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Lead optimization in drug discovery requires efficiently navigating vast chemical space through iterative cycles to enhance molecular properties while preserving structural similarity to the original lead compound. Despite recent advances,…

Machine Learning · Computer Science 2025-09-29 Ziqing Wang , Yibo Wen , William Pattie , Xiao Luo , Weimin Wu , Jerry Yao-Chieh Hu , Abhishek Pandey , Han Liu , Kaize Ding

Proximal policy optimization (PPO) is one of the most successful deep reinforcement-learning methods, achieving state-of-the-art performance across a wide range of challenging tasks. However, its optimization behavior is still far from…

Machine Learning · Computer Science 2020-01-15 Yuhui Wang , Hao He , Chao Wen , Xiaoyang Tan

Weight pruning of deep neural networks (DNNs) has been proposed to satisfy the limited storage and computing capability of mobile edge devices. However, previous pruning methods mainly focus on reducing the model size and/or improving…

Machine Learning · Computer Science 2022-03-29 Yifan Gong , Zheng Zhan , Zhengang Li , Wei Niu , Xiaolong Ma , Wenhao Wang , Bin Ren , Caiwen Ding , Xue Lin , Xiaolin Xu , Yanzhi Wang

Large Vision-Language Models (LVLMs) incur substantial inference costs due to the processing of a vast number of visual tokens. Existing methods typically struggle to model progressive visual token reduction as a multi-step decision process…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Sihan Cao , Jianwei Zhang , Pengcheng Zheng , Jiaxin Yan , Caiyan Qin , Yalan Ye , Wei Dong , Peng Wang , Yang Yang , Chaoning Zhang

Decentralized learning (DL) offers a novel paradigm in machine learning by distributing training across clients without central aggregation, enhancing scalability and efficiency. However, DL's peer-to-peer model raises challenges in…

Cryptography and Security · Computer Science 2024-04-30 Ali Reza Ghavamipour , Benjamin Zi Hao Zhao , Fatih Turkmen

Privacy is a growing concern in modern deep-learning systems and applications. Differentially private (DP) training prevents the leakage of sensitive information in the collected training data from the trained machine learning models. DP…

Machine Learning · Computer Science 2024-08-28 Xinwei Zhang , Zhiqi Bu , Mingyi Hong , Meisam Razaviyayn

Deep learning algorithms have been successfully applied to numerically solve linear Kolmogorov partial differential equations~(PDEs). A recent research shows that if the initial functions are bounded, the empirical risk minimization (ERM)…

Numerical Analysis · Mathematics 2024-06-25 Jichang Xiao , Xiaoqun Wang

Aligning large language models (LLMs) with human preferences is a critical challenge in AI research. While methods like Reinforcement Learning from Human Feedback (RLHF) and Direct Preference Optimization (DPO) are widely used, they often…

Computation and Language · Computer Science 2026-05-19 Xuan Qi , Rongwu Xu , Zhijing Jin

Based on the notion of supercodes, we propose a two-phase maximum-likelihood soft-decision decoding (tpMLSD) algorithm for binary linear block codes in this work. The first phase applies the Viterbi algorithm backwardly to a trellis derived…

Information Theory · Computer Science 2014-08-07 Yunghsiang S. Han , Hung-Ta Pai , Po-Ning Chen , Ting-Yi Wu

In the rapidly advancing field of Large Language Models (LLMs), effectively leveraging existing datasets during fine-tuning to maximize the model's potential is of paramount importance. This paper introduces P3, an adaptive framework aimed…

Computation and Language · Computer Science 2024-10-21 Yingxuan Yang , Huayi Wang , Muning Wen , Xiaoyun Mo , Qiuying Peng , Jun Wang , Weinan Zhang

As deep learning models are increasingly deployed on mobile devices, modern mobile devices incorporate deep learning-specific accelerators to handle the growing computational demands, thus increasing their hardware heterogeneity. However,…

Machine Learning · Computer Science 2025-08-26 Duseok Kang , Yunseong Lee , Junghoon Kim

Transferable backdoors pose a severe threat to the Pre-trained Language Models (PLMs) supply chain, yet defensive research remains nascent, primarily relying on detecting anomalies in the output feature space. We identify a critical flaw…

Cryptography and Security · Computer Science 2025-12-09 Tianhang Zhao , Wei Du , Haodong Zhao , Sufeng Duan , Gongshen Liu

Learning control policies to perform complex robotics tasks from human preference data presents significant challenges. On the one hand, the complexity of such tasks typically requires learning policies to perform a variety of subtasks,…

Machine Learning · Computer Science 2025-01-03 Utsav Singh , Souradip Chakraborty , Wesley A. Suttle , Brian M. Sadler , Vinay P Namboodiri , Amrit Singh Bedi

Multi-objective reinforcement learning (MORL) approaches have emerged to tackle many real-world problems with multiple conflicting objectives by maximizing a joint objective function weighted by a preference vector. These approaches find…

Machine Learning · Computer Science 2023-05-31 Toygun Basaklar , Suat Gumussoy , Umit Y. Ogras

The study of online algorithms with machine-learned predictions has gained considerable prominence in recent years. One of the common objectives in the design and analysis of such algorithms is to attain (Pareto) optimal tradeoffs between…

Machine Learning · Computer Science 2024-08-09 Spyros Angelopoulos , Christoph Dürr , Alex Elenter , Yanni Lefki

Large language models (LLMs) deliver impressive results but face challenges from increasing model sizes and computational costs. Structured pruning reduces model size and speeds up inference but often causes uneven degradation across…

Computation and Language · Computer Science 2025-05-28 Hexuan Deng , Wenxiang Jiao , Xuebo Liu , Jing Li , Min Zhang , Zhaopeng Tu

Prompt optimization is a practical and widely applicable alternative to fine tuning for improving large language model performance. Yet many existing methods evaluate candidate prompts by sampling full outputs, often coupled with self…

Computation and Language · Computer Science 2025-09-19 Chenzhuo Zhao , Ziqian Liu , Xinda Wang , Junting Lu , Chaoyi Ruan

We introduce a novel framework for differentially private (DP) statistical estimation via data truncation, addressing a key challenge in DP estimation when the data support is unbounded. Traditional approaches rely on problem-specific…

Machine Learning · Computer Science 2025-11-11 Manolis Zampetakis , Felix Zhou

In this work, we address the problem of determining reliable policies in reinforcement learning (RL), with a focus on optimization under uncertainty and the need for performance guarantees. While classical RL algorithms aim at maximizing…

Machine Learning · Computer Science 2025-10-22 Nadir Farhi

Preserving the privacy of preferences (or rewards) of a sequential decision-making agent when decisions are observable is crucial in many physical and cybersecurity domains. For instance, in wildlife monitoring, agents must allocate…

Artificial Intelligence · Computer Science 2024-07-16 Shashank Reddy Chirra , Pradeep Varakantham , Praveen Paruchuri