training: 1) training the same RM using various…

Computation and Language · Computer Science 2024-04-30 Shanghaoran Quan