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Proximal causal learning is a promising framework for identifying the causal effect under the existence of unmeasured confounders. Within this framework, the doubly robust (DR) estimator was derived and has shown its effectiveness in estimation, especially when the model assumption is violated. However, the current form of the DR estimator is restricted to binary treatments, while the treatment can be continuous in many real-world applications. The primary obstacle to continuous treatments resides in the delta function present in the original DR estimator, making it infeasible in causal effect estimation and introducing a heavy computational burden in nuisance function estimation. To address these challenges, we propose a kernel-based DR estimator that can well handle continuous treatments. Equipped with its smoothness, we show that its oracle form is a consistent approximation of the influence function. Further, we propose a new approach to efficiently solve the nuisance functions. We then provide a comprehensive convergence analysis in terms of the mean square error. We demonstrate the utility of our estimator on synthetic datasets and real-world applications.

This study introduces a novel hierarchical divisive clustering approach with stochastic splitting functions (SSFs) to enhance classification performance in multi-class datasets through hierarchical classification (HC). The method has the unique capability of generating hierarchy without requiring explicit information, making it suitable for datasets lacking prior knowledge of hierarchy. By systematically dividing classes into two subsets based on their discriminability according to the classifier, the proposed approach constructs a binary tree representation of hierarchical classes. The approach is evaluated on 46 multi-class time series datasets using popular classifiers (svm and rocket) and SSFs (potr, srtr, and lsoo). The results reveal that the approach significantly improves classification performance in approximately half and a third of the datasets when using rocket and svm as the classifier, respectively. The study also explores the relationship between dataset features and HC performance. While the number of classes and flat classification (FC) score show consistent significance, variations are observed with different splitting functions. Overall, the proposed approach presents a promising strategy for enhancing classification by generating hierarchical structure in multi-class time series datasets. Future research directions involve exploring different splitting functions, classifiers, and hierarchy structures, as well as applying the approach to diverse domains beyond time series data. The source code is made openly available to facilitate reproducibility and further exploration of the method.

Recently, studies on machine learning have focused on methods that use symmetry implicit in a specific manifold as an inductive bias. Grassmann manifolds provide the ability to handle fundamental shapes represented as shape spaces, enabling stable shape analysis. In this paper, we present a novel approach in which we establish the theoretical foundations for learning distributions on the Grassmann manifold via continuous normalization flows, with the explicit goal of generating stable shapes. Our approach facilitates more robust generation by effectively eliminating the influence of extraneous transformations, such as rotations and inversions, through learning and generating within a Grassmann manifolds designed to accommodate the essential shape information of the object. The experimental results indicated that the proposed method can generate high-quality samples by capturing the data structure. Furthermore, the proposed method significantly outperformed state-of-the-art methods in terms of the log-likelihood or evidence lower bound. The results obtained are expected to stimulate further research in this field, leading to advances for stable shape generation and analysis.

Differentiable quantum architecture search (DQAS) is a gradient-based framework to design quantum circuits automatically in the NISQ era. It was motivated by such as low fidelity of quantum hardware, low flexibility of circuit architecture, high circuit design cost, barren plateau (BP) problem, and periodicity of weights. People used it to address error mitigation, unitary decomposition, and quantum approximation optimization problems based on fixed datasets. Quantum reinforcement learning (QRL) is a part of quantum machine learning and often has various data. QRL usually uses a manually designed circuit. However, the pre-defined circuit needs more flexibility for different tasks, and the circuit design based on various datasets could become intractable in the case of a large circuit. The problem of whether DQAS can be applied to quantum deep Q-learning with various datasets is still open. The main target of this work is to discover the capability of DQAS to solve quantum deep Q-learning problems. We apply a gradient-based framework DQAS on reinforcement learning tasks and evaluate it in two different environments - cart pole and frozen lake. It contains input- and output weights, progressive search, and other new features. The experiments conclude that DQAS can design quantum circuits automatically and efficiently. The evaluation results show significant outperformance compared to the manually designed circuit. Furthermore, the performance of the automatically created circuit depends on whether the super-circuit learned well during the training process. This work is the first to show that gradient-based quantum architecture search is applicable to QRL tasks.

The introduction of the generative adversarial imitation learning (GAIL) algorithm has spurred the development of scalable imitation learning approaches using deep neural networks. Many of the algorithms that followed used a similar procedure, combining on-policy actor-critic algorithms with inverse reinforcement learning. More recently there have been an even larger breadth of approaches, most of which use off-policy algorithms. However, with the breadth of algorithms, everything from datasets to base reinforcement learning algorithms to evaluation settings can vary, making it difficult to fairly compare them. In this work we re-implement 6 different IL algorithms, updating 3 of them to be off-policy, base them on a common off-policy algorithm (SAC), and evaluate them on a widely-used expert trajectory dataset (D4RL) for the most common benchmark (MuJoCo). After giving all algorithms the same hyperparameter optimisation budget, we compare their results for a range of expert trajectories. In summary, GAIL, with all of its improvements, consistently performs well across a range of sample sizes, AdRIL is a simple contender that performs well with one important hyperparameter to tune, and behavioural cloning remains a strong baseline when data is more plentiful.

Contrastive learning models have achieved great success in unsupervised visual representation learning, which maximize the similarities between feature representations of different views of the same image, while minimize the similarities between feature representations of views of different images. In text summarization, the output summary is a shorter form of the input document and they have similar meanings. In this paper, we propose a contrastive learning model for supervised abstractive text summarization, where we view a document, its gold summary and its model generated summaries as different views of the same mean representation and maximize the similarities between them during training. We improve over a strong sequence-to-sequence text generation model (i.e., BART) on three different summarization datasets. Human evaluation also shows that our model achieves better faithfulness ratings compared to its counterpart without contrastive objectives.

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.

We advocate the use of implicit fields for learning generative models of shapes and introduce an implicit field decoder for shape generation, aimed at improving the visual quality of the generated shapes. An implicit field assigns a value to each point in 3D space, so that a shape can be extracted as an iso-surface. Our implicit field decoder is trained to perform this assignment by means of a binary classifier. Specifically, it takes a point coordinate, along with a feature vector encoding a shape, and outputs a value which indicates whether the point is outside the shape or not. By replacing conventional decoders by our decoder for representation learning and generative modeling of shapes, we demonstrate superior results for tasks such as shape autoencoding, generation, interpolation, and single-view 3D reconstruction, particularly in terms of visual quality.

We propose a new method for event extraction (EE) task based on an imitation learning framework, specifically, inverse reinforcement learning (IRL) via generative adversarial network (GAN). The GAN estimates proper rewards according to the difference between the actions committed by the expert (or ground truth) and the agent among complicated states in the environment. EE task benefits from these dynamic rewards because instances and labels yield to various extents of difficulty and the gains are expected to be diverse -- e.g., an ambiguous but correctly detected trigger or argument should receive high gains -- while the traditional RL models usually neglect such differences and pay equal attention on all instances. Moreover, our experiments also demonstrate that the proposed framework outperforms state-of-the-art methods, without explicit feature engineering.