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Aug 3

Towards Fewer Annotations: Active Learning via Region Impurity and Prediction Uncertainty for Domain Adaptive Semantic Segmentation

Self-training has greatly facilitated domain adaptive semantic segmentation, which iteratively generates pseudo labels on unlabeled target data and retrains the network. However, realistic segmentation datasets are highly imbalanced, pseudo labels are typically biased to the majority classes and basically noisy, leading to an error-prone and suboptimal model. In this paper, we propose a simple region-based active learning approach for semantic segmentation under a domain shift, aiming to automatically query a small partition of image regions to be labeled while maximizing segmentation performance. Our algorithm, Region Impurity and Prediction Uncertainty (RIPU), introduces a new acquisition strategy characterizing the spatial adjacency of image regions along with the prediction confidence. We show that the proposed region-based selection strategy makes more efficient use of a limited budget than image-based or point-based counterparts. Further, we enforce local prediction consistency between a pixel and its nearest neighbors on a source image. Alongside, we develop a negative learning loss to make the features more discriminative. Extensive experiments demonstrate that our method only requires very few annotations to almost reach the supervised performance and substantially outperforms state-of-the-art methods. The code is available at https://github.com/BIT-DA/RIPU.

  • 5 authors
·
Nov 25, 2021

UPL-SFDA: Uncertainty-aware Pseudo Label Guided Source-Free Domain Adaptation for Medical Image Segmentation

Domain Adaptation (DA) is important for deep learning-based medical image segmentation models to deal with testing images from a new target domain. As the source-domain data are usually unavailable when a trained model is deployed at a new center, Source-Free Domain Adaptation (SFDA) is appealing for data and annotation-efficient adaptation to the target domain. However, existing SFDA methods have a limited performance due to lack of sufficient supervision with source-domain images unavailable and target-domain images unlabeled. We propose a novel Uncertainty-aware Pseudo Label guided (UPL) SFDA method for medical image segmentation. Specifically, we propose Target Domain Growing (TDG) to enhance the diversity of predictions in the target domain by duplicating the pre-trained model's prediction head multiple times with perturbations. The different predictions in these duplicated heads are used to obtain pseudo labels for unlabeled target-domain images and their uncertainty to identify reliable pseudo labels. We also propose a Twice Forward pass Supervision (TFS) strategy that uses reliable pseudo labels obtained in one forward pass to supervise predictions in the next forward pass. The adaptation is further regularized by a mean prediction-based entropy minimization term that encourages confident and consistent results in different prediction heads. UPL-SFDA was validated with a multi-site heart MRI segmentation dataset, a cross-modality fetal brain segmentation dataset, and a 3D fetal tissue segmentation dataset. It improved the average Dice by 5.54, 5.01 and 6.89 percentage points for the three tasks compared with the baseline, respectively, and outperformed several state-of-the-art SFDA methods.

  • 9 authors
·
Sep 18, 2023

Rectifying Pseudo Label Learning via Uncertainty Estimation for Domain Adaptive Semantic Segmentation

This paper focuses on the unsupervised domain adaptation of transferring the knowledge from the source domain to the target domain in the context of semantic segmentation. Existing approaches usually regard the pseudo label as the ground truth to fully exploit the unlabeled target-domain data. Yet the pseudo labels of the target-domain data are usually predicted by the model trained on the source domain. Thus, the generated labels inevitably contain the incorrect prediction due to the discrepancy between the training domain and the test domain, which could be transferred to the final adapted model and largely compromises the training process. To overcome the problem, this paper proposes to explicitly estimate the prediction uncertainty during training to rectify the pseudo label learning for unsupervised semantic segmentation adaptation. Given the input image, the model outputs the semantic segmentation prediction as well as the uncertainty of the prediction. Specifically, we model the uncertainty via the prediction variance and involve the uncertainty into the optimization objective. To verify the effectiveness of the proposed method, we evaluate the proposed method on two prevalent synthetic-to-real semantic segmentation benchmarks, i.e., GTA5 -> Cityscapes and SYNTHIA -> Cityscapes, as well as one cross-city benchmark, i.e., Cityscapes -> Oxford RobotCar. We demonstrate through extensive experiments that the proposed approach (1) dynamically sets different confidence thresholds according to the prediction variance, (2) rectifies the learning from noisy pseudo labels, and (3) achieves significant improvements over the conventional pseudo label learning and yields competitive performance on all three benchmarks.

  • 2 authors
·
Oct 14, 2020

Uncertainty-quantified Rollout Policy Adaptation for Unlabelled Cross-domain Temporal Grounding

Video Temporal Grounding (TG) aims to temporally locate video segments matching a natural language description (a query) in a long video. While Vision-Language Models (VLMs) are effective at holistic semantic matching, they often struggle with fine-grained temporal localisation. Recently, Group Relative Policy Optimisation (GRPO) reformulates the inference process as a reinforcement learning task, enabling fine-grained grounding and achieving strong in-domain performance. However, GRPO relies on labelled data, making it unsuitable in unlabelled domains. Moreover, because videos are large and expensive to store and process, performing full-scale adaptation introduces prohibitive latency and computational overhead, making it impractical for real-time deployment. To overcome both problems, we introduce a Data-Efficient Unlabelled Cross-domain Temporal Grounding method, from which a model is first trained on a labelled source domain, then adapted to a target domain using only a small number of unlabelled videos from the target domain. This approach eliminates the need for target annotation and keeps both computational and storage overhead low enough to run in real time. Specifically, we introduce. Uncertainty-quantified Rollout Policy Adaptation (URPA) for cross-domain knowledge transfer in learning video temporal grounding without target labels. URPA generates multiple candidate predictions using GRPO rollouts, averages them to form a pseudo label, and estimates confidence from the variance across these rollouts. This confidence then weights the training rewards, guiding the model to focus on reliable supervision. Experiments on three datasets across six cross-domain settings show that URPA generalises well using only a few unlabelled target videos. Codes will be released once published.

  • 7 authors
·
Aug 8, 2025

QuCo-RAG: Quantifying Uncertainty from the Pre-training Corpus for Dynamic Retrieval-Augmented Generation

Dynamic Retrieval-Augmented Generation adaptively determines when to retrieve during generation to mitigate hallucinations in large language models (LLMs). However, existing methods rely on model-internal signals (e.g., logits, entropy), which are fundamentally unreliable because LLMs are typically ill-calibrated and often exhibit high confidence in erroneous outputs. We propose QuCo-RAG, which shifts from subjective confidence to objective statistics computed from pre-training data. Our method quantifies uncertainty through two stages: (1) before generation, we identify low-frequency entities indicating long-tail knowledge gaps; (2) during generation, we verify entity co-occurrence in the pre-training corpus, where zero co-occurrence often signals hallucination risk. Both stages leverage Infini-gram for millisecond-latency queries over 4 trillion tokens, triggering retrieval when uncertainty is high. Experiments on multi-hop QA benchmarks show QuCo-RAG achieves EM gains of 5--12 points over state-of-the-art baselines with OLMo-2 models, and transfers effectively to models with undisclosed pre-training data (Llama, Qwen, GPT), improving EM by up to 14 points. Domain generalization on biomedical QA further validates the robustness of our paradigm. These results establish corpus-grounded verification as a principled, practically model-agnostic paradigm for dynamic RAG. Our code is publicly available at https://github.com/ZhishanQ/QuCo-RAG.

  • 4 authors
·
Dec 22, 2025 2

AUGCAL: Improving Sim2Real Adaptation by Uncertainty Calibration on Augmented Synthetic Images

Synthetic data (SIM) drawn from simulators have emerged as a popular alternative for training models where acquiring annotated real-world images is difficult. However, transferring models trained on synthetic images to real-world applications can be challenging due to appearance disparities. A commonly employed solution to counter this SIM2REAL gap is unsupervised domain adaptation, where models are trained using labeled SIM data and unlabeled REAL data. Mispredictions made by such SIM2REAL adapted models are often associated with miscalibration - stemming from overconfident predictions on real data. In this paper, we introduce AUGCAL, a simple training-time patch for unsupervised adaptation that improves SIM2REAL adapted models by - (1) reducing overall miscalibration, (2) reducing overconfidence in incorrect predictions and (3) improving confidence score reliability by better guiding misclassification detection - all while retaining or improving SIM2REAL performance. Given a base SIM2REAL adaptation algorithm, at training time, AUGCAL involves replacing vanilla SIM images with strongly augmented views (AUG intervention) and additionally optimizing for a training time calibration loss on augmented SIM predictions (CAL intervention). We motivate AUGCAL using a brief analytical justification of how to reduce miscalibration on unlabeled REAL data. Through our experiments, we empirically show the efficacy of AUGCAL across multiple adaptation methods, backbones, tasks and shifts.

  • 5 authors
·
Dec 10, 2023

Uncertainty-Aware Unsupervised Image Deblurring with Deep Residual Prior

Non-blind deblurring methods achieve decent performance under the accurate blur kernel assumption. Since the kernel uncertainty (i.e. kernel error) is inevitable in practice, semi-blind deblurring is suggested to handle it by introducing the prior of the kernel (or induced) error. However, how to design a suitable prior for the kernel (or induced) error remains challenging. Hand-crafted prior, incorporating domain knowledge, generally performs well but may lead to poor performance when kernel (or induced) error is complex. Data-driven prior, which excessively depends on the diversity and abundance of training data, is vulnerable to out-of-distribution blurs and images. To address this challenge, we suggest a dataset-free deep residual prior for the kernel induced error (termed as residual) expressed by a customized untrained deep neural network, which allows us to flexibly adapt to different blurs and images in real scenarios. By organically integrating the respective strengths of deep priors and hand-crafted priors, we propose an unsupervised semi-blind deblurring model which recovers the latent image from the blurry image and inaccurate blur kernel. To tackle the formulated model, an efficient alternating minimization algorithm is developed. Extensive experiments demonstrate the favorable performance of the proposed method as compared to data-driven and model-driven methods in terms of image quality and the robustness to the kernel error.

  • 6 authors
·
Oct 9, 2022

DOMINO: Domain-aware Model Calibration in Medical Image Segmentation

Model calibration measures the agreement between the predicted probability estimates and the true correctness likelihood. Proper model calibration is vital for high-risk applications. Unfortunately, modern deep neural networks are poorly calibrated, compromising trustworthiness and reliability. Medical image segmentation particularly suffers from this due to the natural uncertainty of tissue boundaries. This is exasperated by their loss functions, which favor overconfidence in the majority classes. We address these challenges with DOMINO, a domain-aware model calibration method that leverages the semantic confusability and hierarchical similarity between class labels. Our experiments demonstrate that our DOMINO-calibrated deep neural networks outperform non-calibrated models and state-of-the-art morphometric methods in head image segmentation. Our results show that our method can consistently achieve better calibration, higher accuracy, and faster inference times than these methods, especially on rarer classes. This performance is attributed to our domain-aware regularization to inform semantic model calibration. These findings show the importance of semantic ties between class labels in building confidence in deep learning models. The framework has the potential to improve the trustworthiness and reliability of generic medical image segmentation models. The code for this article is available at: https://github.com/lab-smile/DOMINO.

  • 8 authors
·
Sep 12, 2022

Evaluating Uncertainty Quantification approaches for Neural PDEs in scientific applications

The accessibility of spatially distributed data, enabled by affordable sensors, field, and numerical experiments, has facilitated the development of data-driven solutions for scientific problems, including climate change, weather prediction, and urban planning. Neural Partial Differential Equations (Neural PDEs), which combine deep learning (DL) techniques with domain expertise (e.g., governing equations) for parameterization, have proven to be effective in capturing valuable correlations within spatiotemporal datasets. However, sparse and noisy measurements coupled with modeling approximation introduce aleatoric and epistemic uncertainties. Therefore, quantifying uncertainties propagated from model inputs to outputs remains a challenge and an essential goal for establishing the trustworthiness of Neural PDEs. This work evaluates various Uncertainty Quantification (UQ) approaches for both Forward and Inverse Problems in scientific applications. Specifically, we investigate the effectiveness of Bayesian methods, such as Hamiltonian Monte Carlo (HMC) and Monte-Carlo Dropout (MCD), and a more conventional approach, Deep Ensembles (DE). To illustrate their performance, we take two canonical PDEs: Burger's equation and the Navier-Stokes equation. Our results indicate that Neural PDEs can effectively reconstruct flow systems and predict the associated unknown parameters. However, it is noteworthy that the results derived from Bayesian methods, based on our observations, tend to display a higher degree of certainty in their predictions as compared to those obtained using the DE. This elevated certainty in predictions suggests that Bayesian techniques might underestimate the true underlying uncertainty, thereby appearing more confident in their predictions than the DE approach.

Adaptive Dual Uncertainty Optimization: Boosting Monocular 3D Object Detection under Test-Time Shifts

Accurate monocular 3D object detection (M3OD) is pivotal for safety-critical applications like autonomous driving, yet its reliability deteriorates significantly under real-world domain shifts caused by environmental or sensor variations. To address these shifts, Test-Time Adaptation (TTA) methods have emerged, enabling models to adapt to target distributions during inference. While prior TTA approaches recognize the positive correlation between low uncertainty and high generalization ability, they fail to address the dual uncertainty inherent to M3OD: semantic uncertainty (ambiguous class predictions) and geometric uncertainty (unstable spatial localization). To bridge this gap, we propose Dual Uncertainty Optimization (DUO), the first TTA framework designed to jointly minimize both uncertainties for robust M3OD. Through a convex optimization lens, we introduce an innovative convex structure of the focal loss and further derive a novel unsupervised version, enabling label-agnostic uncertainty weighting and balanced learning for high-uncertainty objects. In parallel, we design a semantic-aware normal field constraint that preserves geometric coherence in regions with clear semantic cues, reducing uncertainty from the unstable 3D representation. This dual-branch mechanism forms a complementary loop: enhanced spatial perception improves semantic classification, and robust semantic predictions further refine spatial understanding. Extensive experiments demonstrate the superiority of DUO over existing methods across various datasets and domain shift types.

  • 7 authors
·
Aug 28, 2025

Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls

Neural network (NN) potentials promise highly accurate molecular dynamics (MD) simulations within the computational complexity of classical MD force fields. However, when applied outside their training domain, NN potential predictions can be inaccurate, increasing the need for Uncertainty Quantification (UQ). Bayesian modeling provides the mathematical framework for UQ, but classical Bayesian methods based on Markov chain Monte Carlo (MCMC) are computationally intractable for NN potentials. By training graph NN potentials for coarse-grained systems of liquid water and alanine dipeptide, we demonstrate here that scalable Bayesian UQ via stochastic gradient MCMC (SG-MCMC) yields reliable uncertainty estimates for MD observables. We show that cold posteriors can reduce the required training data size and that for reliable UQ, multiple Markov chains are needed. Additionally, we find that SG-MCMC and the Deep Ensemble method achieve comparable results, despite shorter training and less hyperparameter tuning of the latter. We show that both methods can capture aleatoric and epistemic uncertainty reliably, but not systematic uncertainty, which needs to be minimized by adequate modeling to obtain accurate credible intervals for MD observables. Our results represent a step towards accurate UQ that is of vital importance for trustworthy NN potential-based MD simulations required for decision-making in practice.

  • 3 authors
·
Dec 15, 2022

FlickerFusion: Intra-trajectory Domain Generalizing Multi-Agent RL

Multi-agent reinforcement learning has demonstrated significant potential in addressing complex cooperative tasks across various real-world applications. However, existing MARL approaches often rely on the restrictive assumption that the number of entities (e.g., agents, obstacles) remains constant between training and inference. This overlooks scenarios where entities are dynamically removed or added during the inference trajectory -- a common occurrence in real-world environments like search and rescue missions and dynamic combat situations. In this paper, we tackle the challenge of intra-trajectory dynamic entity composition under zero-shot out-of-domain (OOD) generalization, where such dynamic changes cannot be anticipated beforehand. Our empirical studies reveal that existing MARL methods suffer significant performance degradation and increased uncertainty in these scenarios. In response, we propose FlickerFusion, a novel OOD generalization method that acts as a universally applicable augmentation technique for MARL backbone methods. FlickerFusion stochastically drops out parts of the observation space, emulating being in-domain when inferenced OOD. The results show that FlickerFusion not only achieves superior inference rewards but also uniquely reduces uncertainty vis-\`a-vis the backbone, compared to existing methods. Benchmarks, implementations, and model weights are organized and open-sourced at flickerfusion305.github.io, accompanied by ample demo video renderings.

  • 8 authors
·
Oct 21, 2024

Uncertainty-Aware Testing-Time Optimization for 3D Human Pose Estimation

Although data-driven methods have achieved success in 3D human pose estimation, they often suffer from domain gaps and exhibit limited generalization. In contrast, optimization-based methods excel in fine-tuning for specific cases but are generally inferior to data-driven methods in overall performance. We observe that previous optimization-based methods commonly rely on a projection constraint, which only ensures alignment in 2D space, potentially leading to the overfitting problem. To address this, we propose an Uncertainty-Aware testing-time Optimization (UAO) framework, which keeps the prior information of the pre-trained model and alleviates the overfitting problem using the uncertainty of joints. Specifically, during the training phase, we design an effective 2D-to-3D network for estimating the corresponding 3D pose while quantifying the uncertainty of each 3D joint. For optimization during testing, the proposed optimization framework freezes the pre-trained model and optimizes only a latent state. Projection loss is then employed to ensure the generated poses are well aligned in 2D space for high-quality optimization. Furthermore, we utilize the uncertainty of each joint to determine how much each joint is allowed for optimization. The effectiveness and superiority of the proposed framework are validated through extensive experiments on challenging datasets: Human3.6M, MPI-INF-3DHP, and 3DPW. Notably, our approach outperforms the previous best result by a large margin of 5.5\% on Human3.6M. Code is available at https://github.com/xiu-cs/UAO-Pose3D{https://github.com/xiu-cs/UAO-Pose3D}.

  • 8 authors
·
Feb 3, 2024

Domain-Informed Multi-View Self-Distillation for Astronomical Light-Curve Representation Learning with JEPA

Light curves describe temporal variations in the brightness of celestial objects. Learning robust representations of light curves is essential for large-scale automatic discovery in the dynamic universe, but existing time-series foundation models often struggle with the uneven sampling, complex noise, and wide range of physical timescales that characterize astronomical observations. We propose a domain-informed representation learning framework for irregular astronomical time series with Joint-Embedding predictive architecture (JEPA), combining semantics-preserving views, uncertainty-aware tokenization, and multi-view self-distillation. The encoders are trained with multi-view self-distillation using LeJEPA regularization on the LEAVES dataset and evaluated on the StarEmbed classification benchmark. On StarEmbed, our model outperforms hand-crafted features on 15 of 16 classification metrics. In few-shot linear probing, it achieves macro-F1 scores of 42.56 pm 7.21 with one sample per class and 63.58 pm 1.20 with 100 samples per class, consistently improving over hand-crafted features. Beyond variable-star classification, the learned representation supports similarity search, parameter estimation, and photometric zero-point drift detection. We further evaluate cross-domain adaptation on 12 heterogeneous irregular time-series datasets from PYRREGULAR, where the adapted variant matches or exceeds previous state-of-the-art performance on 5 datasets, compared with at most 3 wins by any single prior baseline. These results demonstrate that domain-informed multi-view self-distillation is an effective strategy for learning representations of irregular time series, while also highlighting that successful time-series representation learning requires domain-specific inductive biases rather than a universally optimal architecture.

  • 1 authors
·
Jun 25

Informative Data Mining for One-Shot Cross-Domain Semantic Segmentation

Contemporary domain adaptation offers a practical solution for achieving cross-domain transfer of semantic segmentation between labeled source data and unlabeled target data. These solutions have gained significant popularity; however, they require the model to be retrained when the test environment changes. This can result in unbearable costs in certain applications due to the time-consuming training process and concerns regarding data privacy. One-shot domain adaptation methods attempt to overcome these challenges by transferring the pre-trained source model to the target domain using only one target data. Despite this, the referring style transfer module still faces issues with computation cost and over-fitting problems. To address this problem, we propose a novel framework called Informative Data Mining (IDM) that enables efficient one-shot domain adaptation for semantic segmentation. Specifically, IDM provides an uncertainty-based selection criterion to identify the most informative samples, which facilitates quick adaptation and reduces redundant training. We then perform a model adaptation method using these selected samples, which includes patch-wise mixing and prototype-based information maximization to update the model. This approach effectively enhances adaptation and mitigates the overfitting problem. In general, we provide empirical evidence of the effectiveness and efficiency of IDM. Our approach outperforms existing methods and achieves a new state-of-the-art one-shot performance of 56.7\%/55.4\% on the GTA5/SYNTHIA to Cityscapes adaptation tasks, respectively. The code will be released at https://github.com/yxiwang/IDM.

  • 6 authors
·
Sep 25, 2023

Pretrain-then-Adapt: Uncertainty-Aware Test-Time Adaptation for Text-based Person Search

Text-based person search faces inherent limitations due to data scarcity, driven by stringent privacy constraints and the high cost of manual annotation. To mitigate this, existing methods usually rely on a Pretrain-then-Finetune paradigm, where models are first pretrained on synthetic person-caption data to establish cross-modal alignment, followed by fine-tuning on labeled real-world datasets. However, this paradigm lacks practicality in real-world deployment scenarios, where large-scale annotated target-domain data is typically inaccessible. In this work, we propose a new Pretrain-then-Adapt paradigm that eliminates reliance on extensive target-domain supervision through an offline test-time adaptation manner, enabling dynamic model adaptation using only unlabeled test data with minimal post-train time cost. To mitigate overconfidence with false positives of previous entropy-based test-time adaptation, we propose an Uncertainty-Aware Test-Time Adaptation (UATTA) framework, which introduces a bidirectional retrieval disagreement mechanism to estimate uncertainty, i.e., low uncertainty is assigned when an image-text pair ranks highly in both image-to-text and text-to-image retrieval, indicating high alignment; otherwise, high uncertainty is detected. This indicator drives offline test-time model recalibration without labels, effectively mitigating domain shift. We validate UATTA on four benchmarks, i.e., CUHK-PEDES, ICFG-PEDES, RSTPReid, and PAB, showing consistent improvements across both CLIP-based (one-stage) and XVLM-based (two-stage) frameworks. Ablation studies confirm that UATTA outperforms existing offline test-time adaptation strategies, establishing a new benchmark for label-efficient, deployable person search systems. Our code is available at https://github.com/nkuzjh/UATTA.

  • 4 authors
·
Apr 26

MADE: A Living Benchmark for Multi-Label Text Classification with Uncertainty Quantification of Medical Device Adverse Events

Machine learning in high-stakes domains such as healthcare requires not only strong predictive performance but also reliable uncertainty quantification (UQ) to support human oversight. Multi-label text classification (MLTC) is a central task in this domain, yet remains challenging due to label imbalances, dependencies, and combinatorial complexity. Existing MLTC benchmarks are increasingly saturated and may be affected by training data contamination, making it difficult to distinguish genuine reasoning capabilities from memorization. We introduce MADE, a living MLTC benchmark derived from {m}edical device {ad}verse {e}vent reports and continuously updated with newly published reports to prevent contamination. MADE features a long-tailed distribution of hierarchical labels and enables reproducible evaluation with strict temporal splits. We establish baselines across more than 20 encoder- and decoder-only models under fine-tuning and few-shot settings (instruction-tuned/reasoning variants, local/API-accessible). We systematically assess entropy-/consistency-based and self-verbalized UQ methods. Results show clear trade-offs: smaller discriminatively fine-tuned decoders achieve the strongest head-to-tail accuracy while maintaining competitive UQ; generative fine-tuning delivers the most reliable UQ; large reasoning models improve performance on rare labels yet exhibit surprisingly weak UQ; and self-verbalized confidence is not a reliable proxy for uncertainty. Our work is publicly available at https://hhi.fraunhofer.de/aml-demonstrator/made-benchmark.

  • 6 authors
·
Apr 15

Improving Metacognition and Uncertainty Communication in Language Models

Large language models (LLMs) are increasingly used in decision-making contexts, but when they present answers without signaling low confidence, users may unknowingly act on erroneous outputs. Prior work shows that LLMs maintain internal uncertainty signals, yet their expressed confidence is often miscalibrated and poorly discriminates between correct and incorrect answers. We investigate whether supervised fine-tuning can improve models' ability to communicate uncertainty and whether such improvements generalize across tasks and domains. We fine-tune LLMs on datasets spanning general knowledge, mathematics, and open-ended trivia, and evaluate two metacognitive tasks: (1) single-question confidence estimation, where the model assigns a numeric certainty to its answer, and (2) pairwise confidence comparison, where the model selects which of two answers it is more likely to answer correctly. We assess generalization to unseen domains, including medical and legal reasoning. Results show that fine-tuning improves calibration (alignment between stated confidence and accuracy) and discrimination (higher confidence for correct vs. incorrect responses) within and across domains. However, gains are task-specific: training on single-question calibration does not transfer to pairwise comparison, and vice versa. Multitask fine-tuning yields broader gains, lowering calibration error and strengthening discrimination in out-of-domain evaluations. This suggests that uncertainty communication in LLMs is trainable but requires multitask training to generalize effectively.

  • 3 authors
·
Sep 30, 2025

A Framework for Uncertainty Estimation in Seismology Data Processing with Application to Extract Rayleigh Wave Dispersion Curves from Noise Cross-correlation Functions

Extracting meaningful information from large seismic datasets often requires estimating the uncertainty associated with the results for quantitative analysis. This uncertainty arises from both the raw data and the manually labeled annotations. We introduce an uncertainty estimation framework designed to calculate the uncertainty from manually labeled data. This framework can efficiently output the true posterior from large datasets. We apply the framework to extract Rayleigh wave phase velocity dispersion and compute the posterior distribution of the dispersion results. We utilize 62,899 noise cross-correlation function (NCF) data from 438 stations located in Yunnan Province and manually label the Rayleigh phase velocity dispersion curves. Dispersion curve extraction presents two key challenges: (1) Researchers typically derive dispersion curves from spectrograms in the periodvelocity domain, limiting the ability to directly study the relationship between NCFs and dispersion curves; (2) Assessing uncertainty in manually labeled data remains difficult. To address these challenges, the framework takes the NCFs as input and directly output both the dispersion values and the posterior of the dispersion values when processing the NCF data. This approach allows us to construct a flexible deep neural network (DNN) architecture that balances accuracy and computational efficiency.

  • 2 authors
·
Mar 25, 2025

Cross-Modal and Uncertainty-Aware Agglomeration for Open-Vocabulary 3D Scene Understanding

The lack of a large-scale 3D-text corpus has led recent works to distill open-vocabulary knowledge from vision-language models (VLMs). However, these methods typically rely on a single VLM to align the feature spaces of 3D models within a common language space, which limits the potential of 3D models to leverage the diverse spatial and semantic capabilities encapsulated in various foundation models. In this paper, we propose Cross-modal and Uncertainty-aware Agglomeration for Open-vocabulary 3D Scene Understanding dubbed CUA-O3D, the first model to integrate multiple foundation models-such as CLIP, DINOv2, and Stable Diffusion-into 3D scene understanding. We further introduce a deterministic uncertainty estimation to adaptively distill and harmonize the heterogeneous 2D feature embeddings from these models. Our method addresses two key challenges: (1) incorporating semantic priors from VLMs alongside the geometric knowledge of spatially-aware vision foundation models, and (2) using a novel deterministic uncertainty estimation to capture model-specific uncertainties across diverse semantic and geometric sensitivities, helping to reconcile heterogeneous representations during training. Extensive experiments on ScanNetV2 and Matterport3D demonstrate that our method not only advances open-vocabulary segmentation but also achieves robust cross-domain alignment and competitive spatial perception capabilities. The code will be available at: https://github.com/TyroneLi/CUA_O3D.

  • 4 authors
·
Mar 20, 2025

Uncertainty Quantification for Multi-fidelity Simulations

The work focuses on gathering high-fidelity and low-fidelity numerical simulations data using Nektar++ (Solver based on Applied Mathematics) and XFOIL respectively. The utilization of the higher polynomial distribution in calculating the Coefficient of lift and drag has demonstrated superior accuracy and precision. Further, Co-kriging Data fusion and Adaptive sampling technique has been used to obtain the precise data predictions for the lift and drag within the confined domain without conducting the costly simulations on HPC clusters. This creates a methodology to quantifying uncertainty in computational fluid dynamics by minimizing the required number of samples. To minimize the reliability on high-fidelity numerical simulations in Uncertainty Quantification, a multi-fidelity strategy has been adopted. The effectiveness of the multi-fidelity deep neural network model has been validated through the approximation of benchmark functions across 1-, 32-, and 100-dimensional, encompassing both linear and nonlinear correlations. The surrogate modelling results showed that multi-fidelity deep neural network model has shown excellent approximation capabilities for the test functions and multi-fidelity deep neural network method has outperformed Co-kriging in effectiveness. In addition to that, multi-fidelity deep neural network model is utilized for the simulation of aleatory uncertainty propagation in 1-, 32-, and 100 dimensional function test, considering both uniform and Gaussian distributions for input uncertainties. The results have shown that multi-fidelity deep neural network model has efficiently predicted the probability density distributions of quantities of interest as well as the statistical moments with precision and accuracy. The Co-Kriging model has exhibited limitations when addressing 32-Dimension problems due to the limitation of memory capacity for storage and manipulation.

  • 1 authors
·
Mar 11, 2025

Adverse Weather Image Translation with Asymmetric and Uncertainty-aware GAN

Adverse weather image translation belongs to the unsupervised image-to-image (I2I) translation task which aims to transfer adverse condition domain (eg, rainy night) to standard domain (eg, day). It is a challenging task because images from adverse domains have some artifacts and insufficient information. Recently, many studies employing Generative Adversarial Networks (GANs) have achieved notable success in I2I translation but there are still limitations in applying them to adverse weather enhancement. Symmetric architecture based on bidirectional cycle-consistency loss is adopted as a standard framework for unsupervised domain transfer methods. However, it can lead to inferior translation result if the two domains have imbalanced information. To address this issue, we propose a novel GAN model, i.e., AU-GAN, which has an asymmetric architecture for adverse domain translation. We insert a proposed feature transfer network ({T}-net) in only a normal domain generator (i.e., rainy night-> day) to enhance encoded features of the adverse domain image. In addition, we introduce asymmetric feature matching for disentanglement of encoded features. Finally, we propose uncertainty-aware cycle-consistency loss to address the regional uncertainty of a cyclic reconstructed image. We demonstrate the effectiveness of our method by qualitative and quantitative comparisons with state-of-the-art models. Codes are available at https://github.com/jgkwak95/AU-GAN.

  • 6 authors
·
Dec 8, 2021

VOGUE: Guiding Exploration with Visual Uncertainty Improves Multimodal Reasoning

Reinforcement learning with verifiable rewards (RLVR) improves reasoning in large language models (LLMs) but struggles with exploration, an issue that still persists for multimodal LLMs (MLLMs). Current methods treat the visual input as a fixed, deterministic condition, overlooking a critical source of ambiguity and struggling to build policies robust to plausible visual variations. We introduce VOGUE (Visual Uncertainty Guided Exploration), a novel method that shifts exploration from the output (text) to the input (visual) space. By treating the image as a stochastic context, VOGUE quantifies the policy's sensitivity to visual perturbations using the symmetric KL divergence between a "raw" and "noisy" branch, creating a direct signal for uncertainty-aware exploration. This signal shapes the learning objective via an uncertainty-proportional bonus, which, combined with a token-entropy bonus and an annealed sampling schedule, effectively balances exploration and exploitation. Implemented within GRPO on two model scales (Qwen2.5-VL-3B/7B), VOGUE boosts pass@1 accuracy by an average of 2.6% on three visual math benchmarks and 3.7% on three general-domain reasoning benchmarks, while simultaneously increasing pass@4 performance and mitigating the exploration decay commonly observed in RL fine-tuning. Our work shows that grounding exploration in the inherent uncertainty of visual inputs is an effective strategy for improving multimodal reasoning.

tencent Tencent
·
Oct 1, 2025 2

StyleSinger: Style Transfer for Out-of-Domain Singing Voice Synthesis

Style transfer for out-of-domain (OOD) singing voice synthesis (SVS) focuses on generating high-quality singing voices with unseen styles (such as timbre, emotion, pronunciation, and articulation skills) derived from reference singing voice samples. However, the endeavor to model the intricate nuances of singing voice styles is an arduous task, as singing voices possess a remarkable degree of expressiveness. Moreover, existing SVS methods encounter a decline in the quality of synthesized singing voices in OOD scenarios, as they rest upon the assumption that the target vocal attributes are discernible during the training phase. To overcome these challenges, we propose StyleSinger, the first singing voice synthesis model for zero-shot style transfer of out-of-domain reference singing voice samples. StyleSinger incorporates two critical approaches for enhanced effectiveness: 1) the Residual Style Adaptor (RSA) which employs a residual quantization module to capture diverse style characteristics in singing voices, and 2) the Uncertainty Modeling Layer Normalization (UMLN) to perturb the style attributes within the content representation during the training phase and thus improve the model generalization. Our extensive evaluations in zero-shot style transfer undeniably establish that StyleSinger outperforms baseline models in both audio quality and similarity to the reference singing voice samples. Access to singing voice samples can be found at https://stylesinger.github.io/.

  • 9 authors
·
Dec 17, 2023

On the Generalization of Representation Uncertainty in Earth Observation

Recent advances in Computer Vision have introduced the concept of pretrained representation uncertainty, enabling zero-shot uncertainty estimation. This holds significant potential for Earth Observation (EO), where trustworthiness is critical, yet the complexity of EO data poses challenges to uncertainty-aware methods. In this work, we investigate the generalization of representation uncertainty in EO, considering the domain's unique semantic characteristics. We pretrain uncertainties on large EO datasets and propose an evaluation framework to assess their zero-shot performance in multi-label classification and segmentation EO tasks. Our findings reveal that, unlike uncertainties pretrained on natural images, EO-pretraining exhibits strong generalization across unseen EO domains, geographic locations, and target granularities, while maintaining sensitivity to variations in ground sampling distance. We demonstrate the practical utility of pretrained uncertainties showcasing their alignment with task-specific uncertainties in downstream tasks, their sensitivity to real-world EO image noise, and their ability to generate spatial uncertainty estimates out-of-the-box. Initiating the discussion on representation uncertainty in EO, our study provides insights into its strengths and limitations, paving the way for future research in the field. Code and weights are available at: https://github.com/Orion-AI-Lab/EOUncertaintyGeneralization.

  • 6 authors
·
Mar 10, 2025

Know the Unknown: An Uncertainty-Sensitive Method for LLM Instruction Tuning

Large language models (LLMs) have demonstrated remarkable capabilities across various tasks but still face challenges such as hallucinations. One potential reason for hallucinations is the lack of relevant knowledge or context. Thus, a promising solution to mitigate this issue involves instructing LLMs to respond with "I do not know" when a question falls outside their knowledge domain or the provided context. However, in this work, we observed that LLMs struggle to admit their lack of knowledge, primarily due to existing instruction datasets designed to encourage specific answers. To improve large language models' capability to recognize the boundaries of their knowledge, we propose a novel approach called uncertainty-sensitive tuning. This method involves two-stage training designed for uncertainty recognition and prompt-sensitive activation. In the first stage, we guide the LLM to reject unknown questions. In the second stage, we recover the decreased performance in QA tasks by incorporating designed causal instructions. By leveraging this method, we aim to enhance the model's ability to identify areas of uncertainty. The experimental results demonstrate that our proposed uncertainty-sensitive tuning method significantly improves the performance of the Llama2-chat-7B model. Specifically, it achieves a substantial 34.7% improvement in handling questions involving knowledge gaps compared to the original model. Moreover, our approach outperforms GPT-4, exhibiting a 9.4% increase in overall performance. We open-source the model and code on GitHub.

  • 3 authors
·
Jun 14, 2024

CAR-bench: Evaluating the Consistency and Limit-Awareness of LLM Agents under Real-World Uncertainty

Existing benchmarks for Large Language Model (LLM) agents focus on task completion under idealistic settings but overlook reliability in real-world, user-facing applications. In domains, such as in-car voice assistants, users often issue incomplete or ambiguous requests, creating intrinsic uncertainty that agents must manage through dialogue, tool use, and policy adherence. We introduce CAR-bench, a benchmark for evaluating consistency, uncertainty handling, and capability awareness in multi-turn, tool-using LLM agents in an in-car assistant domain. The environment features an LLM-simulated user, domain policies, and 58 interconnected tools spanning navigation, productivity, charging, and vehicle control. Beyond standard task completion, CAR-bench introduces Hallucination tasks that test agents' limit-awareness under missing tools or information, and Disambiguation tasks that require resolving uncertainty through clarification or internal information gathering. Baseline results reveal large gaps between occasional and consistent success on all task types. Even frontier reasoning LLMs achieve less than 50% consistent pass rate on Disambiguation tasks due to premature actions, and frequently violate policies or fabricate information to satisfy user requests in Hallucination tasks, underscoring the need for more reliable and self-aware LLM agents in real-world settings.

CLIPoint3D: Language-Grounded Few-Shot Unsupervised 3D Point Cloud Domain Adaptation

Recent vision-language models (VLMs) such as CLIP demonstrate impressive cross-modal reasoning, extending beyond images to 3D perception. Yet, these models remain fragile under domain shifts, especially when adapting from synthetic to real-world point clouds. Conventional 3D domain adaptation approaches rely on heavy trainable encoders, yielding strong accuracy but at the cost of efficiency. We introduce CLIPoint3D, the first framework for few-shot unsupervised 3D point cloud domain adaptation built upon CLIP. Our approach projects 3D samples into multiple depth maps and exploits the frozen CLIP backbone, refined through a knowledge-driven prompt tuning scheme that integrates high-level language priors with geometric cues from a lightweight 3D encoder. To adapt task-specific features effectively, we apply parameter-efficient fine-tuning to CLIP's encoders and design an entropy-guided view sampling strategy for selecting confident projections. Furthermore, an optimal transport-based alignment loss and an uncertainty-aware prototype alignment loss collaboratively bridge source-target distribution gaps while maintaining class separability. Extensive experiments on PointDA-10 and GraspNetPC-10 benchmarks show that CLIPoint3D achieves consistent 3-16% accuracy gains over both CLIP-based and conventional encoder-based baselines. Codes are available at https://github.com/SarthakM320/CLIPoint3D.

  • 6 authors
·
Feb 22

Enhancing Trust in Large Language Models with Uncertainty-Aware Fine-Tuning

Large language models (LLMs) have revolutionized the field of natural language processing with their impressive reasoning and question-answering capabilities. However, these models are sometimes prone to generating credible-sounding but incorrect information, a phenomenon known as LLM hallucinations. Reliable uncertainty estimation in LLMs is essential for fostering trust in their generated responses and serves as a critical tool for the detection and prevention of erroneous or hallucinated outputs. To achieve reliable and well-calibrated uncertainty quantification in open-ended and free-form natural language generation, we propose an uncertainty-aware fine-tuning approach for LLMs. This approach enhances the model's ability to provide reliable uncertainty estimates without compromising accuracy, thereby guiding them to produce more trustworthy responses. We introduce a novel uncertainty-aware causal language modeling loss function, grounded in the principles of decision theory. Through rigorous evaluation on multiple free-form question-answering datasets and models, we demonstrate that our uncertainty-aware fine-tuning approach yields better calibrated uncertainty estimates in natural language generation tasks than fine-tuning with the standard causal language modeling loss. Furthermore, the experimental results show that the proposed method significantly improves the model's ability to detect hallucinations and identify out-of-domain prompts.

  • 3 authors
·
Dec 3, 2024

Aggregating Soft Labels from Crowd Annotations Improves Uncertainty Estimation Under Distribution Shift

Selecting an effective training signal for machine learning tasks is difficult: expert annotations are expensive, and crowd-sourced annotations may not be reliable. Recent work has demonstrated that learning from a distribution over labels acquired from crowd annotations can be effective both for performance and uncertainty estimation. However, this has mainly been studied using a limited set of soft-labeling methods in an in-domain setting. Additionally, no one method has been shown to consistently perform well across tasks, making it difficult to know a priori which to choose. To fill these gaps, this paper provides the first large-scale empirical study on learning from crowd labels in the out-of-domain setting, systematically analyzing 8 soft-labeling methods on 4 language and vision tasks. Additionally, we propose to aggregate soft-labels via a simple average in order to achieve consistent performance across tasks. We demonstrate that this yields classifiers with improved predictive uncertainty estimation in most settings while maintaining consistent raw performance compared to learning from individual soft-labeling methods or taking a majority vote of the annotations. We additionally highlight that in regimes with abundant or minimal training data, the selection of soft labeling method is less important, while for highly subjective labels and moderate amounts of training data, aggregation yields significant improvements in uncertainty estimation over individual methods. Code can be found at https://github.com/copenlu/aggregating-crowd-annotations-ood.

  • 2 authors
·
Dec 19, 2022

More layers! End-to-end regression and uncertainty on tabular data with deep learning

This paper attempts to analyze the effectiveness of deep learning for tabular data processing. It is believed that decision trees and their ensembles is the leading method in this domain, and deep neural networks must be content with computer vision and so on. But the deep neural network is a framework for building gradient-based hierarchical representations, and this key feature should be able to provide the best processing of generic structured (tabular) data, not just image matrices and audio spectrograms. This problem is considered through the prism of the Weather Prediction track in the Yandex Shifts challenge (in other words, the Yandex Shifts Weather task). This task is a variant of the classical tabular data regression problem. It is also connected with another important problem: generalization and uncertainty in machine learning. This paper proposes an end-to-end algorithm for solving the problem of regression with uncertainty on tabular data, which is based on the combination of four ideas: 1) deep ensemble of self-normalizing neural networks, 2) regression as parameter estimation of the Gaussian target error distribution, 3) hierarchical multitask learning, and 4) simple data preprocessing. Three modifications of the proposed algorithm form the top-3 leaderboard of the Yandex Shifts Weather challenge respectively. This paper considers that this success has occurred due to the fundamental properties of the deep learning algorithm, and tries to prove this.

  • 1 authors
·
Dec 7, 2021

Narrowing the Knowledge Evaluation Gap: Open-Domain Question Answering with Multi-Granularity Answers

Factual questions typically can be answered correctly at different levels of granularity. For example, both ``August 4, 1961'' and ``1961'' are correct answers to the question ``When was Barack Obama born?''. Standard question answering (QA) evaluation protocols, however, do not explicitly take this into account and compare a predicted answer against answers of a single granularity level. In this work, we propose GRANOLA QA, a novel evaluation setting where a predicted answer is evaluated in terms of accuracy and informativeness against a set of multi-granularity answers. We present a simple methodology for enriching existing datasets with multi-granularity answers, and create GRANOLA-EQ, a multi-granularity version of the EntityQuestions dataset. We evaluate a range of decoding methods on GRANOLA-EQ, including a new algorithm, called Decoding with Response Aggregation (DRAG), that is geared towards aligning the response granularity with the model's uncertainty. Our experiments show that large language models with standard decoding tend to generate specific answers, which are often incorrect. In contrast, when evaluated on multi-granularity answers, DRAG yields a nearly 20 point increase in accuracy on average, which further increases for rare entities. Overall, this reveals that standard evaluation and decoding schemes may significantly underestimate the knowledge encapsulated in LMs.

  • 3 authors
·
Jan 9, 2024

Beyond Binary Rewards: Training LMs to Reason About Their Uncertainty

When language models (LMs) are trained via reinforcement learning (RL) to generate natural language "reasoning chains", their performance improves on a variety of difficult question answering tasks. Today, almost all successful applications of RL for reasoning use binary reward functions that evaluate the correctness of LM outputs. Because such reward functions do not penalize guessing or low-confidence outputs, they often have the unintended side-effect of degrading calibration and increasing the rate at which LMs generate incorrect responses (or "hallucinate") in other problem domains. This paper describes RLCR (Reinforcement Learning with Calibration Rewards), an approach to training reasoning models that jointly improves accuracy and calibrated confidence estimation. During RLCR, LMs generate both predictions and numerical confidence estimates after reasoning. They are trained to optimize a reward function that augments a binary correctness score with a Brier score -- a scoring rule for confidence estimates that incentivizes calibrated prediction. We first prove that this reward function (or any analogous reward function that uses a bounded, proper scoring rule) yields models whose predictions are both accurate and well-calibrated. We next show that across diverse datasets, RLCR substantially improves calibration with no loss in accuracy, on both in-domain and out-of-domain evaluations -- outperforming both ordinary RL training and classifiers trained to assign post-hoc confidence scores. While ordinary RL hurts calibration, RLCR improves it. Finally, we demonstrate that verbalized confidence can be leveraged at test time to improve accuracy and calibration via confidence-weighted scaling methods. Our results show that explicitly optimizing for calibration can produce more generally reliable reasoning models.

  • 7 authors
·
Jul 22, 2025 1

Phys2Real: Fusing VLM Priors with Interactive Online Adaptation for Uncertainty-Aware Sim-to-Real Manipulation

Learning robotic manipulation policies directly in the real world can be expensive and time-consuming. While reinforcement learning (RL) policies trained in simulation present a scalable alternative, effective sim-to-real transfer remains challenging, particularly for tasks that require precise dynamics. To address this, we propose Phys2Real, a real-to-sim-to-real RL pipeline that combines vision-language model (VLM)-inferred physical parameter estimates with interactive adaptation through uncertainty-aware fusion. Our approach consists of three core components: (1) high-fidelity geometric reconstruction with 3D Gaussian splatting, (2) VLM-inferred prior distributions over physical parameters, and (3) online physical parameter estimation from interaction data. Phys2Real conditions policies on interpretable physical parameters, refining VLM predictions with online estimates via ensemble-based uncertainty quantification. On planar pushing tasks of a T-block with varying center of mass (CoM) and a hammer with an off-center mass distribution, Phys2Real achieves substantial improvements over a domain randomization baseline: 100% vs 79% success rate for the bottom-weighted T-block, 57% vs 23% in the challenging top-weighted T-block, and 15% faster average task completion for hammer pushing. Ablation studies indicate that the combination of VLM and interaction information is essential for success. Project website: https://phys2real.github.io/ .

  • 6 authors
·
Oct 13, 2025

Rethinking Weak-to-Strong Augmentation in Source-Free Domain Adaptive Object Detection

Source-Free domain adaptive Object Detection (SFOD) aims to transfer a detector (pre-trained on source domain) to new unlabelled target domains. Current SFOD methods typically follow the Mean Teacher framework, where weak-to-strong augmentation provides diverse and sharp contrast for self-supervised learning. However, this augmentation strategy suffers from an inherent problem called crucial semantics loss: Due to random, strong disturbance, strong augmentation is prone to losing typical visual components, hindering cross-domain feature extraction. To address this thus-far ignored limitation, this paper introduces a novel Weak-to-Strong Contrastive Learning (WSCoL) approach. The core idea is to distill semantics lossless knowledge in the weak features (from the weak/teacher branch) to guide the representation learning upon the strong features (from the strong/student branch). To achieve this, we project the original features into a shared space using a mapping network, thereby reducing the bias between the weak and strong features. Meanwhile, a weak features-guided contrastive learning is performed in a weak-to-strong manner alternatively. Specifically, we first conduct an adaptation-aware prototype-guided clustering on the weak features to generate pseudo labels for corresponding strong features matched through proposals. Sequentially, we identify positive-negative samples based on the pseudo labels and perform cross-category contrastive learning on the strong features where an uncertainty estimator encourages adaptive background contrast. Extensive experiments demonstrate that WSCoL yields new state-of-the-art performance, offering a built-in mechanism mitigating crucial semantics loss for traditional Mean Teacher framework. The code and data will be released soon.

  • 7 authors
·
Oct 7, 2024

HiL-Bench (Human-in-Loop Benchmark): Do Agents Know When to Ask for Help?

Frontier coding agents solve complex tasks when given complete context but collapse when specifications are incomplete or ambiguous. The bottleneck is not raw capability, but judgment: knowing when to act autonomously and when to ask for help. Current benchmarks are blind to this failure mode. They supply unambiguous detailed instructions and solely reward execution correctness, so an agent that makes a lucky guess for a missing requirement will score identically to one that would have asked to be certain. We present HiL-Bench (Human-in-the-Loop Benchmark) to measure this selective escalation skill. Each task contains human-validated blockers (missing information, ambiguous requests, contradictory information) that surface only through progressive exploration, not upfront inspection. Our core metric, Ask-F1, the harmonic mean of question precision and blocker recall, captures the tension between over-asking and silent guessing; its structure architecturally prevents gaming through question spam. Evaluation across SWE and text-to-SQL domains reveals a large universal judgment gap: no frontier model recovers more than a fraction of its full-information performance when deciding whether to ask. Failure analysis identifies three key help-seeking patterns: overconfident wrong beliefs with no gap detection; high uncertainty detection yet persistent errors; broad, imprecise escalation without self-correction. These consistent patterns confirm poor help-seeking is a model-level flaw, not task-specific. RL training on shaped Ask-F1 reward shows judgment is trainable: a 32B model improves both help-seeking quality and task pass rate, with gains that transfer across domains. The model does not learn domain-specific heuristics for when to ask; it learns to detect unresolvable uncertainty and act on it.

ScaleAI Scale AI
·
Apr 28 2

Reasoning Models Don't Just Think Longer, They Move Differently

Reasoning-trained language models often spend more tokens on harder problems, but longer chains of thought do not show whether a model is merely computing for more steps or following a different internal trajectory. We study this distinction through hidden-state trajectories during chain-of-thought generation across competitive programming, mathematics, and Boolean satisfiability. Raw trajectory geometry is strongly shaped by generation length: longer generations mechanically alter path statistics, so difficulty-dependent comparisons are misleading without adjustment. After residualizing trajectory statistics on length, difficulty remains systematically coupled to corrected trajectory geometry across all domains studied. The clearest reasoning-specific separation appears in the code domain, where harder problems show more direct corrected trajectories and less heterogeneous local curvature in reasoning-trained models than in matched instruction-tuned baselines. Corrected difficulty-geometry coupling is weaker, but still present, in mathematics and Boolean satisfiability. Prompt-stage linear probes do not mirror the code-domain separation, and behavioral annotations show that stronger corrected coupling co-occurs with strategy shifts and uncertainty monitoring. Together, these findings establish length correction as a prerequisite for generation-time trajectory analysis and show that reasoning training can be associated with distinct corrected trajectory geometry, with the strength of the effect depending on the domain.

  • 3 authors
·
May 13

Fact-Controlled Diagnosis of Hallucinations in Medical Text Summarization

Hallucinations in large language models (LLMs) during summarization of patient-clinician dialogues pose significant risks to patient care and clinical decision-making. However, the phenomenon remains understudied in the clinical domain, with uncertainty surrounding the applicability of general-domain hallucination detectors. The rarity and randomness of hallucinations further complicate their investigation. In this paper, we conduct an evaluation of hallucination detection methods in the medical domain, and construct two datasets for the purpose: A fact-controlled Leave-N-out dataset -- generated by systematically removing facts from source dialogues to induce hallucinated content in summaries; and a natural hallucination dataset -- arising organically during LLM-based medical summarization. We show that general-domain detectors struggle to detect clinical hallucinations, and that performance on fact-controlled hallucinations does not reliably predict effectiveness on natural hallucinations. We then develop fact-based approaches that count hallucinations, offering explainability not available with existing methods. Notably, our LLM-based detectors, which we developed using fact-controlled hallucinations, generalize well to detecting real-world clinical hallucinations. This research contributes a suite of specialized metrics supported by expert-annotated datasets to advance faithful clinical summarization systems.

  • 12 authors
·
May 31, 2025

MELD: Multi-Task Equilibrated Learning Detector for AI-Generated Text

Large language models are now embedded in everyday writing workflows, making reliable AI-generated text detection important for academic integrity, content moderation, and provenance tracking. In practice, however, a detector must do more than achieve high aggregate AUROC on clean, in-distribution human and AI text: it should remain robust to attacks and adversarial rewrites, transfer to unseen generators and domains, and operate at low false-positive rates (FPR). Most existing detectors optimize a single AI/Human objective, giving the representation little incentive to learn generator, attack, or domain structure once the binary task saturates. We introduce MELD (Multi-Task Equilibrated Learning Detector), a deployable detector for AI-generated text that enriches binary detection with auxiliary supervision. MELD attaches generator-family, attack-type, and source-domain heads to a shared encoder, and balances the four losses with learned homoscedastic uncertainty weights. To improve robustness, an EMA teacher predicts on clean inputs while an attack-augmented student is distilled toward the teacher. MELD further uses a hard-negative pairwise ranking loss to enlarge the score margin between AI-generated texts and the most confusable human texts. At inference, all auxiliary heads are discarded, giving MELD the same interface and cost as a standard detector. On the public RAID leaderboard, MELD is the strongest open-source detector and is competitive with leading commercial models, especially under attack and at low FPR. Across standard held-out benchmarks, MELD matches or outperforms supervised baselines. We further introduce MELD-eval, a held-out evaluation pool built from recent chat models released by four major LLM providers. Without additional finetuning, MELD achieves 99.9% TPR at 1% FPR on MELD-eval, while many baselines degrade sharply.

  • 3 authors
·
May 6

TableSense: Spreadsheet Table Detection with Convolutional Neural Networks

Spreadsheet table detection is the task of detecting all tables on a given sheet and locating their respective ranges. Automatic table detection is a key enabling technique and an initial step in spreadsheet data intelligence. However, the detection task is challenged by the diversity of table structures and table layouts on the spreadsheet. Considering the analogy between a cell matrix as spreadsheet and a pixel matrix as image, and encouraged by the successful application of Convolutional Neural Networks (CNN) in computer vision, we have developed TableSense, a novel end-to-end framework for spreadsheet table detection. First, we devise an effective cell featurization scheme to better leverage the rich information in each cell; second, we develop an enhanced convolutional neural network model for table detection to meet the domain-specific requirement on precise table boundary detection; third, we propose an effective uncertainty metric to guide an active learning based smart sampling algorithm, which enables the efficient build-up of a training dataset with 22,176 tables on 10,220 sheets with broad coverage of diverse table structures and layouts. Our evaluation shows that TableSense is highly effective with 91.3\% recall and 86.5\% precision in EoB-2 metric, a significant improvement over both the current detection algorithm that are used in commodity spreadsheet tools and state-of-the-art convolutional neural networks in computer vision.

  • 5 authors
·
Jun 25, 2021

NeuroDDAF: Neural Dynamic Diffusion-Advection Fields with Evidential Fusion for Air Quality Forecasting

Accurate air quality forecasting is crucial for protecting public health and guiding environmental policy, yet it remains challenging due to nonlinear spatiotemporal dynamics, wind-driven transport, and distribution shifts across regions. Physics-based models are interpretable but computationally expensive and often rely on restrictive assumptions, whereas purely data-driven models can be accurate but may lack robustness and calibrated uncertainty. To address these limitations, we propose Neural Dynamic Diffusion-Advection Fields (NeuroDDAF), a physics-informed forecasting framework that unifies neural representation learning with open-system transport modeling. NeuroDDAF integrates (i) a GRU-Graph Attention encoder to capture temporal dynamics and wind-aware spatial interactions, (ii) a Fourier-domain diffusion-advection module with learnable residuals, (iii) a wind-modulated latent Neural ODE to model continuous-time evolution under time-varying connectivity, and (iv) an evidential fusion mechanism that adaptively combines physics-guided and neural forecasts while quantifying uncertainty. Experiments on four urban datasets (Beijing, Shenzhen, Tianjin, and Ancona) across 1-3 day horizons show that NeuroDDAF consistently outperforms strong baselines, including AirPhyNet, achieving up to 9.7% reduction in RMSE and 9.4% reduction in MAE on long-term forecasts. On the Beijing dataset, NeuroDDAF attains an RMSE of 41.63 μg/m^3 for 1-day prediction and 48.88 μg/m^3 for 3-day prediction, representing the best performance among all compared methods. In addition, NeuroDDAF improves cross-city generalization and yields well-calibrated uncertainty estimates, as confirmed by ensemble variance analysis and case studies under varying wind conditions.

  • 4 authors
·
Mar 31

A Survey of Scientific Large Language Models: From Data Foundations to Agent Frontiers

Scientific Large Language Models (Sci-LLMs) are transforming how knowledge is represented, integrated, and applied in scientific research, yet their progress is shaped by the complex nature of scientific data. This survey presents a comprehensive, data-centric synthesis that reframes the development of Sci-LLMs as a co-evolution between models and their underlying data substrate. We formulate a unified taxonomy of scientific data and a hierarchical model of scientific knowledge, emphasizing the multimodal, cross-scale, and domain-specific challenges that differentiate scientific corpora from general natural language processing datasets. We systematically review recent Sci-LLMs, from general-purpose foundations to specialized models across diverse scientific disciplines, alongside an extensive analysis of over 270 pre-/post-training datasets, showing why Sci-LLMs pose distinct demands -- heterogeneous, multi-scale, uncertainty-laden corpora that require representations preserving domain invariance and enabling cross-modal reasoning. On evaluation, we examine over 190 benchmark datasets and trace a shift from static exams toward process- and discovery-oriented assessments with advanced evaluation protocols. These data-centric analyses highlight persistent issues in scientific data development and discuss emerging solutions involving semi-automated annotation pipelines and expert validation. Finally, we outline a paradigm shift toward closed-loop systems where autonomous agents based on Sci-LLMs actively experiment, validate, and contribute to a living, evolving knowledge base. Collectively, this work provides a roadmap for building trustworthy, continually evolving artificial intelligence (AI) systems that function as a true partner in accelerating scientific discovery.

InternScience Intern Science
·
Aug 28, 2025 4

CUPID: A Plug-in Framework for Joint Aleatoric and Epistemic Uncertainty Estimation with a Single Model

Accurate estimation of uncertainty in deep learning is critical for deploying models in high-stakes domains such as medical diagnosis and autonomous decision-making, where overconfident predictions can lead to harmful outcomes. In practice, understanding the reason behind a model's uncertainty and the type of uncertainty it represents can support risk-aware decisions, enhance user trust, and guide additional data collection. However, many existing methods only address a single type of uncertainty or require modifications and retraining of the base model, making them difficult to adopt in real-world systems. We introduce CUPID (Comprehensive Uncertainty Plug-in estImation moDel), a general-purpose module that jointly estimates aleatoric and epistemic uncertainty without modifying or retraining the base model. CUPID can be flexibly inserted into any layer of a pretrained network. It models aleatoric uncertainty through a learned Bayesian identity mapping and captures epistemic uncertainty by analyzing the model's internal responses to structured perturbations. We evaluate CUPID across a range of tasks, including classification, regression, and out-of-distribution detection. The results show that it consistently delivers competitive performance while offering layer-wise insights into the origins of uncertainty. By making uncertainty estimation modular, interpretable, and model-agnostic, CUPID supports more transparent and trustworthy AI. Related code and data are available at https://github.com/a-Fomalhaut-a/CUPID.

  • 2 authors
·
Mar 10

Look Before You Leap: An Exploratory Study of Uncertainty Measurement for Large Language Models

The recent performance leap of Large Language Models (LLMs) opens up new opportunities across numerous industrial applications and domains. However, erroneous generations, such as false predictions, misinformation, and hallucination made by LLMs, have also raised severe concerns for the trustworthiness of LLMs', especially in safety-, security- and reliability-sensitive scenarios, potentially hindering real-world adoptions. While uncertainty estimation has shown its potential for interpreting the prediction risks made by general machine learning (ML) models, little is known about whether and to what extent it can help explore an LLM's capabilities and counteract its undesired behavior. To bridge the gap, in this paper, we initiate an exploratory study on the risk assessment of LLMs from the lens of uncertainty. In particular, we experiment with twelve uncertainty estimation methods and four LLMs on four prominent natural language processing (NLP) tasks to investigate to what extent uncertainty estimation techniques could help characterize the prediction risks of LLMs. Our findings validate the effectiveness of uncertainty estimation for revealing LLMs' uncertain/non-factual predictions. In addition to general NLP tasks, we extensively conduct experiments with four LLMs for code generation on two datasets. We find that uncertainty estimation can potentially uncover buggy programs generated by LLMs. Insights from our study shed light on future design and development for reliable LLMs, facilitating further research toward enhancing the trustworthiness of LLMs.

  • 7 authors
·
Jul 16, 2023

MAQA: Evaluating Uncertainty Quantification in LLMs Regarding Data Uncertainty

Although large language models (LLMs) are capable of performing various tasks, they still suffer from producing plausible but incorrect responses. To improve the reliability of LLMs, recent research has focused on uncertainty quantification to predict whether a response is correct or not. However, most uncertainty quantification methods have been evaluated on questions requiring a single clear answer, ignoring the existence of data uncertainty that arises from irreducible randomness. Instead, these methods only consider model uncertainty, which arises from a lack of knowledge. In this paper, we investigate previous uncertainty quantification methods under the presence of data uncertainty. Our contributions are two-fold: 1) proposing a new Multi-Answer Question Answering dataset, MAQA, consisting of world knowledge, mathematical reasoning, and commonsense reasoning tasks to evaluate uncertainty quantification regarding data uncertainty, and 2) assessing 5 uncertainty quantification methods of diverse white- and black-box LLMs. Our findings show that entropy and consistency-based methods estimate the model uncertainty well even under data uncertainty, while other methods for white- and black-box LLMs struggle depending on the tasks. Additionally, methods designed for white-box LLMs suffer from overconfidence in reasoning tasks compared to simple knowledge queries. We believe our observations will pave the way for future work on uncertainty quantification in realistic setting.

  • 3 authors
·
Aug 13, 2024

DEUP: Direct Epistemic Uncertainty Prediction

Epistemic Uncertainty is a measure of the lack of knowledge of a learner which diminishes with more evidence. While existing work focuses on using the variance of the Bayesian posterior due to parameter uncertainty as a measure of epistemic uncertainty, we argue that this does not capture the part of lack of knowledge induced by model misspecification. We discuss how the excess risk, which is the gap between the generalization error of a predictor and the Bayes predictor, is a sound measure of epistemic uncertainty which captures the effect of model misspecification. We thus propose a principled framework for directly estimating the excess risk by learning a secondary predictor for the generalization error and subtracting an estimate of aleatoric uncertainty, i.e., intrinsic unpredictability. We discuss the merits of this novel measure of epistemic uncertainty, and highlight how it differs from variance-based measures of epistemic uncertainty and addresses its major pitfall. Our framework, Direct Epistemic Uncertainty Prediction (DEUP) is particularly interesting in interactive learning environments, where the learner is allowed to acquire novel examples in each round. Through a wide set of experiments, we illustrate how existing methods in sequential model optimization can be improved with epistemic uncertainty estimates from DEUP, and how DEUP can be used to drive exploration in reinforcement learning. We also evaluate the quality of uncertainty estimates from DEUP for probabilistic image classification and predicting synergies of drug combinations.

  • 8 authors
·
Feb 16, 2021