Inductive Learning
Perturbation-based Active Learning for Question Answering
Building a question answering (QA) model with less annotation costs can be achieved by utilizing active learning (AL) training strategy. It selects the most informative unlabeled training data to update the model effectively. Acquisition functions for AL are used to determine how informative each training example is, such as uncertainty or diversity based sampling. In this work, we propose a perturbation-based active learning acquisition strategy and demonstrate it is more effective than existing commonly used strategies.
Continually Improving Extractive QA via Human Feedback
Gao, Ge, Chen, Hung-Ting, Artzi, Yoav, Choi, Eunsol
We study continually improving an extractive question answering (QA) system via human user feedback. We design and deploy an iterative approach, where information-seeking users ask questions, receive model-predicted answers, and provide feedback. We conduct experiments involving thousands of user interactions under diverse setups to broaden the understanding of learning from feedback over time. Our experiments show effective improvement from user feedback of extractive QA models over time across different data regimes, including significant potential for domain adaptation.
Characterizing Graph Datasets for Node Classification: Homophily-Heterophily Dichotomy and Beyond
Platonov, Oleg, Kuznedelev, Denis, Babenko, Artem, Prokhorenkova, Liudmila
Homophily is a graph property describing the tendency of edges to connect similar nodes; the opposite is called heterophily. It is often believed that heterophilous graphs are challenging for standard message-passing graph neural networks (GNNs), and much effort has been put into developing efficient methods for this setting. However, there is no universally agreed-upon measure of homophily in the literature. In this work, we show that commonly used homophily measures have critical drawbacks preventing the comparison of homophily levels across different datasets. For this, we formalize desirable properties for a proper homophily measure and verify which measures satisfy which properties. In particular, we show that a measure that we call adjusted homophily satisfies more desirable properties than other popular homophily measures while being rarely used in graph machine learning literature. Then, we go beyond the homophily-heterophily dichotomy and propose a new characteristic that allows one to further distinguish different sorts of heterophily. The proposed label informativeness (LI) characterizes how much information a neighbor's label provides about a node's label. We prove that this measure satisfies important desirable properties. We also observe empirically that LI better agrees with GNN performance compared to homophily measures, which confirms that it is a useful characteristic of the graph structure.
SensorSCAN: Self-Supervised Learning and Deep Clustering for Fault Diagnosis in Chemical Processes
Golyadkin, Maksim, Pozdnyakov, Vitaliy, Zhukov, Leonid, Makarov, Ilya
Modern industrial facilities generate large volumes of raw sensor data during the production process. This data is used to monitor and control the processes and can be analyzed to detect and predict process abnormalities. Typically, the data has to be annotated by experts in order to be used in predictive modeling. However, manual annotation of large amounts of data can be difficult in industrial settings. In this paper, we propose SensorSCAN, a novel method for unsupervised fault detection and diagnosis, designed for industrial chemical process monitoring. We demonstrate our model's performance on two publicly available datasets of the Tennessee Eastman Process with various faults. The results show that our method significantly outperforms existing approaches (+0.2-0.3 TPR for a fixed FPR) and effectively detects most of the process faults without expert annotation. Moreover, we show that the model fine-tuned on a small fraction of labeled data nearly reaches the performance of a SOTA model trained on the full dataset. We also demonstrate that our method is suitable for real-world applications where the number of faults is not known in advance. The code is available at https://github.com/AIRI-Institute/sensorscan.
ATHENA: Mathematical Reasoning with Thought Expansion
Kim, JB., Kim, Hazel, Hahn, Joonghyuk, Han, Yo-Sub
Solving math word problems depends on how to articulate the problems, the lens through which models view human linguistic expressions. Real-world settings count on such a method even more due to the diverse practices of the same mathematical operations. Earlier works constrain available thinking processes by limited prediction strategies without considering their significance in acquiring mathematical knowledge. We introduce Attention-based THought Expansion Network Architecture (ATHENA) to tackle the challenges of real-world practices by mimicking human thought expansion mechanisms in the form of neural network propagation. A thought expansion recurrently generates the candidates carrying the thoughts of possible math expressions driven from the previous step and yields reasonable thoughts by selecting the valid pathways to the goal. Our experiments show that ATHENA achieves a new state-of-the-art stage toward the ideal model that is compelling in variant questions even when the informativeness in training examples is restricted.
Robust Data Pruning under Label Noise via Maximizing Re-labeling Accuracy
Park, Dongmin, Choi, Seola, Kim, Doyoung, Song, Hwanjun, Lee, Jae-Gil
Data pruning, which aims to downsize a large training set into a small informative subset, is crucial for reducing the enormous computational costs of modern deep learning. Though large-scale data collections invariably contain annotation noise and numerous robust learning methods have been developed, data pruning for the noise-robust learning scenario has received little attention. With state-of-the-art Re-labeling methods that self-correct erroneous labels while training, it is challenging to identify which subset induces the most accurate re-labeling of erroneous labels in the entire training set. In this paper, we formalize the problem of data pruning with re-labeling. We first show that the likelihood of a training example being correctly re-labeled is proportional to the prediction confidence of its neighborhood in the subset. Therefore, we propose a novel data pruning algorithm, Prune4Rel, that finds a subset maximizing the total neighborhood confidence of all training examples, thereby maximizing the re-labeling accuracy and generalization performance. Extensive experiments on four real and one synthetic noisy datasets show that \algname{} outperforms the baselines with Re-labeling models by up to 9.1% as well as those with a standard model by up to 21.6%.
SemiGPC: Distribution-Aware Label Refinement for Imbalanced Semi-Supervised Learning Using Gaussian Processes
Lemkhenter, Abdelhak, Wang, Manchen, Zancato, Luca, Swaminathan, Gurumurthy, Favaro, Paolo, Modolo, Davide
In this paper we introduce SemiGPC, a distribution-aware label refinement strategy based on Gaussian Processes where the predictions of the model are derived from the labels posterior distribution. Differently from other buffer-based semi-supervised methods such as CoMatch and SimMatch, our SemiGPC includes a normalization term that addresses imbalances in the global data distribution while maintaining local sensitivity. This explicit control allows SemiGPC to be more robust to confirmation bias especially under class imbalance. We show that SemiGPC improves performance when paired with different Semi-Supervised methods such as FixMatch, ReMixMatch, SimMatch and FreeMatch and different pre-training strategies including MSN and Dino. We also show that SemiGPC achieves state of the art results under different degrees of class imbalance on standard CIFAR10-LT/CIFAR100-LT especially in the low data-regime. Using SemiGPC also results in about 2% avg.accuracy increase compared to a new competitive baseline on the more challenging benchmarks SemiAves, SemiCUB, SemiFungi and Semi-iNat.
Generating QM1B with PySCF$_{\text{IPU}}$
Mathiasen, Alexander, Helal, Hatem, Klaser, Kerstin, Balanca, Paul, Dean, Josef, Luschi, Carlo, Beaini, Dominique, Fitzgibbon, Andrew, Masters, Dominic
The emergence of foundation models in Computer Vision and Natural Language Processing have resulted in immense progress on downstream tasks. This progress was enabled by datasets with billions of training examples. Similar benefits are yet to be unlocked for quantum chemistry, where the potential of deep learning is constrained by comparatively small datasets with 100k to 20M training examples. These datasets are limited in size because the labels are computed using the accurate (but computationally demanding) predictions of Density Functional Theory (DFT). Notably, prior DFT datasets were created using CPU supercomputers without leveraging hardware acceleration. In this paper, we take a first step towards utilising hardware accelerators by introducing the data generator PySCF$_{\text{IPU}}$ using Intelligence Processing Units (IPUs). This allowed us to create the dataset QM1B with one billion training examples containing 9-11 heavy atoms. We demonstrate that a simple baseline neural network (SchNet 9M) improves its performance by simply increasing the amount of training data without additional inductive biases. To encourage future researchers to use QM1B responsibly, we highlight several limitations of QM1B and emphasise the low-resolution of our DFT options, which also serves as motivation for even larger, more accurate datasets. Code and dataset are available on Github: http://github.com/graphcore-research/pyscf-ipu
An Integrated Framework Integrating Monte Carlo Tree Search and Supervised Learning for Train Timetabling Problem
The single-track railway train timetabling problem (TTP) is an important and complex problem. This article proposes an integrated Monte Carlo Tree Search (MCTS) computing framework that combines heuristic methods, unsupervised learning methods, and supervised learning methods for solving TTP in discrete action spaces. This article first describes the mathematical model and simulation system dynamics of TTP, analyzes the characteristics of the solution from the perspective of MCTS, and proposes some heuristic methods to improve MCTS. This article considers these methods as planners in the proposed framework. Secondly, this article utilizes deep convolutional neural networks to approximate the value of nodes and further applies them to the MCTS search process, referred to as learners. The experiment shows that the proposed heuristic MCTS method is beneficial for solving TTP; The algorithm framework that integrates planners and learners can improve the data efficiency of solving TTP; The proposed method provides a new paradigm for solving TTP.
MIST: Defending Against Membership Inference Attacks Through Membership-Invariant Subspace Training
Li, Jiacheng, Li, Ninghui, Ribeiro, Bruno
In Member Inference (MI) attacks, the adversary try to determine whether an instance is used to train a machine learning (ML) model. MI attacks are a major privacy concern when using private data to train ML models. Most MI attacks in the literature take advantage of the fact that ML models are trained to fit the training data well, and thus have very low loss on training instances. Most defenses against MI attacks therefore try to make the model fit the training data less well. Doing so, however, generally results in lower accuracy. We observe that training instances have different degrees of vulnerability to MI attacks. Most instances will have low loss even when not included in training. For these instances, the model can fit them well without concerns of MI attacks. An effective defense only needs to (possibly implicitly) identify instances that are vulnerable to MI attacks and avoids overfitting them. A major challenge is how to achieve such an effect in an efficient training process. Leveraging two distinct recent advancements in representation learning: counterfactually-invariant representations and subspace learning methods, we introduce a novel Membership-Invariant Subspace Training (MIST) method to defend against MI attacks. MIST avoids overfitting the vulnerable instances without significant impact on other instances. We have conducted extensive experimental studies, comparing MIST with various other state-of-the-art (SOTA) MI defenses against several SOTA MI attacks. We find that MIST outperforms other defenses while resulting in minimal reduction in testing accuracy.