In computational physics, machine learning has now emerged as a powerful complementary tool to explore efficiently candidate designs in engineering studies. Outputs in such supervised problems are signals defined on meshes, and a natural question is the extension of general scalar output regression models to such complex outputs. Changes between input geometries in terms of both size and adjacency structure in particular make this transition non-trivial. In this work, we propose an innovative strategy for Gaussian process regression where inputs are large and sparse graphs with continuous node attributes and outputs are signals defined on the nodes of the associated inputs. The methodology relies on the combination of regularized optimal transport, dimension reduction techniques, and the use of Gaussian processes indexed by graphs. In addition to enabling signal prediction, the main point of our proposal is to come with confidence intervals on node values, which is crucial for uncertainty quantification and active learning. Numerical experiments highlight the efficiency of the method to solve real problems in fluid dynamics and solid mechanics.
Active learning (AL) is for optimizing the selection of unlabeled data for annotation (labeling), aiming to enhance model performance while minimizing labeling effort. The key question in AL is which unlabeled data should be selected for annotation. Existing deep AL methods arguably suffer from bias incurred by clabeled data, which takes a much lower percentage than unlabeled data in AL context. We observe that such an issue is severe in different types of data, such as vision and non-vision data. To address this issue, we propose a novel method, namely Manifold-Preserving Trajectory Sampling (MPTS), aiming to enforce the feature space learned from labeled data to represent a more accurate manifold. By doing so, we expect to effectively correct the bias incurred by labeled data, which can cause a biased selection of unlabeled data. Despite its focus on manifold, the proposed method can be conveniently implemented by performing distribution mapping with MMD (Maximum Mean Discrepancies). Extensive experiments on various vision and non-vision benchmark datasets demonstrate the superiority of our method. Our source code can be found here.
When assisting people in daily tasks, robots need to accurately interpret visual cues and respond effectively in diverse safety-critical situations, such as sharp objects on the floor. In this context, we present M-CoDAL, a multimodal-dialogue system specifically designed for embodied agents to better understand and communicate in safety-critical situations. The system leverages discourse coherence relations to enhance its contextual understanding and communication abilities. To train this system, we introduce a novel clustering-based active learning mechanism that utilizes an external Large Language Model (LLM) to identify informative instances. Our approach is evaluated using a newly created multimodal dataset comprising 1K safety violations extracted from 2K Reddit images. These violations are annotated using a Large Multimodal Model (LMM) and verified by human annotators. Results with this dataset demonstrate that our approach improves resolution of safety situations, user sentiment, as well as safety of the conversation. Next, we deploy our dialogue system on a Hello Robot Stretch robot and conduct a within-subject user study with real-world participants. In the study, participants role-play two safety scenarios with different levels of severity with the robot and receive interventions from our model and a baseline system powered by OpenAI's ChatGPT. The study results corroborate and extend the findings from the automated evaluation, showing that our proposed system is more persuasive in a real-world embodied agent setting.
Ensuring that Large Language Models (LLMs) generate text representative of diverse sub-populations is essential, particularly when key concepts related to under-represented groups are scarce in the training data. We address this challenge with a novel clustering-based active learning framework, enhanced with knowledge distillation. The proposed framework transforms the intermediate outputs of the learner model, enabling effective active learning for generative tasks for the first time. Integration of clustering and knowledge distillation yields more representative models without prior knowledge of underlying data distribution and overbearing human efforts. We validate our approach in practice through case studies in counter-narration and style transfer. We construct two new datasets in tandem with model training, showing a performance improvement of 2%-10% over baseline models. Our results also show more consistent performance across various data subgroups and increased lexical diversity, underscoring our model's resilience to skewness in available data. Further, our results show that the data acquired via our approach improves the performance of secondary models not involved in the learning loop, showcasing practical utility of the framework.
As deep learning continues to evolve, the need for data efficiency becomes increasingly important. Considering labeling large datasets is both time-consuming and expensive, active learning (AL) provides a promising solution to this challenge by iteratively selecting the most informative subsets of examples to train deep neural networks, thereby reducing the labeling cost. However, the effectiveness of different AL algorithms can vary significantly across data scenarios, and determining which AL algorithm best fits a given task remains a challenging problem. This work presents the first differentiable AL strategy search method, named AutoAL, which is designed on top of existing AL sampling strategies. AutoAL consists of two neural nets, named SearchNet and FitNet, which are optimized concurrently under a differentiable bi-level optimization framework. For any given task, SearchNet and FitNet are iteratively co-optimized using the labeled data, learning how well a set of candidate AL algorithms perform on that task. With the optimal AL strategies identified, SearchNet selects a small subset from the unlabeled pool for querying their annotations, enabling efficient training of the task model. Experimental results demonstrate that AutoAL consistently achieves superior accuracy compared to all candidate AL algorithms and other selective AL approaches, showcasing its potential for adapting and integrating multiple existing AL methods across diverse tasks and domains. Code is available at: https://github.com/haizailache999/AutoAL.
Automated vehicles rely on an accurate and robust perception of the environment. Similarly to automated cars, highly automated trains require an environmental perception. Although there is a lot of research based on either camera or LiDAR sensors in the automotive domain, very few contributions for this task exist yet for automated trains. Additionally, no public dataset or described approach for a 3D LiDAR semantic segmentation in the railway environment exists yet. Thus, we propose an approach for a point-wise 3D semantic segmentation based on the 2DPass network architecture using scans and images jointly. In addition, we present a semi-automated intelligent data annotation approach, which we use to efficiently and accurately label the required dataset recorded on a railway track in Germany. To improve performance despite a still small number of labeled scans, we apply an active learning approach to intelligently select scans for the training dataset. Our contributions are threefold: We annotate rail data including camera and LiDAR data from the railway environment, transfer label the raw LiDAR point clouds using an image segmentation network, and train a state-of-the-art 3D LiDAR semantic segmentation network efficiently leveraging active learning. The trained network achieves good segmentation results with a mean IoU of 71.48% of 9 classes.
The success of current Entity Alignment (EA) task depends largely on the supervision information provided by labeled data. Considering the cost of labeled data, most supervised methods are difficult to apply in practical scenarios. Therefore, more and more works based on contrastive learning, active learning or other deep learning techniques have been developed, to solve the performance bottleneck caused by the lack of labeled data. However, the existing unsupervised EA methods still have some limitations, either their modeling complexity is high or they cannot balance the effectiveness and practicality of alignment. To overcome these issues, we propose a Simplifying and Learnable graph convolutional attention network for Unsupervised Knowledge Graphs alignment method (SLU). Specifically, we first introduce LCAT, a new and simple framework as the backbone network to model the graph structure of two KGs. Then we design a reconstruction method of relation structure based on potential matching relations for efficiently filtering invalid neighborhood information of aligned entities, to improve the usability and scalability of SLU. Impressively, a similarity function based on consistency is proposed to better measure the similarity of candidate entity pairs. Finally, we conduct extensive experiments on three datasets of different sizes (15K and 100K) and different types (cross-lingual and monolingual) to verify the superiority of SLU. Experimental results show that SLU significantly improves alignment accuracy, outperforming 25 supervised or unsupervised methods, and improving 6.4% in Hits@1 over the best baseline in the best case.
Ensuring robust safety measures across a wide range of scenarios is crucial for user-facing systems. While Large Language Models (LLMs) can generate valuable data for safety measures, they often exhibit distributional biases, focusing on common scenarios and neglecting rare but critical cases. This can undermine the effectiveness of safety protocols developed using such data. To address this, we propose a novel framework that integrates active learning with clustering to guide LLM generation, enhancing their representativeness and robustness in safety scenarios. We demonstrate the effectiveness of our approach by constructing a dataset of 5.4K potential safety violations through an iterative process involving LLM generation and an active learner model's feedback. Our results show that the proposed framework produces a more representative set of safety scenarios without requiring prior knowledge of the underlying data distribution. Additionally, data acquired through our method improves the accuracy and F1 score of both the active learner model as well models outside the scope of active learning process, highlighting its broad applicability.
Current generative models for drug discovery primarily use molecular docking as an oracle to guide the generation of active compounds. However, such models are often not useful in practice because even compounds with high docking scores do not consistently show real-world experimental activity. More accurate methods for activity prediction exist, such as molecular dynamics based binding free energy calculations, but they are too computationally expensive to use in a generative model. To address this challenge, we propose Multi-Fidelity Latent space Active Learning (MF-LAL), a generative modeling framework that integrates a set of oracles with varying cost-accuracy tradeoffs. Using active learning, we train a surrogate model for each oracle and use these surrogates to guide generation of compounds with high predicted activity. Unlike previous approaches that separately learn the surrogate model and generative model, MF-LAL combines the generative and multi-fidelity surrogate models into a single framework, allowing for more accurate activity prediction and higher quality samples. Our experiments on two disease-relevant proteins show that MF-LAL produces compounds with significantly better binding free energy scores than other single and multi-fidelity approaches (~50% improvement in mean binding free energy score). The code is available at https://github.com/Rose-STL-Lab/MF-LAL.
Active Learning aims to minimize annotation effort by selecting the most useful instances from a pool of unlabeled data. However, typical active learning methods overlook the presence of distinct example groups within a class, whose prevalence may vary, e.g., in occupation classification datasets certain demographics are disproportionately represented in specific classes. This oversight causes models to rely on shortcuts for predictions, i.e., spurious correlations between input attributes and labels occurring in well-represented groups. To address this issue, we propose Active Learning Via INterpolation (ALVIN), which conducts intra-class interpolations between examples from under-represented and well-represented groups to create anchors, i.e., artificial points situated between the example groups in the representation space. By selecting instances close to the anchors for annotation, ALVIN identifies informative examples exposing the model to regions of the representation space that counteract the influence of shortcuts. Crucially, since the model considers these examples to be of high certainty, they are likely to be ignored by typical active learning methods. Experimental results on six datasets encompassing sentiment analysis, natural language inference, and paraphrase detection demonstrate that ALVIN outperforms state-of-the-art active learning methods in both in-distribution and out-of-distribution generalization.
General Data Protection Regulations (GDPR) aim to safeguard individuals' personal information from harm. While full compliance is mandatory in the European Union and the California Privacy Rights Act (CPRA), it is not in other places. GDPR requires simultaneous compliance with all the principles such as fairness, accuracy, and data minimization. However, it overlooks the potential contradictions within its principles. This matter gets even more complex when compliance is required from decision-making systems. Therefore, it is essential to investigate the feasibility of simultaneously achieving the goals of GDPR and machine learning, and the potential tradeoffs that might be forced upon us. This paper studies the relationship between the principles of data minimization and fairness in recommender systems. We operationalize data minimization via active learning (AL) because, unlike many other methods, it can preserve a high accuracy while allowing for strategic data collection, hence minimizing the amount of data collection. We have implemented several active learning strategies (personalized and non-personalized) and conducted a comparative analysis focusing on accuracy and fairness on two publicly available datasets. The results demonstrate that different AL strategies may have different impacts on the accuracy of recommender systems with nearly all strategies negatively impacting fairness. There has been no to very limited work on the trade-off between data minimization and fairness, the pros and cons of active learning methods as tools for implementing data minimization, and the potential impacts of AL on fairness. By exploring these critical aspects, we offer valuable insights for developing recommender systems that are GDPR compliant.
Recent efforts in fine-tuning language models often rely on automatic data selection, commonly using Nearest Neighbors retrieval from large datasets. However, we theoretically show that this approach tends to select redundant data, limiting its effectiveness or even hurting performance. To address this, we introduce SIFT, a data selection algorithm designed to reduce uncertainty about the model's response given a prompt, which unifies ideas from retrieval and active learning. Whereas Nearest Neighbor retrieval typically fails in the presence of information duplication, SIFT accounts for information duplication and optimizes the overall information gain of the selected examples. We focus our evaluations on fine-tuning at test-time for prompt-specific language modeling on the Pile dataset, and show that SIFT consistently outperforms Nearest Neighbor retrieval, with minimal computational overhead. Moreover, we show that our uncertainty estimates can predict the performance gain of test-time fine-tuning, and use this to develop an adaptive algorithm that invests test-time compute proportional to realized performance gains. We provide the $\texttt{activeft}$ (Active Fine-Tuning) library which can be used as a drop-in replacement for Nearest Neighbor retrieval.
Forensic analysts often use social media imagery and texts to understand important events. A primary challenge is the initial sifting of irrelevant posts. This work introduces an interactive process for training an event-centric, learning-based multimodal classification model that automates sanitization. We propose a method based on Bayesian Graph Neural Networks (BGNNs) and evaluate active learning and pseudo-labeling formulations to reduce the number of posts the analyst must manually annotate. Our results indicate that BGNNs are useful for social-media data sifting for forensics investigations of events of interest, the value of active learning and pseudo-labeling varies based on the setting, and incorporating unlabelled data from other events improves performance.
Artificial intelligence is transforming scientific computing with deep neural network surrogates that approximate solutions to partial differential equations (PDEs). Traditional off-line training methods face issues with storage and I/O efficiency, as the training dataset has to be computed with numerical solvers up-front. Our previous work, the Melissa framework, addresses these problems by enabling data to be created "on-the-fly" and streamed directly into the training process. In this paper we introduce a new active learning method to enhance data-efficiency for on-line surrogate training. The surrogate is direct and multi-parametric, i.e., it is trained to predict a given timestep directly with different initial and boundary conditions parameters. Our approach uses Adaptive Multiple Importance Sampling guided by training loss statistics, in order to focus NN training on the difficult areas of the parameter space. Preliminary results for 2D heat PDE demonstrate the potential of this method, called Breed, to improve the generalization capabilities of surrogates while reducing computational overhead.
Active learning (AL) optimizes data labeling efficiency by selecting the most informative instances for annotation. A key component in this procedure is an acquisition function that guides the selection process and identifies the suitable instances for labeling from the unlabeled pool. However, these acquisition methods suffer from high computational costs with large unlabeled data pools, posing a roadblock to their applicability on large datasets. To address this challenge and bridge this gap, we introduce a novel plug-and-play unlabeled data pruning strategy, ActivePrune, which leverages language models to prune the unlabeled pool. ActivePrune implements a two-stage pruning process: an initial fast evaluation using perplexity scores from an n-gram language model, followed by a high-quality selection using metrics for data quality computed through a quantized LLM. Additionally, to enhance the diversity in the unlabeled pool, we propose a novel perplexity reweighting method that systematically brings forward underrepresented instances for selection in subsequent labeling iterations. Experiments on translation, sentiment analysis, topic classification, and summarization tasks on four diverse datasets and four active learning strategies demonstrate that ActivePrune outperforms existing data pruning methods. Finally, we compare the selection quality $\leftrightarrow$ efficiency tradeoff of the data pruning methods and demonstrate that ActivePrune is computationally more efficient than other LLM score-based pruning methods, and provides up to 74% reduction in the end-to-end time required for active learning.
3D object detection is fundamentally important for various emerging applications, including autonomous driving and robotics. A key requirement for training an accurate 3D object detector is the availability of a large amount of LiDAR-based point cloud data. Unfortunately, labeling point cloud data is extremely challenging, as accurate 3D bounding boxes and semantic labels are required for each potential object. This paper proposes a unified active 3D object detection framework, for greatly reducing the labeling cost of training 3D object detectors. Our framework is based on a novel formulation of submodular optimization, specifically tailored to the problem of active 3D object detection. In particular, we address two fundamental challenges associated with active 3D object detection: data imbalance and the need to cover the distribution of the data, including LiDAR-based point cloud data of varying difficulty levels. Extensive experiments demonstrate that our method achieves state-of-the-art performance with high computational efficiency compared to existing active learning methods. The code is available at https://github.com/RuiyuM/STONE.
In recent years, powerful data-driven deep-learning techniques have been developed and applied for automated catch registration. However, these methods are dependent on the labelled data, which is time-consuming, labour-intensive, expensive to collect and need expert knowledge. In this study, we present an active learning technique, named BoxAL, which includes estimation of epistemic certainty of the Faster R-CNN object-detection model. The method allows selecting the most uncertain training images from an unlabeled pool, which are then used to train the object-detection model. To evaluate the method, we used an open-source image dataset obtained with a dedicated image-acquisition system developed for commercial trawlers targeting demersal species. We demonstrated, that our approach allows reaching the same object-detection performance as with the random sampling using 400 fewer labelled images. Besides, mean AP score was significantly higher at the last training iteration with 1100 training images, specifically, 39.0±1.6 and 34.8±1.8 for certainty-based sampling and random sampling, respectively. Additionally, we showed that epistemic certainty is a suitable method to sample images that the current iteration of the model cannot deal with yet. Our study additionally showed that the sampled new data is more valuable for training than the remaining unlabeled data. Our software is available on https://github.com/pieterblok/boxal.
Active learning methods aim to improve sample complexity in machine learning. In this work, we investigate an active learning scheme via a novel gradient-free cutting-plane training method for ReLU networks of arbitrary depth and develop a convergence theory. We demonstrate, for the first time, that cutting-plane algorithms, traditionally used in linear models, can be extended to deep neural networks despite their nonconvexity and nonlinear decision boundaries. Moreover, this training method induces the first deep active learning scheme known to achieve convergence guarantees, revealing a geometric contraction rate of the feasible set. We exemplify the effectiveness of our proposed active learning method against popular deep active learning baselines via both synthetic data experiments and sentimental classification task on real datasets.
Large language models require vast amounts of high-quality training data, but effective filtering of web-scale datasets remains a significant challenge. This paper demonstrates that GPT-4o is remarkably effective at identifying high-quality training data, but its prohibitive cost makes it impractical at web-scale. We propose SIEVE, a lightweight alternative that matches GPT-4o accuracy at less than 1\% of the cost. SIEVE can perform up to 500 filtering operations for the cost of one GPT-4o filtering call. The key to SIEVE is a seamless integration of GPT-4o and lightweight text classification models, using active learning to fine-tune these models in the background with a small number of calls to GPT-4o. Once trained, it performs as well as GPT-4o at a tiny fraction of the cost. Through different filtering prompts, SIEVE can efficiently curate high quality data for general or specialized domains from web-scale corpora -- a valuable capability given the current scarcity of high-quality domain-specific datasets. Extensive experiments using automatic and human evaluation metrics show that SIEVE and GPT-4o achieve similar performance on five highly specific filtering prompts. In addition, when performing quality filtering on web crawl datasets, we demonstrate SIEVE can further improve over state-of-the-art quality filtering methods in the DataComp-LM challenge for selecting LLM pretraining data.
Aligning large language models (LLMs) with human preferences is critical to recent advances in generative artificial intelligence. Reinforcement learning from human feedback (RLHF) is widely applied to achieve this objective. A key step in RLHF is to learn the reward function from human feedback. However, human feedback is costly and time-consuming, making it essential to collect high-quality conversation data for human teachers to label. Additionally, different human teachers have different levels of expertise. It is thus critical to query the most appropriate teacher for their opinions. In this paper, we use offline reinforcement learning (RL) to formulate the alignment problem. Motivated by the idea of $D$-optimal design, we first propose a dual active reward learning algorithm for the simultaneous selection of conversations and teachers. Next, we apply pessimistic RL to solve the alignment problem, based on the learned reward estimator. Theoretically, we show that the reward estimator obtained through our proposed adaptive selection strategy achieves minimal generalized variance asymptotically, and prove that the sub-optimality of our pessimistic policy scales as $O(1/\sqrt{T})$ with a given sample budget $T$. Through simulations and experiments on LLMs, we demonstrate the effectiveness of our algorithm and its superiority over state-of-the-arts.