English
Related papers

Related papers: Safe Multitask Molecular Graph Networks for Vapor …

200 papers

The advances of sensor technology enable people to monitor air quality through widely distributed low-cost sensors. However, measurements from these sensors usually encounter high biases and require a calibration step to reach an acceptable…

Machine Learning · Computer Science 2021-05-11 Haomin Yu , Yangli-ao Geng , Yingjun Zhang , Qingyong Li , Jiayu Zhou

In the technical report, we provide our solution for OGB-LSC 2022 Graph Regression Task. The target of this task is to predict the quantum chemical property, HOMO-LUMO gap for a given molecule on PCQM4Mv2 dataset. In the competition, we…

Machine Learning · Computer Science 2023-08-17 Yusong Wang , Shaoning Li , Zun Wang , Xinheng He , Bin Shao , Tie-Yan Liu , Tong Wang

In our latest studies, by introducing the novel order-preserving (OP) criterion, we have successfully addressed the widely concerned issue of the previously published mapped weighted essentially non-oscillatory (WENO) schemes that it is…

Numerical Analysis · Mathematics 2022-08-03 Ruo Li , Wei Zhong

Forecasting over graph-structured sensor networks demands models that capture both deterministic spatial trends and stochastic variability, while remaining efficient enough for repeated inference as new observations arrive. We propose…

Machine Learning · Computer Science 2026-04-02 Hanlin Dong , Arian Prabowo , Hao Xue , Ao Shuang , Tianyi Zhou , Flora D. Salim

Various approaches have been proposed for out-of-distribution (OOD) detection by augmenting models, input examples, training sets, and optimization objectives. Deviating from existing work, we have a simple hypothesis that standard…

Machine Learning · Computer Science 2022-03-29 Xin Dong , Junfeng Guo , Ang Li , Wei-Te Ting , Cong Liu , H. T. Kung

In this paper, we address the important problem in self-driving of forecasting multi-pedestrian motion and their shared scene occupancy map, critical for safe navigation. Our contributions are two-fold. First, we advocate for predicting…

Computer Vision and Pattern Recognition · Computer Science 2021-01-08 Katie Luo , Sergio Casas , Renjie Liao , Xinchen Yan , Yuwen Xiong , Wenyuan Zeng , Raquel Urtasun

Our goal is to perform out-of-distribution (OOD) detection, i.e., to detect when a robot is operating in environments drawn from a different distribution than the ones used to train the robot. We leverage Probably Approximately Correct…

Robotics · Computer Science 2023-11-08 Alec Farid , Sushant Veer , Divyanshu Pachisia , Anirudha Majumdar

Multi-task learning for molecular property prediction is becoming increasingly important in drug discovery. However, in contrast to other domains, the performance of multi-task learning in drug discovery is still not satisfying as the…

Biomolecules · Quantitative Biology 2022-10-07 Shengchao Liu , Meng Qu , Zuobai Zhang , Huiyu Cai , Jian Tang

Classification of cognitive workload promises immense benefit in diverse areas ranging from driver safety to augmenting human capability through closed loop brain computer interface. The brain is the most metabolically active organ in the…

Signal Processing · Electrical Eng. & Systems 2022-10-07 Harry J. Davies , Ian Williams , Ghena Hammour , Metin Yarici , Barry M. Seemungal , Danilo P. Mandic

Graph Out-of-Distribution (OOD), requiring that models trained on biased data generalize to the unseen test data, has considerable real-world applications. One of the most mainstream methods is to extract the invariant subgraph by aligning…

Machine Learning · Computer Science 2024-07-23 Xuexin Chen , Ruichu Cai , Kaitao Zheng , Zhifan Jiang , Zhengting Huang , Zhifeng Hao , Zijian Li

In this paper we construct a learning architecture for high dimensional time series sampled by sensor arrangements. Using a redundant wavelet decomposition on a graph constructed over the sensor locations, our algorithm is able to construct…

Artificial Intelligence · Computer Science 2016-02-16 Leonid Gugel , Yoel Shkolnisky , Shai Dekel

Multi-task learning (MTL) is an inductive transfer mechanism designed to leverage useful information from multiple tasks to improve generalization performance compared to single-task learning. It has been extensively explored in traditional…

Machine Learning · Computer Science 2025-01-13 Varun Kumar , Somdatta Goswami , Katiana Kontolati , Michael D. Shields , George Em Karniadakis

This paper proposes a spatiotemporal graph neural network-based performance prediction algorithm to address the challenge of forecasting performance fluctuations in distributed backend systems with multi-level service call structures. The…

Machine Learning · Computer Science 2025-08-12 Zhihao Xue , Yun Zi , Nia Qi , Ming Gong , Yujun Zou

Predicting full-field physics through the real-time virtual sensing of engineering systems can enhance limited physical sensors but often requires sparse-to-dense reconstruction, complex multiphysics, and highly irregular geometries as well…

Machine Learning · Computer Science 2026-04-21 William Howes , Farid Ahmed , Kazuma Kobayashi , Souvik Chakraborty , Syed Bahauddin Alam

In multi-task learning (MTL) with each task involving graph-dependent data, existing generalization analyses yield a \emph{sub-optimal} risk bound of $O(\frac{1}{\sqrt{n}})$, where $n$ is the number of training samples of each task.…

Machine Learning · Computer Science 2025-05-22 Xiao Shao , Guoqiang Wu

Visual Prompting (VP) is an emerging and powerful technique that allows sample-efficient adaptation to downstream tasks by engineering a well-trained frozen source model. In this work, we explore the benefits of VP in constructing…

Computer Vision and Pattern Recognition · Computer Science 2023-08-31 Yizhe Li , Yu-Lin Tsai , Xuebin Ren , Chia-Mu Yu , Pin-Yu Chen

Real-time autonomous systems utilize multi-layer computational frameworks to perform critical tasks such as perception, goal finding, and path planning. Traditional methods implement perception using occupancy grid mapping (OGM), segmenting…

Robotics · Computer Science 2025-02-14 Shay Snyder , Ryan Shea , Andrew Capodieci , David Gorsich , Maryam Parsa

Many neural network-based out-of-distribution (OoD) detection methods have been proposed. However, they require many training data for each target task. We propose a simple yet effective meta-learning method to detect OoD with small…

Machine Learning · Statistics 2022-06-22 Tomoharu Iwata , Atsutoshi Kumagai

Accurate, global Potential Energy Surfaces (PES) expressed in sum-of-products (SOP) form are a prerequisite for efficient high-dimensional quantum dynamics simulations using the MCTDH method. This work introduces a methodology for…

Chemical Physics · Physics 2026-03-31 Antoine Aerts

The adversarial worst-case load shedding (AWLS) problem is pivotal for identifying critical contingencies under line outages. It is naturally cast as a bilevel program: the upper level simulates an attacker determining worst-case line…

Systems and Control · Electrical Eng. & Systems 2025-12-09 Young-ho Cho , Harsha Nagarajan , Deepjyoti Deka , Hao Zhu
‹ Prev 1 8 9 10 Next ›