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In order to efficiently explore the chemical space of all possible small molecules, a common approach is to compress the dimension of the system to facilitate downstream machine learning tasks. Towards this end, we present a data driven…
Network embedding leverages the node proximity manifested to learn a low-dimensional node vector representation for each node in the network. The learned embeddings could advance various learning tasks such as node classification, network…
Most real complex networks -- such as protein interactions, social contacts, the internet -- are only partially known and available to us. While the process of exploring such networks in many cases resembles a random walk, it becomes a key…
Finding a good clustering of vertices in a network, where vertices in the same cluster are more tightly connected than those in different clusters, is a useful, important, and well-studied task. Many clustering algorithms scale well,…
The simulation of complex stochastic network dynamics arising, for instance, from models of coupled biomolecular processes remains computationally challenging. Often, the necessity to scan a models' dynamics over a large parameter space…
Large relational-event history data stemming from large networks are becoming increasingly available due to recent technological developments (e.g. digital communication, online databases, etc). This opens many new doors to learning about…
In this work, we developed an efficient approach to compute ensemble averages in systems with pairwise-additive energetic interactions between the entities. Methods involving full enumeration of the configuration space result in exponential…
A new maximum approximate likelihood (ML) estimation algorithm for the mixture of Kent distribution is proposed. The new algorithm is constructed via the BSLM (block successive lower-bound maximization) framework and incorporates manifold…
Network alignment has extensive applications in comparative interactomics. Traditional approaches aim to simultaneously maximize the number of conserved edges and the underlying similarity of aligned entities. We propose a novel formulation…
As a potential alternative for implementing the large number of multiplications in convolutional neural networks (CNNs), approximate multipliers (AMs) promise both high hardware efficiency and accuracy. However, the characterization of…
Approximate Bayesian Computation (ABC) can be viewed as an analytic approximation of an intractable likelihood coupled with an elementary simulation step. Such a view, combined with a suitable instrumental prior distribution permits…
Percolation on networks is a common framework to model a wide range of processes, from cascading failures to epidemic spreading. Standard percolation assumes short-range interactions, implying that nodes can merge into clusters only if they…
In this work, we propose an adaptive sparse learning algorithm that can be applied to learn the physical processes and obtain a sparse representation of the solution given a large snapshot space. Assume that there is a rich class of…
I introduce several simplified schemes for the approximation of the self-consistency condition of the dynamical cluster approximation. The applicability of the schemes is tested numerically using the fluctuation-exchange approximation as a…
Complex networks pervade various real-world systems, from the natural environment to human societies. The essence of these networks is in their ability to transition and evolve from microscopic disorder-where network topology and node…
Many problems in machine learning can be solved by rounding the solution of an appropriate linear program (LP). This paper shows that we can recover solutions of comparable quality by rounding an approximate LP solution instead of the ex-…
Parameterized max-affine (PMA) and parameterized log-sum-exp (PLSE) networks are proposed for general decision-making problems. The proposed approximators generalize existing convex approximators, namely, max-affine (MA) and log-sum-exp…
Complex network theory crucially depends on the assumptions made about the degree distribution, while fitting degree distributions to network data is challenging, in particular for scale-free networks with power-law degrees. We present a…
Large language models (LLMs) demonstrate strong performance in math reasoning benchmarks, but their performance varies inconsistently across problems with varying levels of difficulty. This paper describes Adaptive Multi-Expert Reasoning…
The existing literature on stochastic simulation of chemical reaction networks has a tendency to move as quickly as possible to the abstract formulation of the stochastic dynamics in terms of probabilities based on the concept of the…