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In offline model-based optimization, we strive to maximize a black-box objective function by only leveraging a static dataset of designs and their scores. This problem setting arises in numerous fields including the design of materials,…

Computational Engineering, Finance, and Science · Computer Science 2023-03-07 Can Chen , Yingxue Zhang , Jie Fu , Xue Liu , Mark Coates

Recent deep models for solving routing problems always assume a single distribution of nodes for training, which severely impairs their cross-distribution generalization ability. In this paper, we exploit group distributionally robust…

Machine Learning · Computer Science 2022-02-16 Yuan Jiang , Yaoxin Wu , Zhiguang Cao , Jie Zhang

Learning to optimize (L2O) has gained increasing attention since classical optimizers require laborious problem-specific design and hyperparameter tuning. However, there is a gap between the practical demand and the achievable performance…

Machine Learning · Computer Science 2020-10-20 Tianlong Chen , Weiyi Zhang , Jingyang Zhou , Shiyu Chang , Sijia Liu , Lisa Amini , Zhangyang Wang

The performance of machine learning models under distribution shift has been the focus of the community in recent years. Most of current methods have been proposed to improve the robustness to distribution shift from the algorithmic…

Computer Vision and Pattern Recognition · Computer Science 2022-05-26 Ziquan Liu , Yi Xu , Yuanhong Xu , Qi Qian , Hao Li , Rong Jin , Xiangyang Ji , Antoni B. Chan

In this work, we propose a novel framework to enable diffusion models to adapt their generation quality based on real-time network bandwidth constraints. Traditional diffusion models produce high-fidelity images by performing a fixed number…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Xi Zhang , Hanwei Zhu , Yan Zhong , Jiamang Wang , Weisi Lin

Positive-Unlabeled (PU) learning tries to learn binary classifiers from a few labeled positive examples with many unlabeled ones. Compared with ordinary semi-supervised learning, this task is much more challenging due to the absence of any…

Machine Learning · Computer Science 2022-12-07 Yunrui Zhao , Qianqian Xu , Yangbangyan Jiang , Peisong Wen , Qingming Huang

Machine learning systems based on minimizing average error have been shown to perform inconsistently across notable subsets of the data, which is not exposed by a low average error for the entire dataset. In consequential social and…

Machine Learning · Computer Science 2021-06-18 Agnieszka Słowik , Léon Bottou

Diagnosing and mitigating changes in model fairness under distribution shift is an important component of the safe deployment of machine learning in healthcare settings. Importantly, the success of any mitigation strategy strongly depends…

Distribution shift occurs when the test distribution differs from the training distribution, and it can considerably degrade performance of machine learning models deployed in the real world. Temporal shifts -- distribution shifts arising…

Machine Learning · Computer Science 2023-01-18 Huaxiu Yao , Caroline Choi , Bochuan Cao , Yoonho Lee , Pang Wei Koh , Chelsea Finn

Machine Learning classifiers used in Brain-Computer Interfaces make classifications based on the distribution of data they were trained on. When they need to make inferences on samples that fall outside of this distribution, they can only…

Machine Learning · Computer Science 2026-03-17 Merlijn Quincent Mulder , Matias Valdenegro-Toro , Andreea Ioana Sburlea , Ivo Pascal de Jong

By planning through a learned dynamics model, model-based reinforcement learning (MBRL) offers the prospect of good performance with little environment interaction. However, it is common in practice for the learned model to be inaccurate,…

Machine Learning · Computer Science 2021-03-31 Behzad Haghgoo , Allan Zhou , Archit Sharma , Chelsea Finn

We revisit the fundamental problem of learning with distribution shift, in which a learner is given labeled samples from training distribution $D$, unlabeled samples from test distribution $D'$ and is asked to output a classifier with low…

Data Structures and Algorithms · Computer Science 2024-05-22 Adam R. Klivans , Konstantinos Stavropoulos , Arsen Vasilyan

Shifts in data distribution can substantially harm the performance of clinical AI models and lead to misdiagnosis. Hence, various methods have been developed to detect the presence of such shifts at deployment time. However, the root causes…

Artificial Intelligence · Computer Science 2025-06-23 Mélanie Roschewitz , Raghav Mehta , Charles Jones , Ben Glocker

Guidance in conditional diffusion generation is of great importance for sample quality and controllability. However, existing guidance schemes are to be desired. On one hand, mainstream methods such as classifier guidance and…

Machine Learning · Computer Science 2023-10-18 Jiajun Ma , Tianyang Hu , Wenjia Wang , Jiacheng Sun

Detecting out-of-distribution (OOD) data is critical for machine learning, be it for safety reasons or to enable open-ended learning. However, beyond mere detection, choosing an appropriate course of action typically hinges on the type of…

Machine Learning · Computer Science 2026-04-28 Achref Jaziri , Martin Rogmann , Martin Mundt , Visvanathan Ramesh

Data-driven design shows the promise of accelerating materials discovery but is challenging due to the prohibitive cost of searching the vast design space of chemistry, structure, and synthesis methods. Bayesian Optimization (BO) employs…

Machine Learning · Statistics 2023-04-12 Hengrui Zhang , Wei Wayne Chen , Akshay Iyer , Daniel W. Apley , Wei Chen

Model-based testing (MBT) provides an automated approach for finding discrepancies between software models and their implementation. If we want to incorporate MBT into the fast and iterative software development process that is Continuous…

Software Engineering · Computer Science 2023-05-02 P. H. M. van Spaendonck

Offline multi-objective optimization (MOO) aims to recover Pareto-optimal designs given a finite, static dataset. Recent generative approaches, including diffusion models, show strong performance under hypervolume, yet their behavior under…

Machine Learning · Computer Science 2026-05-13 Stephanie Holly , Alexandru-Ciprian Zăvoianu , Siegfried Silber , Sepp Hochreiter , Werner Zellinger

Offline model-based optimization aims to find a design that maximizes a property of interest using only an offline dataset, with applications in robot, protein, and molecule design, among others. A prevalent approach is gradient ascent,…

Computational Engineering, Finance, and Science · Computer Science 2023-10-11 Ye Yuan , Can Chen , Zixuan Liu , Willie Neiswanger , Xue Liu

Deep learning-based grasp prediction models have become an industry standard for robotic bin-picking systems. To maximize pick success, production environments are often equipped with several end-effector tools that can be swapped…

Robotics · Computer Science 2023-02-17 Khashayar Rohanimanesh , Jake Metzger , William Richards , Aviv Tamar