Recently, large-scale language-image generative models have gained widespread attention and many works have utilized generated data from these models to further enhance the performance of perception tasks. However, not all generated data can positively impact downstream models, and these methods do not thoroughly explore how to better select and utilize generated data. On the other hand, there is still a lack of research oriented towards active learning on generated data. In this paper, we explore how to perform active learning specifically for generated data in the long-tailed instance segmentation task. Subsequently, we propose BSGAL, a new algorithm that online estimates the contribution of the generated data based on gradient cache. BSGAL can handle unlimited generated data and complex downstream segmentation tasks effectively. Experiments show that BSGAL outperforms the baseline approach and effectually improves the performance of long-tailed segmentation. Our code can be found at https://github.com/aim-uofa/DiverGen.
Existing test-time adaptation (TTA) approaches often adapt models with the unlabeled testing data stream. A recent attempt relaxed the assumption by introducing limited human annotation, referred to as Human-In-the-Loop Test-Time Adaptation (HILTTA) in this study. The focus of existing HILTTA studies lies in selecting the most informative samples to label, a.k.a. active learning. In this work, we are motivated by a pitfall of TTA, i.e. sensitivity to hyper-parameters, and propose to approach HILTTA by synergizing active learning and model selection. Specifically, we first select samples for human annotation (active learning) and then use the labeled data to select optimal hyper-parameters (model selection). To prevent the model selection process from overfitting to local distributions, multiple regularization techniques are employed to complement the validation objective. A sample selection strategy is further tailored by considering the balance between active learning and model selection purposes. We demonstrate on 5 TTA datasets that the proposed HILTTA approach is compatible with off-the-shelf TTA methods and such combinations substantially outperform the state-of-the-art HILTTA methods. Importantly, our proposed method can always prevent choosing the worst hyper-parameters on all off-the-shelf TTA methods. The source code is available at https://github.com/Yushu-Li/HILTTA.
When solving decision and optimisation problems, many competing algorithms (model and solver choices) have complementary strengths. Typically, there is no single algorithm that works well for all instances of a problem. Automated algorithm selection has been shown to work very well for choosing a suitable algorithm for a given instance. However, the cost of training can be prohibitively large due to running candidate algorithms on a representative set of training instances. In this work, we explore reducing this cost by choosing a subset of the training instances on which to train. We approach this problem in three ways: using active learning to decide based on prediction uncertainty, augmenting the algorithm predictors with a timeout predictor, and collecting training data using a progressively increasing timeout. We evaluate combinations of these approaches on six datasets from ASLib and present the reduction in labelling cost achieved by each option.
Active learning optimizes the exploration of large parameter spaces by strategically selecting which experiments or simulations to conduct, thus reducing resource consumption and potentially accelerating scientific discovery. A key component of this approach is a probabilistic surrogate model, typically a Gaussian Process (GP), which approximates an unknown functional relationship between control parameters and a target property. However, conventional GPs often struggle when applied to systems with discontinuities and non-stationarities, prompting the exploration of alternative models. This limitation becomes particularly relevant in physical science problems, which are often characterized by abrupt transitions between different system states and rapid changes in physical property behavior. Fully Bayesian Neural Networks (FBNNs) serve as a promising substitute, treating all neural network weights probabilistically and leveraging advanced Markov Chain Monte Carlo techniques for direct sampling from the posterior distribution. This approach enables FBNNs to provide reliable predictive distributions, crucial for making informed decisions under uncertainty in the active learning setting. Although traditionally considered too computationally expensive for 'big data' applications, many physical sciences problems involve small amounts of data in relatively low-dimensional parameter spaces. Here, we assess the suitability and performance of FBNNs with the No-U-Turn Sampler for active learning tasks in the 'small data' regime, highlighting their potential to enhance predictive accuracy and reliability on test functions relevant to problems in physical sciences.
Reasoning about hypotheses and updating knowledge through empirical observations are central to scientific discovery. In this work, we applied logic-based machine learning methods to drive biological discovery by guiding experimentation. Genome-scale metabolic network models (GEMs) - comprehensive representations of metabolic genes and reactions - are widely used to evaluate genetic engineering of biological systems. However, GEMs often fail to accurately predict the behaviour of genetically engineered cells, primarily due to incomplete annotations of gene interactions. The task of learning the intricate genetic interactions within GEMs presents computational and empirical challenges. To efficiently predict using GEM, we describe a novel approach called Boolean Matrix Logic Programming (BMLP) by leveraging Boolean matrices to evaluate large logic programs. We developed a new system, $BMLP_{active}$, which guides cost-effective experimentation and uses interpretable logic programs to encode a state-of-the-art GEM of a model bacterial organism. Notably, $BMLP_{active}$ successfully learned the interaction between a gene pair with fewer training examples than random experimentation, overcoming the increase in experimental design space. $BMLP_{active}$ enables rapid optimisation of metabolic models to reliably engineer biological systems for producing useful compounds. It offers a realistic approach to creating a self-driving lab for biological discovery, which would then facilitate microbial engineering for practical applications.
As artificial intelligence (AI) / machine learning (ML) gain widespread adoption, practitioners are increasingly seeking means to quantify and control the risk these systems incur. This challenge is especially salient when such systems have autonomy to collect their own data, such as in black-box optimization and active learning, where their actions induce sequential feedback-loop shifts in the data distribution. Conformal prediction is a promising approach to uncertainty and risk quantification, but prior variants' validity guarantees have assumed some form of ``quasi-exchangeability'' on the data distribution, thereby excluding many types of sequential shifts. In this paper we prove that conformal prediction can theoretically be extended to \textit{any} joint data distribution, not just exchangeable or quasi-exchangeable ones. Although the most general case is exceedingly impractical to compute, for concrete practical applications we outline a procedure for deriving specific conformal algorithms for any data distribution, and we use this procedure to derive tractable algorithms for a series of AI/ML-agent-induced covariate shifts. We evaluate the proposed algorithms empirically on synthetic black-box optimization and active learning tasks.
Learning an ordering of items based on pairwise comparisons is useful when items are difficult to rate consistently on an absolute scale, for example, when annotators have to make subjective assessments. When exhaustive comparison is infeasible, actively sampling item pairs can reduce the number of annotations necessary for learning an accurate ordering. However, many algorithms ignore shared structure between items, limiting their sample efficiency and precluding generalization to new items. It is also common to disregard how noise in comparisons varies between item pairs, despite it being informative of item similarity. In this work, we study active preference learning for ordering items with contextual attributes, both in- and out-of-sample. We give an upper bound on the expected ordering error of a logistic preference model as a function of which items have been compared. Next, we propose an active learning strategy that samples items to minimize this bound by accounting for aleatoric and epistemic uncertainty in comparisons. We evaluate the resulting algorithm, and a variant aimed at reducing model misspecification, in multiple realistic ordering tasks with comparisons made by human annotators. Our results demonstrate superior sample efficiency and generalization compared to non-contextual ranking approaches and active preference learning baselines.
Active learning is considered a viable solution to alleviate the contradiction between the high dependency of deep learning-based segmentation methods on annotated data and the expensive pixel-level annotation cost of medical images. However, most existing methods suffer from unreliable uncertainty assessment and the struggle to balance diversity and informativeness, leading to poor performance in segmentation tasks. In response, we propose an efficient Predictive Accuracy-based Active Learning (PAAL) method for medical image segmentation, first introducing predictive accuracy to define uncertainty. Specifically, PAAL mainly consists of an Accuracy Predictor (AP) and a Weighted Polling Strategy (WPS). The former is an attached learnable module that can accurately predict the segmentation accuracy of unlabeled samples relative to the target model with the predicted posterior probability. The latter provides an efficient hybrid querying scheme by combining predicted accuracy and feature representation, aiming to ensure the uncertainty and diversity of the acquired samples. Extensive experiment results on multiple datasets demonstrate the superiority of PAAL. PAAL achieves comparable accuracy to fully annotated data while reducing annotation costs by approximately 50% to 80%, showcasing significant potential in clinical applications. The code is available at https://github.com/shijun18/PAAL-MedSeg.
[Abridged Abstract] Recent technological advances underscore labor market dynamics, yielding significant consequences for employment prospects and increasing job vacancy data across platforms and languages. Aggregating such data holds potential for valuable insights into labor market demands, new skills emergence, and facilitating job matching for various stakeholders. However, despite prevalent insights in the private sector, transparent language technology systems and data for this domain are lacking. This thesis investigates Natural Language Processing (NLP) technology for extracting relevant information from job descriptions, identifying challenges including scarcity of training data, lack of standardized annotation guidelines, and shortage of effective extraction methods from job ads. We frame the problem, obtaining annotated data, and introducing extraction methodologies. Our contributions include job description datasets, a de-identification dataset, and a novel active learning algorithm for efficient model training. We propose skill extraction using weak supervision, a taxonomy-aware pre-training methodology adapting multilingual language models to the job market domain, and a retrieval-augmented model leveraging multiple skill extraction datasets to enhance overall performance. Finally, we ground extracted information within a designated taxonomy.
Fully supervised models are predominant in Bayesian active learning. We argue that their neglect of the information present in unlabelled data harms not just predictive performance but also decisions about what data to acquire. Our proposed solution is a simple framework for semi-supervised Bayesian active learning. We find it produces better-performing models than either conventional Bayesian active learning or semi-supervised learning with randomly acquired data. It is also easier to scale up than the conventional approach. As well as supporting a shift towards semi-supervised models, our findings highlight the importance of studying models and acquisition methods in conjunction.
Active Learning (AL) addresses the high costs of collecting human annotations by strategically annotating the most informative samples. However, for subjective NLP tasks, incorporating a wide range of perspectives in the annotation process is crucial to capture the variability in human judgments. We introduce Annotator-Centric Active Learning (ACAL), which incorporates an annotator selection strategy following data sampling. Our objective is two-fold: 1) to efficiently approximate the full diversity of human judgments, and 2) to assess model performance using annotator-centric metrics, which value minority and majority perspectives equally. We experiment with multiple annotator selection strategies across seven subjective NLP tasks, employing both traditional and novel, human-centered evaluation metrics. Our findings indicate that ACAL improves data efficiency and excels in annotator-centric performance evaluations. However, its success depends on the availability of a sufficiently large and diverse pool of annotators to sample from.
Outlier detection in high-dimensional tabular data is an important task in data mining, essential for many downstream tasks and applications. Existing unsupervised outlier detection algorithms face one or more problems, including inlier assumption (IA), curse of dimensionality (CD), and multiple views (MV). To address these issues, we introduce Generative Subspace Adversarial Active Learning (GSAAL), a novel approach that uses a Generative Adversarial Network with multiple adversaries. These adversaries learn the marginal class probability functions over different data subspaces, while a single generator in the full space models the entire distribution of the inlier class. GSAAL is specifically designed to address the MV limitation while also handling the IA and CD, being the only method to do so. We provide a comprehensive mathematical formulation of MV, convergence guarantees for the discriminators, and scalability results for GSAAL. Our extensive experiments demonstrate the effectiveness and scalability of GSAAL, highlighting its superior performance compared to other popular OD methods, especially in MV scenarios.
Scientific advancement is universally based on the dynamic interplay between theoretical insights, modelling, and experimental discoveries. However, this feedback loop is often slow, including delayed community interactions and the gradual integration of experimental data into theoretical frameworks. This challenge is particularly exacerbated in domains dealing with high-dimensional object spaces, such as molecules and complex microstructures. Hence, the integration of theory within automated and autonomous experimental setups, or theory in the loop automated experiment, is emerging as a crucial objective for accelerating scientific research. The critical aspect is not only to use theory but also on-the-fly theory updates during the experiment. Here, we introduce a method for integrating theory into the loop through Bayesian co-navigation of theoretical model space and experimentation. Our approach leverages the concurrent development of surrogate models for both simulation and experimental domains at the rates determined by latencies and costs of experiments and computation, alongside the adjustment of control parameters within theoretical models to minimize epistemic uncertainty over the experimental object spaces. This methodology facilitates the creation of digital twins of material structures, encompassing both the surrogate model of behavior that includes the correlative part and the theoretical model itself. While demonstrated here within the context of functional responses in ferroelectric materials, our approach holds promise for broader applications, the exploration of optical properties in nanoclusters, microstructure-dependent properties in complex materials, and properties of molecular systems. The analysis code that supports the funding is publicly available at https://github.com/Slautin/2024_Co-navigation/tree/main
Object detection is crucial for ensuring safe autonomous driving. However, data-driven approaches face challenges when encountering minority or novel objects in the 3D driving scene. In this paper, we propose VisLED, a language-driven active learning framework for diverse open-set 3D Object Detection. Our method leverages active learning techniques to query diverse and informative data samples from an unlabeled pool, enhancing the model's ability to detect underrepresented or novel objects. Specifically, we introduce the Vision-Language Embedding Diversity Querying (VisLED-Querying) algorithm, which operates in both open-world exploring and closed-world mining settings. In open-world exploring, VisLED-Querying selects data points most novel relative to existing data, while in closed-world mining, it mines novel instances of known classes. We evaluate our approach on the nuScenes dataset and demonstrate its efficiency compared to random sampling and entropy-querying methods. Our results show that VisLED-Querying consistently outperforms random sampling and offers competitive performance compared to entropy-querying despite the latter's model-optimality, highlighting the potential of VisLED for improving object detection in autonomous driving scenarios. We make our code publicly available at https://github.com/Bjork-crypto/VisLED-Querying
An accurate description of information is relevant for a range of problems in atomistic machine learning (ML), such as crafting training sets, performing uncertainty quantification (UQ), or extracting physical insights from large datasets. However, atomistic ML often relies on unsupervised learning or model predictions to analyze information contents from simulation or training data. Here, we introduce a theoretical framework that provides a rigorous, model-free tool to quantify information contents in atomistic simulations. We demonstrate that the information entropy of a distribution of atom-centered environments explains known heuristics in ML potential developments, from training set sizes to dataset optimality. Using this tool, we propose a model-free UQ method that reliably predicts epistemic uncertainty and detects out-of-distribution samples, including rare events in systems such as nucleation. This method provides a general tool for data-driven atomistic modeling and combines efforts in ML, simulations, and physical explainability.
Quantum chemical simulations can be greatly accelerated by constructing machine learning potentials, which is often done using active learning (AL). The usefulness of the constructed potentials is often limited by the high effort required and their insufficient robustness in the simulations. Here we introduce the end-to-end AL for constructing robust data-efficient potentials with affordable investment of time and resources and minimum human interference. Our AL protocol is based on the physics-informed sampling of training points, automatic selection of initial data, uncertainty quantification, and convergence monitoring. The versatility of this protocol is shown in our implementation of quasi-classical molecular dynamics for simulating vibrational spectra, conformer search of a key biochemical molecule, and time-resolved mechanism of the Diels-Alder reactions. These investigations took us days instead of weeks of pure quantum chemical calculations on a high-performance computing cluster. The code in MLatom and tutorials are available at https://github.com/dralgroup/mlatom.
Deep active learning (AL) seeks to minimize the annotation costs for training deep neural networks. BAIT, a recently proposed AL strategy based on the Fisher Information, has demonstrated impressive performance across various datasets. However, BAIT's high computational and memory requirements hinder its applicability on large-scale classification tasks, resulting in current research neglecting BAIT in their evaluation. This paper introduces two methods to enhance BAIT's computational efficiency and scalability. Notably, we significantly reduce its time complexity by approximating the Fisher Information. In particular, we adapt the original formulation by i) taking the expectation over the most probable classes, and ii) constructing a binary classification task, leading to an alternative likelihood for gradient computations. Consequently, this allows the efficient use of BAIT on large-scale datasets, including ImageNet. Our unified and comprehensive evaluation across a variety of datasets demonstrates that our approximations achieve strong performance with considerably reduced time complexity. Furthermore, we provide an extensive open-source toolbox that implements recent state-of-the-art AL strategies, available at https://github.com/dhuseljic/dal-toolbox.
Active learning for imbalanced classification tasks is challenging as the minority classes naturally occur rarely. Gathering a large pool of unlabelled data is thus essential to capture minority instances. Standard pool-based active learning is computationally expensive on large pools and often reaches low accuracy by overfitting the initial decision boundary, thus failing to explore the input space and find minority instances. To address these issues we propose AnchorAL. At each iteration, AnchorAL chooses class-specific instances from the labelled set, or anchors, and retrieves the most similar unlabelled instances from the pool. This resulting subpool is then used for active learning. Using a small, fixed-sized subpool AnchorAL allows scaling any active learning strategy to large pools. By dynamically selecting different anchors at each iteration it promotes class balance and prevents overfitting the initial decision boundary, thus promoting the discovery of new clusters of minority instances. In experiments across different classification tasks, active learning strategies, and model architectures AnchorAL is (i) faster, often reducing runtime from hours to minutes, (ii) trains more performant models, (iii) and returns more balanced datasets than competing methods.
The development of large language models (LLMs) has brought unprecedented possibilities for artificial intelligence (AI) based medical diagnosis. However, the application perspective of LLMs in real diagnostic scenarios is still unclear because they are not adept at collecting patient data proactively. This study presents a LLM-based diagnostic system that enhances planning capabilities by emulating doctors. Our system involves two external planners to handle planning tasks. The first planner employs a reinforcement learning approach to formulate disease screening questions and conduct initial diagnoses. The second planner uses LLMs to parse medical guidelines and conduct differential diagnoses. By utilizing real patient electronic medical record data, we constructed simulated dialogues between virtual patients and doctors and evaluated the diagnostic abilities of our system. We demonstrated that our system obtained impressive performance in both disease screening and differential diagnoses tasks. This research represents a step towards more seamlessly integrating AI into clinical settings, potentially enhancing the accuracy and accessibility of medical diagnostics.
Test-time adaptation (TTA) addresses distribution shifts for streaming test data in unsupervised settings. Currently, most TTA methods can only deal with minor shifts and rely heavily on heuristic and empirical studies. To advance TTA under domain shifts, we propose the novel problem setting of active test-time adaptation (ATTA) that integrates active learning within the fully TTA setting. We provide a learning theory analysis, demonstrating that incorporating limited labeled test instances enhances overall performances across test domains with a theoretical guarantee. We also present a sample entropy balancing for implementing ATTA while avoiding catastrophic forgetting (CF). We introduce a simple yet effective ATTA algorithm, known as SimATTA, using real-time sample selection techniques. Extensive experimental results confirm consistency with our theoretical analyses and show that the proposed ATTA method yields substantial performance improvements over TTA methods while maintaining efficiency and shares similar effectiveness to the more demanding active domain adaptation (ADA) methods. Our code is available at https://github.com/divelab/ATTA