Gaussian Process differential equations (GPODE) have recently gained momentum due to their ability to capture dynamics behavior of systems and also represent uncertainty in predictions. Prior work has described the process of training the hyperparameters and, thereby, calibrating GPODE to data. How to design efficient algorithms to collect data for training GPODE models is still an open field of research. Nevertheless high-quality training data is key for model performance. Furthermore, data collection leads to time-cost and financial-cost and might in some areas even be safety critical to the system under test. Therefore, algorithms for safe and efficient data collection are central for building high quality GPODE models. Our novel Safe Active Learning (SAL) for GPODE algorithm addresses this challenge by suggesting a mechanism to propose efficient and non-safety-critical data to collect. SAL GPODE does so by sequentially suggesting new data, measuring it and updating the GPODE model with the new data. In this way, subsequent data points are iteratively suggested. The core of our SAL GPODE algorithm is a constrained optimization problem maximizing information of new data for GPODE model training constrained by the safety of the underlying system. We demonstrate our novel SAL GPODE's superiority compared to a standard, non-active way of measuring new data on two relevant examples.
Training multimodal models requires a large amount of labeled data. Active learning (AL) aim to reduce labeling costs. Most AL methods employ warm-start approaches, which rely on sufficient labeled data to train a well-calibrated model that can assess the uncertainty and diversity of unlabeled data. However, when assembling a dataset, labeled data are often scarce initially, leading to a cold-start problem. Additionally, most AL methods seldom address multimodal data, highlighting a research gap in this field. Our research addresses these issues by developing a two-stage method for Multi-Modal Cold-Start Active Learning (MMCSAL). Firstly, we observe the modality gap, a significant distance between the centroids of representations from different modalities, when only using cross-modal pairing information as self-supervision signals. This modality gap affects data selection process, as we calculate both uni-modal and cross-modal distances. To address this, we introduce uni-modal prototypes to bridge the modality gap. Secondly, conventional AL methods often falter in multimodal scenarios where alignment between modalities is overlooked. Therefore, we propose enhancing cross-modal alignment through regularization, thereby improving the quality of selected multimodal data pairs in AL. Finally, our experiments demonstrate MMCSAL's efficacy in selecting multimodal data pairs across three multimodal datasets.
A popular strategy for active learning is to specifically target a reduction in epistemic uncertainty, since aleatoric uncertainty is often considered as being intrinsic to the system of interest and therefore not reducible. Yet, distinguishing these two types of uncertainty remains challenging and there is no single strategy that consistently outperforms the others. We propose to use a particular combination of probability and possibility theories, with the aim of using the latter to specifically represent epistemic uncertainty, and we show how this combination leads to new active learning strategies that have desirable properties. In order to demonstrate the efficiency of these strategies in non-trivial settings, we introduce the notion of a possibilistic Gaussian process (GP) and consider GP-based multiclass and binary classification problems, for which the proposed methods display a strong performance for both simulated and real datasets.
Automated segmentation of medical images highly depends on the availability of accurate manual image annotations. Such annotations are very time-consuming and costly to generate, and often require specialized expertise, particularly for cross-sectional images which contain many slices for each patient. It is crucial to ensure the best use of annotation resources. In this paper, we systematically answer the question of how to select slices of cross-sectional medical images in order to maximize performance of the resulting deep learning segmentation models. We conducted experiments on 4 medical imaging segmentation tasks with varying annotation budgets, numbers of annotated cases, numbers of annotated slices per volume, slice selection techniques, and mask interpolations. We found that: 1) It is almost always preferable to annotate fewer slices per volume and more volumes given an annotation budget. 2) Selecting slices for annotation by unsupervised active learning (UAL) is not superior to selecting slices randomly or at fixed intervals, provided that each volume is allocated the same number of annotated slices. 3) Interpolating masks between annotated slices rarely enhances model performance, with exceptions of some specific configuration for 3D models.
Machine learning models have exhibited exceptional results in various domains. The most prevalent approach for learning is the empirical risk minimizer (ERM), which adapts the model's weights to reduce the loss on a training set and subsequently leverages these weights to predict the label for new test data. Nonetheless, ERM makes the assumption that the test distribution is similar to the training distribution, which may not always hold in real-world situations. In contrast, the predictive normalized maximum likelihood (pNML) was proposed as a min-max solution for the individual setting where no assumptions are made on the distribution of the tested input. This study investigates pNML's learnability for linear regression and neural networks, and demonstrates that pNML can improve the performance and robustness of these models on various tasks. Moreover, the pNML provides an accurate confidence measure for its output, showcasing state-of-the-art results for out-of-distribution detection, resistance to adversarial attacks, and active learning.
Label distribution learning (LDL) provides a framework wherein a distribution over categories rather than a single category is predicted, with the aim of addressing ambiguity in labeled data. Existing research on LDL mainly focuses on the task of point estimation, i.e., pinpointing an optimal distribution in the probability simplex conditioned on the input sample. In this paper, we estimate a probability distribution of all possible label distributions over the simplex, by unleashing the expressive power of the recently introduced Squared Neural Family (SNEFY). With the modeled distribution, label distribution prediction can be achieved by performing the expectation operation to estimate the mean of the distribution of label distributions. Moreover, more information about the label distribution can be inferred, such as the prediction reliability and uncertainties. We conduct extensive experiments on the label distribution prediction task, showing that our distribution modeling based method can achieve very competitive label distribution prediction performance compared with the state-of-the-art baselines. Additional experiments on active learning and ensemble learning demonstrate that our probabilistic approach can effectively boost the performance in these settings, by accurately estimating the prediction reliability and uncertainties.
The advent of large language models (LLMs) has sparked significant interest in using natural language for preference learning. However, existing methods often suffer from high computational burdens, taxing human supervision, and lack of interpretability. To address these issues, we introduce MAPLE, a framework for large language model-guided Bayesian active preference learning. MAPLE leverages LLMs to model the distribution over preference functions, conditioning it on both natural language feedback and conventional preference learning feedback, such as pairwise trajectory rankings. MAPLE also employs active learning to systematically reduce uncertainty in this distribution and incorporates a language-conditioned active query selection mechanism to identify informative and easy-to-answer queries, thus reducing human burden. We evaluate MAPLE's sample efficiency and preference inference quality across two benchmarks, including a real-world vehicle route planning benchmark using OpenStreetMap data. Our results demonstrate that MAPLE accelerates the learning process and effectively improves humans' ability to answer queries.
Computer simulations have long presented the exciting possibility of scientific insight into complex real-world processes. Despite the power of modern computing, however, it remains challenging to systematically perform inference under simulation models. This has led to the rise of simulation-based inference (SBI), a class of machine learning-enabled techniques for approaching inverse problems with stochastic simulators. Many such methods, however, require large numbers of simulation samples and face difficulty scaling to high-dimensional settings, often making inference prohibitive under resource-intensive simulators. To mitigate these drawbacks, we introduce active sequential neural posterior estimation (ASNPE). ASNPE brings an active learning scheme into the inference loop to estimate the utility of simulation parameter candidates to the underlying probabilistic model. The proposed acquisition scheme is easily integrated into existing posterior estimation pipelines, allowing for improved sample efficiency with low computational overhead. We further demonstrate the effectiveness of the proposed method in the travel demand calibration setting, a high-dimensional inverse problem commonly requiring computationally expensive traffic simulators. Our method outperforms well-tuned benchmarks and state-of-the-art posterior estimation methods on a large-scale real-world traffic network, as well as demonstrates a performance advantage over non-active counterparts on a suite of SBI benchmark environments.
Multi-class semantic segmentation remains a cornerstone challenge in computer vision. Yet, dataset creation remains excessively demanding in time and effort, especially for specialized domains. Active Learning (AL) mitigates this challenge by selecting data points for annotation strategically. However, existing patch-based AL methods often overlook boundary pixels critical information, essential for accurate segmentation. We present OREAL, a novel patch-based AL method designed for multi-class semantic segmentation. OREAL enhances boundary detection by employing maximum aggregation of pixel-wise uncertainty scores. Additionally, we introduce one-vs-rest entropy, a novel uncertainty score function that computes class-wise uncertainties while achieving implicit class balancing during dataset creation. Comprehensive experiments across diverse datasets and model architectures validate our hypothesis.
Multi-object tracking (MOT) is crucial for various multi-agent analyses such as evaluating team sports tactics and player movements and performance. While pedestrian tracking has advanced with Tracking-by-Detection MOT, team sports like basketball pose unique challenges. These challenges include players' unpredictable movements, frequent close interactions, and visual similarities that complicate pose labeling and lead to significant occlusions, frequent ID switches, and high manual annotation costs. To address these challenges, we propose a novel pose-based virtual marker (VM) MOT method for team sports, named Sports-vmTracking. This method builds on the vmTracking approach developed for multi-animal tracking with active learning. First, we constructed a 3x3 basketball pose dataset for VMs and applied active learning to enhance model performance in generating VMs. Then, we overlaid the VMs on video to identify players, extract their poses with unique IDs, and convert these into bounding boxes for comparison with automated MOT methods. Using our 3x3 basketball dataset, we demonstrated that our VM configuration has been highly effective, and reduced the need for manual corrections and labeling during pose model training while maintaining high accuracy. Our approach achieved an average HOTA score of 72.3%, over 10 points higher than other state-of-the-art methods without VM, and resulted in 0 ID switches. Beyond improving performance in handling occlusions and minimizing ID switches, our framework could substantially increase the time and cost efficiency compared to traditional manual annotation.
Vision-language models (VLMs), such as CLIP and SigLIP, have found remarkable success in classification, retrieval, and generative tasks. For this, VLMs deterministically map images and text descriptions to a joint latent space in which their similarity is assessed using the cosine similarity. However, a deterministic mapping of inputs fails to capture uncertainties over concepts arising from domain shifts when used in downstream tasks. In this work, we propose post-hoc uncertainty estimation in VLMs that does not require additional training. Our method leverages a Bayesian posterior approximation over the last layers in VLMs and analytically quantifies uncertainties over cosine similarities. We demonstrate its effectiveness for uncertainty quantification and support set selection in active learning. Compared to baselines, we obtain improved and well-calibrated predictive uncertainties, interpretable uncertainty estimates, and sample-efficient active learning. Our results show promise for safety-critical applications of large-scale models.
Few-Shot Class-Incremental Learning has shown remarkable efficacy in efficient learning new concepts with limited annotations. Nevertheless, the heuristic few-shot annotations may not always cover the most informative samples, which largely restricts the capability of incremental learner. We aim to start from a pool of large-scale unlabeled data and then annotate the most informative samples for incremental learning. Based on this premise, this paper introduces the Active Class-Incremental Learning (ACIL). The objective of ACIL is to select the most informative samples from the unlabeled pool to effectively train an incremental learner, aiming to maximize the performance of the resulting model. Note that vanilla active learning algorithms suffer from class-imbalanced distribution among annotated samples, which restricts the ability of incremental learning. To achieve both class balance and informativeness in chosen samples, we propose Class-Balanced Selection (CBS) strategy. Specifically, we first cluster the features of all unlabeled images into multiple groups. Then for each cluster, we employ greedy selection strategy to ensure that the Gaussian distribution of the sampled features closely matches the Gaussian distribution of all unlabeled features within the cluster. Our CBS can be plugged and played into those CIL methods which are based on pretrained models with prompts tunning technique. Extensive experiments under ACIL protocol across five diverse datasets demonstrate that CBS outperforms both random selection and other SOTA active learning approaches. Code is publicly available at https://github.com/1170300714/CBS.
The efficiency of active learning (AL) approaches to identify materials with desired properties relies on the knowledge of a few parameters describing the property. However, these parameters are unknown if the property is governed by a high intricacy of many atomistic processes. Here, we develop an AL workflow based on the sure-independence screening and sparsifying operator (SISSO) symbolic-regression approach. SISSO identifies the few, key parameters correlated with a given materials property via analytical expressions, out of many offered primary features. Crucially, we train ensembles of SISSO models in order to quantify mean predictions and their uncertainty, enabling the use of SISSO in AL. By combining bootstrap sampling to obtain training datasets with Monte-Carlo feature dropout, the high prediction errors observed by a single SISSO model are improved. Besides, the feature dropout procedure alleviates the overconfidence issues observed in the widely used bagging approach. We demonstrate the SISSO-guided AL workflow by identifying acid-stable oxides for water splitting using high-quality DFT-HSE06 calculations. From a pool of 1470 materials, 12 acid-stable materials are identified in only 30 AL iterations. The materials property maps provided by SISSO along with the uncertainty estimates reduce the risk of missing promising portions of the materials space that were overlooked in the initial, possibly biased dataset.
Privacy-Preserving Record linkage (PPRL) is an essential component in data integration tasks of sensitive information. The linkage quality determines the usability of combined datasets and (machine learning) applications based on them. We present a novel privacy-preserving protocol that integrates clerical review in PPRL using a multi-layer active learning process. Uncertain match candidates are reviewed on several layers by human and non-human oracles to reduce the amount of disclosed information per record and in total. Predictions are propagated back to update previous layers, resulting in an improved linkage performance for non-reviewed candidates as well. The data owners remain in control of the amount of information they share for each record. Therefore, our approach follows need-to-know and data sovereignty principles. The experimental evaluation on real-world datasets shows considerable linkage quality improvements with limited labeling effort and privacy risks.
Constructing datasets representative of the target domain is essential for training effective machine learning models. Active learning (AL) is a promising method that iteratively extends training data to enhance model performance while minimizing data acquisition costs. However, current AL workflows often require human intervention and lack parallelism, leading to inefficiencies and underutilization of modern computational resources. In this work, we introduce PAL, an automated, modular, and parallel active learning library that integrates AL tasks and manages their execution and communication on shared- and distributed-memory systems using the Message Passing Interface (MPI). PAL provides users with the flexibility to design and customize all components of their active learning scenarios, including machine learning models with uncertainty estimation, oracles for ground truth labeling, and strategies for exploring the target space. We demonstrate that PAL significantly reduces computational overhead and improves scalability, achieving substantial speed-ups through asynchronous parallelization on CPU and GPU hardware. Applications of PAL to several real-world scenarios - including ground-state reactions in biomolecular systems, excited-state dynamics of molecules, simulations of inorganic clusters, and thermo-fluid dynamics - illustrate its effectiveness in accelerating the development of machine learning models. Our results show that PAL enables efficient utilization of high-performance computing resources in active learning workflows, fostering advancements in scientific research and engineering applications.
Emotion recognition is a critical component of affective computing. Training accurate machine learning models for emotion recognition typically requires a large amount of labeled data. Due to the subtleness and complexity of emotions, multiple evaluators are usually needed for each affective sample to obtain its ground-truth label, which is expensive. To save the labeling cost, this paper proposes an inconsistency-based active learning approach for cross-task transfer between emotion classification and estimation. Affective norms are utilized as prior knowledge to connect the label spaces of categorical and dimensional emotions. Then, the prediction inconsistency on the two tasks for the unlabeled samples is used to guide sample selection in active learning for the target task. Experiments on within-corpus and cross-corpus transfers demonstrated that cross-task inconsistency could be a very valuable metric in active learning. To our knowledge, this is the first work that utilizes prior knowledge on affective norms and data in a different task to facilitate active learning for a new task, even the two tasks are from different datasets.
Recent advances in techniques for monitoring and perturbing neural populations have greatly enhanced our ability to study circuits in the brain. In particular, two-photon holographic optogenetics now enables precise photostimulation of experimenter-specified groups of individual neurons, while simultaneous two-photon calcium imaging enables the measurement of ongoing and induced activity across the neural population. Despite the enormous space of potential photostimulation patterns and the time-consuming nature of photostimulation experiments, very little algorithmic work has been done to determine the most effective photostimulation patterns for identifying the neural population dynamics. Here, we develop methods to efficiently select which neurons to stimulate such that the resulting neural responses will best inform a dynamical model of the neural population activity. Using neural population responses to photostimulation in mouse motor cortex, we demonstrate the efficacy of a low-rank linear dynamical systems model, and develop an active learning procedure which takes advantage of low-rank structure to determine informative photostimulation patterns. We demonstrate our approach on both real and synthetic data, obtaining in some cases as much as a two-fold reduction in the amount of data required to reach a given predictive power. Our active stimulation design method is based on a novel active learning procedure for low-rank regression, which may be of independent interest.
Active Learning (AL) is a user-interactive approach aimed at reducing annotation costs by selecting the most crucial examples to label. Although AL has been extensively studied for image classification tasks, the specific scenario of interactive image retrieval has received relatively little attention. This scenario presents unique characteristics, including an open-set and class-imbalanced binary classification, starting with very few labeled samples. We introduce a novel batch-mode Active Learning framework named GAL (Greedy Active Learning) that better copes with this application. It incorporates a new acquisition function for sample selection that measures the impact of each unlabeled sample on the classifier. We further embed this strategy in a greedy selection approach, better exploiting the samples within each batch. We evaluate our framework with both linear (SVM) and non-linear MLP/Gaussian Process classifiers. For the Gaussian Process case, we show a theoretical guarantee on the greedy approximation. Finally, we assess our performance for the interactive content-based image retrieval task on several benchmarks and demonstrate its superiority over existing approaches and common baselines. Code is available at https://github.com/barleah/GreedyAL.
In self-supervised robotic learning, agents acquire data through active interaction with their environment, incurring costs such as energy use, human oversight, and experimental time. To mitigate these, sample-efficient exploration is essential. While intrinsic motivation (IM) methods like learning progress (LP) are widely used in robotics, and active learning (AL) is well established for classification in machine learning, few frameworks address continuous, high-dimensional regression tasks typical of world model learning. We propose MUSEL (Model Uncertainty for Sample-Efficient Learning), a novel AL framework tailored for regression tasks in robotics, such as action-effect prediction. MUSEL introduces a model uncertainty metric that combines total predictive uncertainty, learning progress, and input diversity to guide data acquisition. We validate our approach using a Stochastic Variational Deep Kernel Learning (SVDKL) model in two robotic tabletop tasks. Experimental results demonstrate that MUSEL improves both learning accuracy and sample efficiency, validating its effectiveness in learning action effects and selecting informative samples.
In this paper, we propose a neural window decoder (NWD) for spatially coupled low-density parity-check (SC-LDPC) codes. The proposed NWD retains the conventional window decoder (WD) process but incorporates trainable neural weights. To train the weights of NWD, we introduce two novel training strategies. First, we restrict the loss function to target variable nodes (VNs) of the window, which prunes the neural network and accordingly enhances training efficiency. Second, we employ the active learning technique with a normalized loss term to prevent the training process from biasing toward specific training regions. Next, we develop a systematic method to derive non-uniform schedules for the NWD based on the training results. We introduce trainable damping factors that reflect the relative importance of check node (CN) updates. By skipping updates with less importance, we can omit $\mathbf{41\%}$ of CN updates without performance degradation compared to the conventional WD. Lastly, we address the error propagation problem inherent in SC-LDPC codes by deploying a complementary weight set, which is activated when an error is detected in the previous window. This adaptive decoding strategy effectively mitigates error propagation without requiring modifications to the code and decoder structures.