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RelativeUncertaintyLearningforFacialExpression RecognitionSupplementaryMaterial AVisualizationresultsonMNISTandCIFAR

Neural Information Processing Systems

Weprovide visualization results onMNIST and CIFAR toshowour uncertainty learning method also works well on datasets besides facial expression recognition (FER) tasks. Weutilize red rectangles to mark images that are misclassified and green rectangles to mark images that are rightly classified. They are usually very hard to be rightlyclassified. We also carry out experiments on MNIST and CIFAR with synthetic noises. If the maximum prediction probability is higher than the one of given label with a threshold (set to 0.2), we believe that sample contains label noise and then change the label to the index of the maximum prediction probability.





Impute With Confidence: A Framework for Uncertainty Aware Multivariate Time Series Imputation

Weatherhead, Addison, Goldenberg, Anna

arXiv.org Machine Learning

Time series data with missing values is common across many domains. Healthcare presents special challenges due to prolonged periods of sensor disconnection. In such cases, having a confidence measure for imputed values is critical. Most existing methods either overlook model uncertainty or lack mechanisms to estimate it. To address this gap, we introduce a general framework that quantifies and leverages uncertainty for selective imputation. By focusing on values the model is most confident in, highly unreliable imputations are avoided. Our experiments on multiple EHR datasets, covering diverse types of missingness, demonstrate that selectively imputing less-uncertain values not only reduces imputation errors but also improves downstream tasks. Specifically, we show performance gains in a 24-hour mortality prediction task, underscoring the practical benefit of incorporating uncertainty into time series imputation.


Peering into the Unknown: Active View Selection with Neural Uncertainty Maps for 3D Reconstruction

Zhang, Zhengquan, Xu, Feng, Zhang, Mengmi

arXiv.org Artificial Intelligence

Some perspectives naturally provide more information than others. How can an AI system determine which viewpoint offers the most valuable insight for accurate and efficient 3D object reconstruction? Active view selection (AVS) for 3D reconstruction remains a fundamental challenge in computer vision. The aim is to identify the minimal set of views that yields the most accurate 3D reconstruction. Instead of learning radiance fields, like NeRF or 3D Gaussian Splatting, from a current observation and computing uncertainty for each candidate viewpoint, we introduce a novel AVS approach guided by neural uncertainty maps predicted by a lightweight feedforward deep neural network, named UPNet. UPNet takes a single input image of a 3D object and outputs a predicted uncertainty map, representing uncertainty values across all possible candidate viewpoints. By leveraging heuristics derived from observing many natural objects and their associated uncertainty patterns, we train UPNet to learn a direct mapping from viewpoint appearance to uncertainty in the underlying volumetric representations. Next, our approach aggregates all previously predicted neural uncertainty maps to suppress redundant candidate viewpoints and effectively select the most informative one. Using these selected viewpoints, we train 3D neural rendering models and evaluate the quality of novel view synthesis against other competitive AVS methods. Remarkably, despite using half of the viewpoints than the upper bound, our method achieves comparable reconstruction accuracy. In addition, it significantly reduces computational overhead during AVS, achieving up to a 400 times speedup along with over 50\% reductions in CPU, RAM, and GPU usage compared to baseline methods. Notably, our approach generalizes effectively to AVS tasks involving novel object categories, without requiring any additional training.


ChemAU: Harness the Reasoning of LLMs in Chemical Research with Adaptive Uncertainty Estimation

Liu, Xinyi, Ma, Lipeng, Li, Yixuan, Yang, Weidong, Zhou, Qingyuan, Song, Jiayi, Li, Shuhao, Fei, Ben

arXiv.org Artificial Intelligence

Large Language Models (LLMs) are widely used across various scenarios due to their exceptional reasoning capabilities and natural language understanding. While LLMs demonstrate strong performance in tasks involving mathematics and coding, their effectiveness diminishes significantly when applied to chemistry-related problems. Chemistry problems typically involve long and complex reasoning steps, which contain specific terminology, including specialized symbol systems and complex nomenclature conventions. These characteristics often cause general LLMs to experience hallucinations during the reasoning process due to their lack of specific knowledge. However, existing methods are struggling to effectively leverage chemical expertise and formulas. Moreover, current uncertainty estimation methods, designed to mitigate potential reasoning errors, are unable to precisely identify specific steps or key knowledge. In this work, we propose a novel framework called ChemAU, which incorporates our adaptive uncertainty estimation method that applies different uncertainty values based on the position of reasoning steps within the whole reasoning chain. Leveraging this method, ChemAU identifies gaps in chemistry knowledge and precisely supplements chemical expertise with the specialized domain model, thereby correcting and updating the previously flawed reasoning chain. Our experiments with three popular LLMs across three chemistry datasets demonstrate that ChemAU significantly enhances both reasoning accuracy and uncertainty estimation.


Domain Adaptive Skin Lesion Classification via Conformal Ensemble of Vision Transformers

Zoravar, Mehran, Alijani, Shadi, Najjaran, Homayoun

arXiv.org Artificial Intelligence

Exploring the trustworthiness of deep learning models is crucial, especially in critical domains such as medical imaging decision support systems. Conformal prediction has emerged as a rigorous means of providing deep learning models with reliable uncertainty estimates and safety guarantees. However, conformal prediction results face challenges due to the backbone model's struggles in domain-shifted scenarios, such as variations in different sources. To aim this challenge, this paper proposes a novel framework termed Conformal Ensemble of Vision Transformers (CE-ViTs) designed to enhance image classification performance by prioritizing domain adaptation and model robustness, while accounting for uncertainty. The proposed method leverages an ensemble of vision transformer models in the backbone, trained on diverse datasets including HAM10000, Dermofit, and Skin Cancer ISIC datasets. This ensemble learning approach, calibrated through the combined mentioned datasets, aims to enhance domain adaptation through conformal learning. Experimental results underscore that the framework achieves a high coverage rate of 90.38\%, representing an improvement of 9.95\% compared to the HAM10000 model. This indicates a strong likelihood that the prediction set includes the true label compared to singular models. Ensemble learning in CE-ViTs significantly improves conformal prediction performance, increasing the average prediction set size for challenging misclassified samples from 1.86 to 3.075.


Uncertainty Quantification of Wind Gust Predictions in the Northeast US: An Evidential Neural Network and Explainable Artificial Intelligence Approach

Jahan, Israt, Schreck, John S., Gagne, David John, Becker, Charlie, Astitha, Marina

arXiv.org Machine Learning

Machine learning has shown promise in reducing bias in numerical weather model predictions of wind gusts. Yet, they underperform to predict high gusts even with additional observations due to the right-skewed distribution of gusts. Uncertainty quantification (UQ) addresses this by identifying when predictions are reliable or needs cautious interpretation. Using data from 61 extratropical storms in the Northeastern USA, we introduce evidential neural network (ENN) as a novel approach for UQ in gust predictions, leveraging atmospheric variables from the Weather Research and Forecasting (WRF) model as features and gust observations as targets. Explainable artificial intelligence (XAI) techniques demonstrated that key predictive features also contributed to higher uncertainty. Estimated uncertainty correlated with storm intensity and spatial gust gradients. ENN allowed constructing gust prediction intervals without requiring an ensemble. From an operational perspective, providing gust forecasts with quantified uncertainty enhances stakeholders' confidence in risk assessment and response planning for extreme gust events.


Large Language Models Think Too Fast To Explore Effectively

Pan, Lan, Xie, Hanbo, Wilson, Robert C.

arXiv.org Artificial Intelligence

Large Language Models have emerged many intellectual capacities. While numerous benchmarks assess their intelligence, limited attention has been given to their ability to explore, an essential capacity for discovering new information and adapting to novel environments in both natural and artificial systems. The extent to which LLMs can effectively explore, particularly in open-ended tasks, remains unclear. This study investigates whether LLMs can surpass humans in exploration during an open-ended task, using Little Alchemy 2 as a paradigm, where agents combine elements to discover new ones. Results show most LLMs underperform compared to humans, except for the o1 model, with those traditional LLMs relying primarily on uncertainty driven strategies, unlike humans who balance uncertainty and empowerment. Representational analysis of the models with Sparse Autoencoders revealed that uncertainty and choices are represented at earlier transformer blocks, while empowerment values are processed later, causing LLMs to think too fast and make premature decisions, hindering effective exploration. These findings shed light on the limitations of LLM exploration and suggest directions for improving their adaptability.