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Information Extraction processes in handwritten documents tend to rely on obtaining an automatic transcription and performing Named Entity Recognition (NER) over such transcription. For this reason, in publicly available datasets, the performance of the systems is usually evaluated with metrics particular to each dataset. Moreover, most of the metrics employed are sensitive to reading order errors. Therefore, they do not reflect the expected final application of the system and introduce biases in more complex documents. In this paper, we propose and publicly release a set of reading order independent metrics tailored to Information Extraction evaluation in handwritten documents. In our experimentation, we perform an in-depth analysis of the behavior of the metrics to recommend what we consider to be the minimal set of metrics to evaluate a task correctly.

Characteristic imsets are 0/1-vectors representing directed acyclic graphs whose edges represent direct cause-effect relations between jointly distributed random variables. A characteristic imset (CIM) polytope is the convex hull of a collection of characteristic imsets. CIM polytopes arise as feasible regions of a linear programming approach to the problem of causal disovery, which aims to infer a cause-effect structure from data. Linear optimization methods typically require a hyperplane representation of the feasible region, which has proven difficult to compute for CIM polytopes despite continued efforts. We solve this problem for CIM polytopes that are the convex hull of imsets associated to DAGs whose underlying graph of adjacencies is a tree. Our methods use the theory of toric fiber products as well as the novel notion of interventional CIM polytopes. Our solution is obtained as a corollary of a more general result for interventional CIM polytopes. The identified hyperplanes are applied to yield a linear optimization-based causal discovery algorithm for learning polytree causal networks from a combination of observational and interventional data.

The Stochastic Gradient Langevin Dynamics (SGLD) are popularly used to approximate Bayesian posterior distributions in statistical learning procedures with large-scale data. As opposed to many usual Markov chain Monte Carlo (MCMC) algorithms, SGLD is not stationary with respect to the posterior distribution; two sources of error appear: The first error is introduced by an Euler--Maruyama discretisation of a Langevin diffusion process, the second error comes from the data subsampling that enables its use in large-scale data settings. In this work, we consider an idealised version of SGLD to analyse the method's pure subsampling error that we then see as a best-case error for diffusion-based subsampling MCMC methods. Indeed, we introduce and study the Stochastic Gradient Langevin Diffusion (SGLDiff), a continuous-time Markov process that follows the Langevin diffusion corresponding to a data subset and switches this data subset after exponential waiting times. There, we show the exponential ergodicity of SLGDiff and that the Wasserstein distance between the posterior and the limiting distribution of SGLDiff is bounded above by a fractional power of the mean waiting time. We bring our results into context with other analyses of SGLD.

Performance prediction has been a key part of the neural architecture search (NAS) process, allowing to speed up NAS algorithms by avoiding resource-consuming network training. Although many performance predictors correlate well with ground truth performance, they require training data in the form of trained networks. Recently, zero-cost proxies have been proposed as an efficient method to estimate network performance without any training. However, they are still poorly understood, exhibit biases with network properties, and their performance is limited. Inspired by the drawbacks of zero-cost proxies, we propose neural graph features (GRAF), simple to compute properties of architectural graphs. GRAF offers fast and interpretable performance prediction while outperforming zero-cost proxies and other common encodings. In combination with other zero-cost proxies, GRAF outperforms most existing performance predictors at a fraction of the cost.

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.

This paper presents a new approach for assembling graph neural networks based on framelet transforms. The latter provides a multi-scale representation for graph-structured data. With the framelet system, we can decompose the graph feature into low-pass and high-pass frequencies as extracted features for network training, which then defines a framelet-based graph convolution. The framelet decomposition naturally induces a graph pooling strategy by aggregating the graph feature into low-pass and high-pass spectra, which considers both the feature values and geometry of the graph data and conserves the total information. The graph neural networks with the proposed framelet convolution and pooling achieve state-of-the-art performance in many types of node and graph prediction tasks. Moreover, we propose shrinkage as a new activation for the framelet convolution, which thresholds the high-frequency information at different scales. Compared to ReLU, shrinkage in framelet convolution improves the graph neural network model in terms of denoising and signal compression: noises in both node and structure can be significantly reduced by accurately cutting off the high-pass coefficients from framelet decomposition, and the signal can be compressed to less than half its original size with the prediction performance well preserved.

The notion of "in-domain data" in NLP is often over-simplistic and vague, as textual data varies in many nuanced linguistic aspects such as topic, style or level of formality. In addition, domain labels are many times unavailable, making it challenging to build domain-specific systems. We show that massive pre-trained language models implicitly learn sentence representations that cluster by domains without supervision -- suggesting a simple data-driven definition of domains in textual data. We harness this property and propose domain data selection methods based on such models, which require only a small set of in-domain monolingual data. We evaluate our data selection methods for neural machine translation across five diverse domains, where they outperform an established approach as measured by both BLEU and by precision and recall of sentence selection with respect to an oracle.

High spectral dimensionality and the shortage of annotations make hyperspectral image (HSI) classification a challenging problem. Recent studies suggest that convolutional neural networks can learn discriminative spatial features, which play a paramount role in HSI interpretation. However, most of these methods ignore the distinctive spectral-spatial characteristic of hyperspectral data. In addition, a large amount of unlabeled data remains an unexploited gold mine for efficient data use. Therefore, we proposed an integration of generative adversarial networks (GANs) and probabilistic graphical models for HSI classification. Specifically, we used a spectral-spatial generator and a discriminator to identify land cover categories of hyperspectral cubes. Moreover, to take advantage of a large amount of unlabeled data, we adopted a conditional random field to refine the preliminary classification results generated by GANs. Experimental results obtained using two commonly studied datasets demonstrate that the proposed framework achieved encouraging classification accuracy using a small number of data for training.