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Molecular representation learning lays the foundation for drug discovery. However, existing methods suffer from poor out-of-distribution (OOD) generalization, particularly when data for training and testing originate from different…

Machine Learning · Computer Science 2023-10-24 Xiang Zhuang , Qiang Zhang , Keyan Ding , Yatao Bian , Xiao Wang , Jingsong Lv , Hongyang Chen , Huajun Chen

(i) We point out that every local unitary circuit of depth smaller than the linear system size is easily distinguished from a global Haar random unitary if there is a conserved quantity that is a sum of local operators. This is always the…

Quantum Physics · Physics 2025-12-17 Jeongwan Haah

Probabilistic graphical models (PGMs) provide a compact representation of knowledge that can be queried in a flexible way: after learning the parameters of a graphical model once, new probabilistic queries can be answered at test time…

It is shown that a class of optical physical unclonable functions (PUFs) can be learned to arbitrary precision with arbitrarily high probability, even in the presence of noise, given access to polynomially many challenge-response pairs and…

Machine Learning · Computer Science 2023-09-08 Apollo Albright , Boris Gelfand , Michael Dixon

We consider the problem of efficiently enumerating the satisfying assignments to $\AC^0$ circuits. We give a zero-error randomized algorithm which takes an $\AC^0$ circuit as input and constructs a set of restrictions which partition…

Computational Complexity · Computer Science 2015-03-19 Russell Impagliazzo , William Matthews , Ramamohan Paturi

Standard supervised learning breaks down under data distribution shift. However, the principle of independent causal mechanisms (ICM, Peters et al. (2017)) can turn this weakness into an opportunity: one can take advantage of distribution…

Machine Learning · Computer Science 2021-02-09 Jens Müller , Robert Schmier , Lynton Ardizzone , Carsten Rother , Ullrich Köthe

Probabilistic Circuits (PCs) are prominent tractable probabilistic models, allowing for a range of exact inferences. This paper focuses on the main algorithm for training PCs, LearnSPN, a gold standard due to its efficiency, performance,…

Machine Learning · Computer Science 2024-03-22 Soroush Ghandi , Benjamin Quost , Cassio de Campos

We propose a distributed deep learning model to successfully learn control policies directly from high-dimensional sensory input using reinforcement learning. The model is based on the deep Q-network, a convolutional neural network trained…

Machine Learning · Computer Science 2015-10-16 Hao Yi Ong , Kevin Chavez , Augustus Hong

In this study, we address causal inference when only observational data and a valid causal ordering from the causal graph are available. We introduce a set of flow models that can recover component-wise, invertible transformation of…

Machine Learning · Computer Science 2024-12-16 Minh Khoa Le , Kien Do , Truyen Tran

It has been shown \citep{broeck90:physicalreview,patarnello87:europhys} that feedforward Boolean networks can learn to perform specific simple tasks and generalize well if only a subset of the learning examples is provided for learning.…

Neural and Evolutionary Computing · Computer Science 2019-11-12 Alireza Goudarzi , Christof Teuscher , Natali Gulbahce , Thimo Rohlf

Hamiltonian simulation on quantum computers is strongly constrained by gate counts, motivating techniques to reduce circuit depths. While tensor networks are natural competitors to quantum computers, we instead leverage them to support…

Quantum Physics · Physics 2025-06-04 Joe Gibbs , Lukasz Cincio

Reinforcement learning algorithms are typically designed for discrete-time dynamics, even though the underlying real-world control systems are often continuous in time. In this paper, we study the problem of continuous-time reinforcement…

Machine Learning · Computer Science 2026-03-03 Klemens Iten , Lenart Treven , Bhavya Sukhija , Florian Dörfler , Andreas Krause

We consider the problem of learning a discrete distribution in the presence of an $\epsilon$ fraction of malicious data sources. Specifically, we consider the setting where there is some underlying distribution, $p$, and each data source…

Machine Learning · Computer Science 2017-11-23 Mingda Qiao , Gregory Valiant

A framework to learn a multi-modal distribution is proposed, denoted as the Conditional Quantum Generative Adversarial Network (C-qGAN). The neural network structure is strictly within a quantum circuit and, as a consequence, is shown to…

Quantum Physics · Physics 2023-10-20 Salvatore Certo , Anh Pham , Nicolas Robles , Andrew Vlasic

Despite fundamental interests in learning quantum circuits, the existence of a computationally efficient algorithm for learning shallow quantum circuits remains an open question. Because shallow quantum circuits can generate distributions…

There has been much recent interest in understanding the continuum from adversarial to stochastic settings in online learning, with various frameworks including smoothed settings proposed to bridge this gap. We consider the more general and…

Machine Learning · Statistics 2025-06-19 Moïse Blanchard , Samory Kpotufe

In this paper, we address the problem of class-generalizable anomaly detection, where the objective is to develop a unified model by focusing our learning on the available normal data and a small amount of anomaly data in order to detect…

Machine Learning · Computer Science 2026-01-28 Padmaksha Roy , Lamine Mili , Almuatazbellah Boker

We present a transductive learning algorithm that takes as input training examples from a distribution $P$ and arbitrary (unlabeled) test examples, possibly chosen by an adversary. This is unlike prior work that assumes that test examples…

Machine Learning · Computer Science 2020-10-01 Shafi Goldwasser , Adam Tauman Kalai , Yael Tauman Kalai , Omar Montasser

Likelihood-free methods perform parameter inference in stochastic simulator models where evaluating the likelihood is intractable but sampling synthetic data is possible. One class of methods for this likelihood-free problem uses a…

Machine Learning · Statistics 2020-12-21 Conor Durkan , Iain Murray , George Papamakarios

Whereas diverse variations of diffusion models exist, extending the linear diffusion into a nonlinear diffusion process is investigated by very few works. The nonlinearity effect has been hardly understood, but intuitively, there would be…

Machine Learning · Computer Science 2022-10-14 Dongjun Kim , Byeonghu Na , Se Jung Kwon , Dongsoo Lee , Wanmo Kang , Il-Chul Moon