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Functional graphs (FGs) model the graph structures used to analyze the behavior of functions from a discrete set to itself. In turn, such functions are used to study real complex phenomena evolving in time. As the systems involved can be quite large, it is interesting to decompose and factorize them into several subgraphs acting together. Polynomial equations over functional graphs provide a formal way to represent this decomposition and factorization mechanism, and solving them validates or invalidates hypotheses on their decomposability. The current solution method breaks down a single equation into a series of \emph{basic} equations of the form $A\times X=B$ (with $A$, $X$, and $B$ being FGs) to identify the possible solutions. However, it is able to consider just FGs made of cycles only. This work proposes an algorithm for solving these basic equations for general connected FGs. By exploiting a connection with the cancellation problem, we prove that the upper bound to the number of solutions is closely related to the size of the cycle in the coefficient $A$ of the equation. The cancellation problem is also involved in the main algorithms provided by the paper. We introduce a polynomial-time semi-decision algorithm able to provide constraints that a potential solution will have to satisfy if it exists. Then, exploiting the ideas introduced in the first algorithm, we introduce a second exponential-time algorithm capable of finding all solutions by integrating several `hacks' that try to keep the exponential as tight as possible.

We present ReCAT, a recursive composition augmented Transformer that is able to explicitly model hierarchical syntactic structures of raw texts without relying on gold trees during both learning and inference. Existing research along this line restricts data to follow a hierarchical tree structure and thus lacks inter-span communications. To overcome the problem, we propose a novel contextual inside-outside (CIO) layer that learns contextualized representations of spans through bottom-up and top-down passes, where a bottom-up pass forms representations of high-level spans by composing low-level spans, while a top-down pass combines information inside and outside a span. By stacking several CIO layers between the embedding layer and the attention layers in Transformer, the ReCAT model can perform both deep intra-span and deep inter-span interactions, and thus generate multi-grained representations fully contextualized with other spans. Moreover, the CIO layers can be jointly pre-trained with Transformers, making ReCAT enjoy scaling ability, strong performance, and interpretability at the same time. We conduct experiments on various sentence-level and span-level tasks. Evaluation results indicate that ReCAT can significantly outperform vanilla Transformer models on all span-level tasks and baselines that combine recursive networks with Transformers on natural language inference tasks. More interestingly, the hierarchical structures induced by ReCAT exhibit strong consistency with human-annotated syntactic trees, indicating good interpretability brought by the CIO layers.

The success of language models, especially transformer-based architectures, has trickled into other domains giving rise to "scientific language models" that operate on small molecules, proteins or polymers. In chemistry, language models contribute to accelerating the molecule discovery cycle as evidenced by promising recent findings in early-stage drug discovery. Here, we review the role of language models in molecular discovery, underlining their strength in de novo drug design, property prediction and reaction chemistry. We highlight valuable open-source software assets thus lowering the entry barrier to the field of scientific language modeling. Last, we sketch a vision for future molecular design that combines a chatbot interface with access to computational chemistry tools. Our contribution serves as a valuable resource for researchers, chemists, and AI enthusiasts interested in understanding how language models can and will be used to accelerate chemical discovery.

In this paper, a kinematically modular approach to robot control is presented. The method involves structures called Elementary Dynamic Actions and a network model combining these elements. With this control framework, a rich repertoire of movements can be generated by combination of basic kinematic modules. Each module can be learned by Imitation Learning, thereby resulting in a modular learning strategy for robot control. The theoretical foundations and their real robot implementation are presented. Using a KUKA LBR iiwa14 robot, three tasks were considered: (1) generating a sequence of discrete movements, (2) generating a combination of discrete and rhythmic movements, and (3) a drawing and erasing task. The obtained results indicate that this modular approach has the potential to simplify the generation of a diverse range of robot actions.

As artificial intelligence (AI) models continue to scale up, they are becoming more capable and integrated into various forms of decision-making systems. For models involved in moral decision-making, also known as artificial moral agents (AMA), interpretability provides a way to trust and understand the agent's internal reasoning mechanisms for effective use and error correction. In this paper, we provide an overview of this rapidly-evolving sub-field of AI interpretability, introduce the concept of the Minimum Level of Interpretability (MLI) and recommend an MLI for various types of agents, to aid their safe deployment in real-world settings.

Adversarial attack is a technique for deceiving Machine Learning (ML) models, which provides a way to evaluate the adversarial robustness. In practice, attack algorithms are artificially selected and tuned by human experts to break a ML system. However, manual selection of attackers tends to be sub-optimal, leading to a mistakenly assessment of model security. In this paper, a new procedure called Composite Adversarial Attack (CAA) is proposed for automatically searching the best combination of attack algorithms and their hyper-parameters from a candidate pool of \textbf{32 base attackers}. We design a search space where attack policy is represented as an attacking sequence, i.e., the output of the previous attacker is used as the initialization input for successors. Multi-objective NSGA-II genetic algorithm is adopted for finding the strongest attack policy with minimum complexity. The experimental result shows CAA beats 10 top attackers on 11 diverse defenses with less elapsed time (\textbf{6 $\times$ faster than AutoAttack}), and achieves the new state-of-the-art on $l_{\infty}$, $l_{2}$ and unrestricted adversarial attacks.

Although measuring held-out accuracy has been the primary approach to evaluate generalization, it often overestimates the performance of NLP models, while alternative approaches for evaluating models either focus on individual tasks or on specific behaviors. Inspired by principles of behavioral testing in software engineering, we introduce CheckList, a task-agnostic methodology for testing NLP models. CheckList includes a matrix of general linguistic capabilities and test types that facilitate comprehensive test ideation, as well as a software tool to generate a large and diverse number of test cases quickly. We illustrate the utility of CheckList with tests for three tasks, identifying critical failures in both commercial and state-of-art models. In a user study, a team responsible for a commercial sentiment analysis model found new and actionable bugs in an extensively tested model. In another user study, NLP practitioners with CheckList created twice as many tests, and found almost three times as many bugs as users without it.

We propose a novel method for automatic reasoning on knowledge graphs based on debate dynamics. The main idea is to frame the task of triple classification as a debate game between two reinforcement learning agents which extract arguments -- paths in the knowledge graph -- with the goal to promote the fact being true (thesis) or the fact being false (antithesis), respectively. Based on these arguments, a binary classifier, called the judge, decides whether the fact is true or false. The two agents can be considered as sparse, adversarial feature generators that present interpretable evidence for either the thesis or the antithesis. In contrast to other black-box methods, the arguments allow users to get an understanding of the decision of the judge. Since the focus of this work is to create an explainable method that maintains a competitive predictive accuracy, we benchmark our method on the triple classification and link prediction task. Thereby, we find that our method outperforms several baselines on the benchmark datasets FB15k-237, WN18RR, and Hetionet. We also conduct a survey and find that the extracted arguments are informative for users.

BERT, a pre-trained Transformer model, has achieved ground-breaking performance on multiple NLP tasks. In this paper, we describe BERTSUM, a simple variant of BERT, for extractive summarization. Our system is the state of the art on the CNN/Dailymail dataset, outperforming the previous best-performed system by 1.65 on ROUGE-L. The codes to reproduce our results are available at //github.com/nlpyang/BertSum