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Model structure and complexity selection remains a challenging problem in system identification, especially for parametric non-linear models. Many Evolutionary Algorithm (EA) based methods have been proposed in the literature for estimating…
Modeling a high-dimensional Hamiltonian system in reduced dimensions with respect to coarse-grained (CG) variables can greatly reduce computational cost and enable efficient bottom-up prediction of main features of the system for many…
Traditional graph representations are insufficient for modelling real-world phenomena involving multi-entity interactions, such as collaborative projects or protein complexes, necessitating the use of hypergraphs. While hypergraphs preserve…
Based on multiple simulation trajectories, which started from dispersively selected initial conformations, the weighted ensemble dynamics method is designed to robustly and systematically explore the hierarchical structure of complex…
Revealing the continuous dynamics on the networks is essential for understanding, predicting, and even controlling complex systems, but it is hard to learn and model the continuous network dynamics because of complex and unknown governing…
We propose the Gaussian-Linear Hidden Markov model (GLHMM), a generalisation of different types of HMMs commonly used in neuroscience. In short, the GLHMM is a general framework where linear regression is used to flexibly parameterise the…
Autoregressive models (ARMs) currently hold state-of-the-art performance in likelihood-based modeling of image and audio data. Generally, neural network based ARMs are designed to allow fast inference, but sampling from these models is…
The success of style-based generators largely benefits from style modulation, which helps take care of the cross-instance variation within data. However, the instance-wise stochasticity is typically introduced via regular convolution, where…
We introduce an approach for imposing physically informed inductive biases in learned simulation models. We combine graph networks with a differentiable ordinary differential equation integrator as a mechanism for predicting future states,…
This paper investigates Gaussian Markov random field approximations to nonstationary Gaussian fields using graph representations of stochastic partial differential equations. We establish approximation error guarantees building on the…
While generative adversarial networks (GANs) have revolutionized machine learning, a number of open questions remain to fully understand them and exploit their power. One of these questions is how to efficiently achieve proper diversity and…
The practical success of polynomial-time tensor network methods for computing ground states of certain quantum local Hamiltonians has recently been given a sound theoretical basis by Arad, Landau, Vazirani, and Vidick. The convergence…
Algebraic Multigrid (AMG) methods are often robust and effective solvers for solving the large and sparse linear systems that arise from discretized PDEs and other problems, relying on heuristic graph algorithms to achieve their…
We utilize connections between molecular coarse-graining approaches and implicit generative models in machine learning to describe a new framework for systematic molecular coarse-graining (CG). Focus is placed on the formalism encompassing…
We propose a simple tractable pair hidden Markov model for pairwise sequence alignment that accounts for the presence of short tandem repeats. Using the framework of gain functions, we design several optimization criteria for decoding this…
Probabilistic graphical models are traditionally known for their successes in generative modeling. In this work, we advocate layered graphical models (LGMs) for probabilistic discriminative learning. To this end, we design LGMs in close…
Multi-output regression models must exploit dependencies between outputs to maximise predictive performance. The application of Gaussian processes (GPs) to this setting typically yields models that are computationally demanding and have…
State-space estimation and tracking rely on accurate dynamical models to perform well. However, obtaining an vaccurate dynamical model for complex scenarios or adapting to changes in the system poses challenges to the estimation process.…
We study complexity of several problems related to the Transverse field Ising Model (TIM). First, we consider the problem of estimating the ground state energy known as the Local Hamiltonian Problem (LHP). It is shown that the LHP for TIM…
High-dimensional recordings of dynamical processes are often characterized by a much smaller set of effective variables, evolving on low-dimensional manifolds. Identifying these latent dynamics requires solving two intertwined problems:…