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We introduce a class of neural controlled differential equation inspired by quantum mechanics. Neural quantum controlled differential equations (NQDEs) model the dynamics by analogue of the Schr\"{o}dinger equation. Specifically, the hidden state represents the wave function, and its collapse leads to an interpretation of the classification probability. We implement and compare the results of four variants of NQDEs on a toy spiral classification problem.

Conditional independence (CI) testing is a fundamental task in modern statistics and machine learning. The conditional randomization test (CRT) was recently introduced to test whether two random variables, $X$ and $Y$, are conditionally independent given a potentially high-dimensional set of random variables, $Z$. The CRT operates exceptionally well under the assumption that the conditional distribution $X|Z$ is known. However, since this distribution is typically unknown in practice, accurately approximating it becomes crucial. In this paper, we propose using conditional diffusion models (CDMs) to learn the distribution of $X|Z$. Theoretically and empirically, it is shown that CDMs closely approximate the true conditional distribution. Furthermore, CDMs offer a more accurate approximation of $X|Z$ compared to GANs, potentially leading to a CRT that performs better than those based on GANs. To accommodate complex dependency structures, we utilize a computationally efficient classifier-based conditional mutual information (CMI) estimator as our test statistic. The proposed testing procedure performs effectively without requiring assumptions about specific distribution forms or feature dependencies, and is capable of handling mixed-type conditioning sets that include both continuous and discrete variables. Theoretical analysis shows that our proposed test achieves a valid control of the type I error. A series of experiments on synthetic data demonstrates that our new test effectively controls both type-I and type-II errors, even in high dimensional scenarios.

Sinkhorn algorithm is the de-facto standard approximation algorithm for optimal transport, which has been applied to a variety of applications, including image processing and natural language processing. In theory, the proof of its convergence follows from the convergence of the Sinkhorn--Knopp algorithm for the matrix scaling problem, and Altschuler et al. show that its worst-case time complexity is in near-linear time. Very recently, sequentially composed optimal transports were proposed by Watanabe and Isobe as a hierarchical extension of optimal transports. In this paper, we present an efficient approximation algorithm, namely Sinkhorn algorithm for sequentially composed optimal transports, for its entropic regularization. Furthermore, we present a theoretical analysis of the Sinkhorn algorithm, namely (i) its exponential convergence to the optimal solution with respect to the Hilbert pseudometric, and (ii) a worst-case complexity analysis for the case of one sequential composition.

Central to rough path theory is the signature transform of a path, an infinite series of tensors given by the iterated integrals of the underlying path. The signature poses an effective way to capture sequentially ordered information, thanks both to its rich analytic and algebraic properties as well as its universality when used as a basis to approximate functions on path space. Whilst a truncated version of the signature can be efficiently computed using Chen's identity, there is a lack of efficient methods for computing a sparse collection of iterated integrals contained in high levels of the signature. We address this problem by leveraging signature kernels, defined as the inner product of two signatures, and computable efficiently by means of PDE-based methods. By forming a filter in signature space with which to take kernels, one can effectively isolate specific groups of signature coefficients and, in particular, a singular coefficient at any depth of the transform. We show that such a filter can be expressed as a linear combination of suitable signature transforms and demonstrate empirically the effectiveness of our approach. To conclude, we give an example use case for sparse collections of signature coefficients based on the construction of N-step Euler schemes for sparse CDEs.

We introduce a novel approach for detecting distribution shifts that negatively impact the performance of machine learning models in continuous production environments, which requires no access to ground truth data labels. It builds upon the work of Podkopaev and Ramdas [2022], who address scenarios where labels are available for tracking model errors over time. Our solution extends this framework to work in the absence of labels, by employing a proxy for the true error. This proxy is derived using the predictions of a trained error estimator. Experiments show that our method has high power and false alarm control under various distribution shifts, including covariate and label shifts and natural shifts over geography and time.

Diffusion models, which employ stochastic differential equations to sample images through integrals, have emerged as a dominant class of generative models. However, the rationality of the diffusion process itself receives limited attention, leaving the question of whether the problem is well-posed and well-conditioned. In this paper, we explore a perplexing tendency of diffusion models: they often display the infinite Lipschitz property of the network with respect to time variable near the zero point. We provide theoretical proofs to illustrate the presence of infinite Lipschitz constants and empirical results to confirm it. The Lipschitz singularities pose a threat to the stability and accuracy during both the training and inference processes of diffusion models. Therefore, the mitigation of Lipschitz singularities holds great potential for enhancing the performance of diffusion models. To address this challenge, we propose a novel approach, dubbed E-TSDM, which alleviates the Lipschitz singularities of the diffusion model near the zero point of timesteps. Remarkably, our technique yields a substantial improvement in performance. Moreover, as a byproduct of our method, we achieve a dramatic reduction in the Fr\'echet Inception Distance of acceleration methods relying on network Lipschitz, including DDIM and DPM-Solver, by over 33%. Extensive experiments on diverse datasets validate our theory and method. Our work may advance the understanding of the general diffusion process, and also provide insights for the design of diffusion models.

Bayesian Optimization (BO) is a powerful method for optimizing black-box functions by combining prior knowledge with ongoing function evaluations. BO constructs a probabilistic surrogate model of the objective function given the covariates, which is in turn used to inform the selection of future evaluation points through an acquisition function. For smooth continuous search spaces, Gaussian Processes (GPs) are commonly used as the surrogate model as they offer analytical access to posterior predictive distributions, thus facilitating the computation and optimization of acquisition functions. However, in complex scenarios involving optimization over categorical or mixed covariate spaces, GPs may not be ideal. This paper introduces Simulation Based Bayesian Optimization (SBBO) as a novel approach to optimizing acquisition functions that only requires sampling-based access to posterior predictive distributions. SBBO allows the use of surrogate probabilistic models tailored for combinatorial spaces with discrete variables. Any Bayesian model in which posterior inference is carried out through Markov chain Monte Carlo can be selected as the surrogate model in SBBO. We demonstrate empirically the effectiveness of SBBO using various choices of surrogate models in applications involving combinatorial optimization. choices of surrogate models.

Taking a quotient roughly means changing the notion of equality on a given object, set or type. In a quantitative setting, equality naturally generalises to a distance, measuring how much elements are similar instead of just stating their equivalence. Hence, quotients can be understood quantitatively as a change of distance. In this paper, we show how, combining Lawvere's doctrines and the calculus of relations, one can unify quantitative and usual quotients in a common picture. More in detail, we introduce relational doctrines as a functorial description of (the core of) the calculus of relations. Then, we define quotients and a universal construction adding them to any relational doctrine, generalising the quotient completion of existential elementary doctrine and also recovering many quantitative examples. This construction deals with an intensional notion of quotient and breaks extensional equality of morphisms. Then, we describe another construction forcing extensionality, showing how it abstracts several notions of separation in metric and topological structures. Combining these two constructions, we get the extensional quotient completion, whose essential image is characterized through the notion of projective cover. As an application, we show that, under suitable conditions, relational doctrines of algebras arise as the extensional quotient completion of free algebras. Finally, we compare relational doctrines to other categorical structures where one can model the calculus of relations.

Disentangled Representation Learning (DRL) aims to learn a model capable of identifying and disentangling the underlying factors hidden in the observable data in representation form. The process of separating underlying factors of variation into variables with semantic meaning benefits in learning explainable representations of data, which imitates the meaningful understanding process of humans when observing an object or relation. As a general learning strategy, DRL has demonstrated its power in improving the model explainability, controlability, robustness, as well as generalization capacity in a wide range of scenarios such as computer vision, natural language processing, data mining etc. In this article, we comprehensively review DRL from various aspects including motivations, definitions, methodologies, evaluations, applications and model designs. We discuss works on DRL based on two well-recognized definitions, i.e., Intuitive Definition and Group Theory Definition. We further categorize the methodologies for DRL into four groups, i.e., Traditional Statistical Approaches, Variational Auto-encoder Based Approaches, Generative Adversarial Networks Based Approaches, Hierarchical Approaches and Other Approaches. We also analyze principles to design different DRL models that may benefit different tasks in practical applications. Finally, we point out challenges in DRL as well as potential research directions deserving future investigations. We believe this work may provide insights for promoting the DRL research in the community.

The dominant sequence transduction models are based on complex recurrent or convolutional neural networks in an encoder-decoder configuration. The best performing models also connect the encoder and decoder through an attention mechanism. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely. Experiments on two machine translation tasks show these models to be superior in quality while being more parallelizable and requiring significantly less time to train. Our model achieves 28.4 BLEU on the WMT 2014 English-to-German translation task, improving over the existing best results, including ensembles by over 2 BLEU. On the WMT 2014 English-to-French translation task, our model establishes a new single-model state-of-the-art BLEU score of 41.8 after training for 3.5 days on eight GPUs, a small fraction of the training costs of the best models from the literature. We show that the Transformer generalizes well to other tasks by applying it successfully to English constituency parsing both with large and limited training data.