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Regular transition systems (RTS) are a popular formalism for modeling infinite-state systems in general, and parameterised systems in particular. In a CONCUR 22 paper, Esparza et al. introduce a novel approach to the verification of RTS, based on inductive invariants. The approach computes the intersection of all inductive invariants of a given RTS that can be expressed as CNF formulas with a bounded number of clauses, and uses it to construct an automaton recognising an overapproximation of the reachable configurations. The paper shows that the problem of deciding if the language of this automaton intersects a given regular set of unsafe configurations is in $\textsf{EXPSPACE}$ and $\textsf{PSPACE}$-hard. We introduce $\textit{regular abstraction frameworks}$, a generalisation of the approach of Esparza et al., very similar to the regular abstractions of Hong and Lin. A framework consists of a regular language of $\textit{constraints}$, and a transducer, called the $\textit{interpretation}$, that assigns to each constraint the set of configurations of the RTS satisfying it. Examples of regular abstraction frameworks include the formulas of Esparza et al., octagons, bounded difference matrices, and views. We show that the generalisation of the decision problem above to regular abstraction frameworks remains in $\textsf{EXPSPACE}$, and prove a matching (highly non-trivial) $\textsf{EXPSPACE}$-hardness bound. $\textsf{EXPSPACE}$-hardness implies that, in the worst case, the automaton recognising the overapproximation of the reachable configurations has a double-exponential number of states. We introduce a learning algorithm that computes this automaton in a lazy manner, stopping whenever the current hypothesis is already strong enough to prove safety. We report on an implementation and show that our experimental results improve on those of Esparza et al.

We present a uniform approach for solving language inclusion problems. Our approach relies on a least fixpoint characterization and a quasiorder to compare words of the "smaller" language, reducing the inclusion check to a finite number of membership queries in the "larger" language. We present our approach in detail on the case of inclusion of a context-free language given by a grammar into a regular language. We then explore other inclusion problems and discuss how to apply our approach.

Label projection, which involves obtaining translated labels and texts jointly, is essential for leveraging machine translation to facilitate cross-lingual transfer in structured prediction tasks. Prior research exploring label projection often compromise translation accuracy by favoring simplified label translation or relying solely on word-level alignments. In this paper, we introduce a novel label projection approach, CLaP, which translates text to the target language and performs contextual translation on the labels using the translated text as the context, ensuring better accuracy for the translated labels. We leverage instruction-tuned language models with multilingual capabilities as our contextual translator, imposing the constraint of the presence of translated labels in the translated text via instructions. We benchmark CLaP with other label projection techniques on zero-shot cross-lingual transfer across 39 languages on two representative structured prediction tasks - event argument extraction (EAE) and named entity recognition (NER), showing over 2.4 F1 improvement for EAE and 1.4 F1 improvement for NER. We further explore the applicability of CLaP on ten extremely low-resource languages to showcase its potential for cross-lingual structured prediction.

Foundation models in language and vision have the ability to run inference on any textual and visual inputs thanks to the transferable representations such as a vocabulary of tokens in language. Knowledge graphs (KGs) have different entity and relation vocabularies that generally do not overlap. The key challenge of designing foundation models on KGs is to learn such transferable representations that enable inference on any graph with arbitrary entity and relation vocabularies. In this work, we make a step towards such foundation models and present ULTRA, an approach for learning universal and transferable graph representations. ULTRA builds relational representations as a function conditioned on their interactions. Such a conditioning strategy allows a pre-trained ULTRA model to inductively generalize to any unseen KG with any relation vocabulary and to be fine-tuned on any graph. Conducting link prediction experiments on 57 different KGs, we find that the zero-shot inductive inference performance of a single pre-trained ULTRA model on unseen graphs of various sizes is often on par or better than strong baselines trained on specific graphs. Fine-tuning further boosts the performance.

In statistics and machine learning, logistic regression is a widely-used supervised learning technique primarily employed for binary classification tasks. When the number of observations greatly exceeds the number of predictor variables, we present a simple, randomized sampling-based algorithm for logistic regression problem that guarantees high-quality approximations to both the estimated probabilities and the overall discrepancy of the model. Our analysis builds upon two simple structural conditions that boil down to randomized matrix multiplication, a fundamental and well-understood primitive of randomized numerical linear algebra. We analyze the properties of estimated probabilities of logistic regression when leverage scores are used to sample observations, and prove that accurate approximations can be achieved with a sample whose size is much smaller than the total number of observations. To further validate our theoretical findings, we conduct comprehensive empirical evaluations. Overall, our work sheds light on the potential of using randomized sampling approaches to efficiently approximate the estimated probabilities in logistic regression, offering a practical and computationally efficient solution for large-scale datasets.

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.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.

Providing model-generated explanations in recommender systems is important to user experience. State-of-the-art recommendation algorithms -- especially the collaborative filtering (CF) based approaches with shallow or deep models -- usually work with various unstructured information sources for recommendation, such as textual reviews, visual images, and various implicit or explicit feedbacks. Though structured knowledge bases were considered in content-based approaches, they have been largely ignored recently due to the availability of vast amount of data and the learning power of many complex models. However, structured knowledge bases exhibit unique advantages in personalized recommendation systems. When the explicit knowledge about users and items is considered for recommendation, the system could provide highly customized recommendations based on users' historical behaviors and the knowledge is helpful for providing informed explanations regarding the recommended items. In this work, we propose to reason over knowledge base embeddings for explainable recommendation. Specifically, we propose a knowledge base representation learning framework to embed heterogeneous entities for recommendation, and based on the embedded knowledge base, a soft matching algorithm is proposed to generate personalized explanations for the recommended items. Experimental results on real-world e-commerce datasets verified the superior recommendation performance and the explainability power of our approach compared with state-of-the-art baselines.

Deep learning has yielded state-of-the-art performance on many natural language processing tasks including named entity recognition (NER). However, this typically requires large amounts of labeled data. In this work, we demonstrate that the amount of labeled training data can be drastically reduced when deep learning is combined with active learning. While active learning is sample-efficient, it can be computationally expensive since it requires iterative retraining. To speed this up, we introduce a lightweight architecture for NER, viz., the CNN-CNN-LSTM model consisting of convolutional character and word encoders and a long short term memory (LSTM) tag decoder. The model achieves nearly state-of-the-art performance on standard datasets for the task while being computationally much more efficient than best performing models. We carry out incremental active learning, during the training process, and are able to nearly match state-of-the-art performance with just 25\% of the original training data.