The field of software verification has produced a wide array of algorithmic techniques that can prove a variety of properties of a given program. It has been demonstrated that the performance of these techniques can vary up to 4 orders of magnitude on the same verification problem. Even for verification experts, it is difficult to decide which tool will perform best on a given problem. For general users, deciding the best tool for their verification problem is effectively impossible. In this work, we present Graves, a selection strategy based on graph neural networks (GNNs). Graves generates a graph representation of a program from which a GNN predicts a score for a verifier that indicates its performance on the program. We evaluate Graves on a set of 10 verification tools and over 8000 verification problems and find that it improves the state-of-the-art in verification algorithm selection by 12%, or 8 percentage points. Further, it is able to verify 9% more problems than any existing verifier on our test set. Through a qualitative study on model interpretability, we find strong evidence that the Graves' model learns to base its predictions on factors that relate to the unique features of the algorithmic techniques.
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Data preprocessing is a crucial part of any machine learning pipeline, and it can have a significant impact on both performance and training efficiency. This is especially evident when using deep neural networks for time series prediction and classification: real-world time series data often exhibit irregularities such as multi-modality, skewness and outliers, and the model performance can degrade rapidly if these characteristics are not adequately addressed. In this work, we propose the EDAIN (Extended Deep Adaptive Input Normalization) layer, a novel adaptive neural layer that learns how to appropriately normalize irregular time series data for a given task in an end-to-end fashion, instead of using a fixed normalization scheme. This is achieved by optimizing its unknown parameters simultaneously with the deep neural network using back-propagation. Our experiments, conducted using synthetic data, a credit default prediction dataset, and a large-scale limit order book benchmark dataset, demonstrate the superior performance of the EDAIN layer when compared to conventional normalization methods and existing adaptive time series preprocessing layers.
Quantiles are useful characteristics of random variables that can provide substantial information on distributions compared with commonly used summary statistics such as means. In this paper, we propose a Bayesian quantile trend filtering method to estimate non-stationary trend of quantiles. We introduce general shrinkage priors to induce locally adaptive Bayesian inference on trends and mixture representation of the asymmetric Laplace likelihood. To quickly compute the posterior distribution, we develop calibrated mean-field variational approximations to guarantee that the frequentist coverage of credible intervals obtained from the approximated posterior is a specified nominal level. Simulation and empirical studies show that the proposed algorithm is computationally much more efficient than the Gibbs sampler and tends to provide stable inference results, especially for high/low quantiles.
Although the Bayesian paradigm offers a formal framework for estimating the entire probability distribution over uncertain parameters, its online implementation can be challenging due to high computational costs. We suggest the Adaptive Recursive Markov Chain Monte Carlo (ARMCMC) method, which eliminates the shortcomings of conventional online techniques while computing the entire probability density function of model parameters. The limitations to Gaussian noise, the application to only linear in the parameters (LIP) systems, and the persistent excitation (PE) needs are some of these drawbacks. In ARMCMC, a temporal forgetting factor (TFF)-based variable jump distribution is proposed. The forgetting factor can be presented adaptively using the TFF in many dynamical systems as an alternative to a constant hyperparameter. By offering a trade-off between exploitation and exploration, the specific jump distribution has been optimised towards hybrid/multi-modal systems that permit inferences among modes. These trade-off are adjusted based on parameter evolution rate. We demonstrate that ARMCMC requires fewer samples than conventional MCMC methods to achieve the same precision and reliability. We demonstrate our approach using parameter estimation in a soft bending actuator and the Hunt-Crossley dynamic model, two challenging hybrid/multi-modal benchmarks. Additionally, we compare our method with recursive least squares and the particle filter, and show that our technique has significantly more accurate point estimates as well as a decrease in tracking error of the value of interest.
Gibbs posteriors are proportional to a prior distribution multiplied by an exponentiated loss function, with a key tuning parameter weighting information in the loss relative to the prior and providing a control of posterior uncertainty. Gibbs posteriors provide a principled framework for likelihood-free Bayesian inference, but in many situations, including a single tuning parameter inevitably leads to poor uncertainty quantification. In particular, regardless of the value of the parameter, credible regions have far from the nominal frequentist coverage even in large samples. We propose a sequential extension to Gibbs posteriors to address this problem. We prove the proposed sequential posterior exhibits concentration and a Bernstein-von Mises theorem, which holds under easy to verify conditions in Euclidean space and on manifolds. As a byproduct, we obtain the first Bernstein-von Mises theorem for traditional likelihood-based Bayesian posteriors on manifolds. All methods are illustrated with an application to principal component analysis.
We propose a differentiable vertex fitting algorithm that can be used for secondary vertex fitting, and that can be seamlessly integrated into neural networks for jet flavour tagging. Vertex fitting is formulated as an optimization problem where gradients of the optimized solution vertex are defined through implicit differentiation and can be passed to upstream or downstream neural network components for network training. More broadly, this is an application of differentiable programming to integrate physics knowledge into neural network models in high energy physics. We demonstrate how differentiable secondary vertex fitting can be integrated into larger transformer-based models for flavour tagging and improve heavy flavour jet classification.
We consider rather a general class of multi-level optimization problems, where a convex objective function is to be minimized subject to constraints of optimality of nested convex optimization problems. As a special case, we consider a trilevel optimization problem, where the objective of the two lower layers consists of a sum of a smooth and a non-smooth term.~Based on fixed-point theory and related arguments, we present a natural first-order algorithm and analyze its convergence and rates of convergence in several regimes of parameters.
Recent advances in whole-slide image (WSI) scanners and computational capabilities have significantly propelled the application of artificial intelligence in histopathology slide analysis. While these strides are promising, current supervised learning approaches for WSI analysis come with the challenge of exhaustively labeling high-resolution slides - a process that is both labor-intensive and time-consuming. In contrast, self-supervised learning (SSL) pretraining strategies are emerging as a viable alternative, given that they don't rely on explicit data annotations. These SSL strategies are quickly bridging the performance disparity with their supervised counterparts. In this context, we introduce an SSL framework. This framework aims for transferable representation learning and semantically meaningful clustering by synergizing invariance loss and clustering loss in WSI analysis. Notably, our approach outperforms common SSL methods in downstream classification and clustering tasks, as evidenced by tests on the Camelyon16 and a pancreatic cancer dataset. The code and additional details are accessible at: //github.com/wwyi1828/CluSiam.
When applying deep learning to remote sensing data in archaeological research, a notable obstacle is the limited availability of suitable datasets for training models. The application of transfer learning is frequently employed to mitigate this drawback. However, there is still a need to explore its effectiveness when applied across different archaeological datasets. This paper compares the performance of various transfer learning configurations using two semantic segmentation deep neural networks on two LiDAR datasets. The experimental results indicate that transfer learning-based approaches in archaeology can lead to performance improvements, although a systematic enhancement has not yet been observed. We provide specific insights about the validity of such techniques that can serve as a baseline for future works.
The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.
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