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Diffusion models have achieved promising results for Structure-Based Drug Design (SBDD). Nevertheless, high-quality protein subpocket and ligand data are relatively scarce, which hinders the models' generation capabilities. Recently, Direct…

Biomolecules · Quantitative Biology 2026-02-11 Xiwei Cheng , Xiangxin Zhou , Yuwei Yang , Yu Bao , Quanquan Gu

Deep neural networks (DNNs) have been shown to be vulnerable to adversarial examples, which can produce erroneous predictions by injecting imperceptible perturbations. In this work, we study the transferability of adversarial examples,…

Computer Vision and Pattern Recognition · Computer Science 2022-10-13 Zeyu Qin , Yanbo Fan , Yi Liu , Li Shen , Yong Zhang , Jue Wang , Baoyuan Wu

As deep neural networks (DNNs) are widely applied in the physical world, many researches are focusing on physical-world adversarial examples (PAEs), which introduce perturbations to inputs and cause the model's incorrect outputs. However,…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Yichen Wang , Yuxuan Chou , Ziqi Zhou , Hangtao Zhang , Wei Wan , Shengshan Hu , Minghui Li

Direct Preference Optimization (DPO) has shown effectiveness in aligning multi-modal large language models (MLLM) with human preferences. However, existing methods exhibit an imbalanced responsiveness to the data of varying hardness,…

Computer Vision and Pattern Recognition · Computer Science 2025-02-12 Jinda Lu , Junkang Wu , Jinghan Li , Xiaojun Jia , Shuo Wang , YiFan Zhang , Junfeng Fang , Xiang Wang , Xiangnan He

Over-parameterization of deep neural networks (DNNs) has shown high prediction accuracy for many applications. Although effective, the large number of parameters hinders its popularity on resource-limited devices and has an outsize…

Machine Learning · Computer Science 2023-04-25 Shaoyi Huang , Bowen Lei , Dongkuan Xu , Hongwu Peng , Yue Sun , Mimi Xie , Caiwen Ding

Direct Preference Optimization (DPO) has proven effective at improving the performance of large language models (LLMs) on downstream tasks such as reasoning and alignment. In this work, we propose Step-Controlled DPO (SCDPO), a method for…

Computation and Language · Computer Science 2024-07-16 Zimu Lu , Aojun Zhou , Ke Wang , Houxing Ren , Weikang Shi , Junting Pan , Mingjie Zhan , Hongsheng Li

Existing training-time safety alignment techniques for large language models (LLMs) remain vulnerable to jailbreak attacks. Direct preference optimization (DPO), a widely deployed alignment method, exhibits limitations in both experimental…

Computation and Language · Computer Science 2025-10-31 Xuandong Zhao , Will Cai , Tianneng Shi , David Huang , Licong Lin , Song Mei , Dawn Song

Recent alignment methods based on Direct Preference Optimization (DPO) reformulate preference learning as supervised optimization over pairwise comparisons, offering improved efficiency and stability over reinforcement learning from human…

Machine Learning · Computer Science 2026-01-22 Yuhui Sun , Xiyao Wang , Zixi Li , YiTian Ding , Tianyang Ling , Jialuo Chen , Tianyi Yu , Zhenlong Yuan , Jinman Zhao

Deep learning techniques play an increasingly important role in industrial and research environments due to their outstanding results. However, the large number of hyper-parameters to be set may lead to errors if they are set manually. The…

Machine Learning · Computer Science 2020-06-04 Michele Fraccaroli , Evelina Lamma , Fabrizio Riguzzi

Aligning Large Language Models (LLMs) with human preferences is crucial for safe and effective AI interactions. While popular methods like Direct Preference Optimization (DPO) have simplified alignment, they remain sensitive to data noise…

Artificial Intelligence · Computer Science 2026-03-03 Ning Yang , Hai Lin , Yibo Liu , Baoliang Tian , Guoqing Liu , Haijun Zhang

Despite the great achievements of deep neural networks (DNNs), the vulnerability of state-of-the-art DNNs raises security concerns of DNNs in many application domains requiring high reliability.We propose the fault sneaking attack on DNNs,…

Machine Learning · Computer Science 2025-07-08 Pu Zhao , Siyue Wang , Cheng Gongye , Yanzhi Wang , Yunsi Fei , Xue Lin

Recent advances in deep learning have enabled optimization of deep reactive policies (DRPs) for continuous MDP planning by encoding a parametric policy as a deep neural network and exploiting automatic differentiation in an end-to-end…

Artificial Intelligence · Computer Science 2022-03-25 Siow Meng Low , Akshat Kumar , Scott Sanner

Direct preference optimization (DPO) has emerged as a promising approach for aligning large language models (LLMs) with human preferences. However, the widespread reliance on the response-level Bradley-Terry (BT) model may limit its full…

Artificial Intelligence · Computer Science 2026-02-11 Masanari Oi , Mahiro Ukai , Masahiro Kaneko , Naoaki Okazaki , Nakamasa Inoue

As model sizes grow, finding efficient and cost-effective hyperparameter optimization (HPO) methods becomes increasingly crucial for deep learning pipelines. While multi-fidelity HPO (MF-HPO) trades off computational resources required for…

Machine Learning · Computer Science 2025-04-18 Timur Carstensen , Neeratyoy Mallik , Frank Hutter , Martin Rapp

Distributionally Favorable Optimization (DFO) is an important framework for decision-making under uncertainty, with applications across fields such as reinforcement learning, online learning, robust statistics, chance-constrained…

Optimization and Control · Mathematics 2024-02-01 Nan Jiang , Weijun Xie

We propose a deep learning algorithm for high dimensional optimal stopping problems. Our method is inspired by the penalty method for solving free boundary PDEs. Within our approach, the penalized PDE is approximated using the Deep BSDE…

Mathematical Finance · Quantitative Finance 2026-04-07 Yunfei Peng , Pengyu Wei , Wei Wei

Dynamic Threshold Optimization (DTO) adaptively "compresses" the decision space (DS) in a global search and optimization problem by bounding the objective function from below. This approach is different from "shrinking" DS by reducing…

Other Computer Science · Computer Science 2012-06-07 Richard A. Formato

Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing…

Machine Learning · Computer Science 2019-05-14 Aaron Klein , Frank Hutter

Hyperparameter optimization (HPO) is known to be costly in deep learning, especially when leveraging automated approaches. Most of the existing automated HPO methods are accuracy-based, i.e., accuracy metrics are used to guide the trials of…

Machine Learning · Computer Science 2026-03-02 Zhongyi Pei , Zhiyao Cen , Yipeng Huang , Chen Wang , Lin Liu , Philip Yu , Mingsheng Long

Direct Preference Optimization (DPO) guides large language models (LLMs) to generate recommendations aligned with user historical behavior distributions by minimizing preference alignment loss. However, our systematic empirical research and…

Information Retrieval · Computer Science 2026-05-28 Chu Zhao , Enneng Yang , Jianzhe Zhao , Guibing Guo