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We propose a framework using normalizing-flow based models, SELF-Referencing Embedded Strings, and multi-objective optimization that efficiently generates small molecules. With an initial training set of only 100 small molecules, FastFlows…

Chemical Physics · Physics 2022-02-01 Nathan C. Frey , Vijay Gadepally , Bharath Ramsundar

The task of scene graph generation entails identifying object entities and their corresponding interaction predicates in a given image (or video). Due to the combinatorially large solution space, existing approaches to scene graph…

Computer Vision and Pattern Recognition · Computer Science 2022-07-28 Siddhesh Khandelwal , Leonid Sigal

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

Machine Learning · Computer Science 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler

Real-time motion detection in non-stationary scenes is a difficult task due to dynamic background, changing foreground appearance and limited computational resource. These challenges degrade the performance of the existing methods in…

Computer Vision and Pattern Recognition · Computer Science 2018-11-22 Junjie Huang , Wei Zou , Zheng Zhu , Jiagang Zhu

We present a framework for computing with input data specified by intervals, representing uncertainty in the values of the input parameters. To compute a solution, the algorithm can query the input parameters that yield more refined…

Data Structures and Algorithms · Computer Science 2015-03-19 Manoj Gupta , Yogish Sabharwal , Sandeep Sen

For general connections, the problem of finding network codes and optimizing resources for those codes is intrinsically difficult and little is known about its complexity. Most of the existing solutions rely on very restricted classes of…

Information Theory · Computer Science 2015-03-02 Ying Cui , Muriel Médard , Edmund Yeh , Douglas Leith , Ken Duffy

In this paper, we generalize the minimum flow decomposition problem (MFD) to incorporate uncertain edge capacities and tackle it from the perspective of robust optimization. In the classical flow decomposition problem, a network flow is…

Optimization and Control · Mathematics 2025-10-17 Moritz Stinzendörfer , Philine Schiewe , Fabricio Oliveira

Local thresholding algorithms were first presented more than a decade ago and have since been applied to a variety of data mining tasks in peer-to-peer systems, wireless sensor networks, and in grid systems. One critical assumption made by…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-04-09 Ran Wolff

The paper studies sequential reasoning over graph-structured data, which stands as a fundamental task in various trending fields like automated math problem solving and neural graph algorithm learning, attracting a lot of research interest.…

Artificial Intelligence · Computer Science 2024-12-13 Shuo Shi , Chao Peng , Chenyang Xu , Zhengfeng Yang

Flow matching casts sample generation as learning a continuous-time velocity field that transports noise to data. Existing flow matching networks typically predict each point's velocity independently, considering only its location and time…

Machine Learning · Computer Science 2025-11-11 Md Shahriar Rahim Siddiqui , Moshe Eliasof , Eldad Haber

Downsampling produces coarsened, multi-resolution representations of data and it is used, for example, to produce lossy compression and visualization of large images, reduce computational costs, and boost deep neural representation…

Machine Learning · Computer Science 2023-07-04 Davide Bacciu , Alessio Conte , Francesco Landolfi

We present a framework to use recently introduced Capsule Networks for solving the problem of Optical Flow, one of the fundamental computer vision tasks. Most of the existing state of the art deep architectures either uses a correlation…

Computer Vision and Pattern Recognition · Computer Science 2023-12-05 Rahul Chand , Rajat Arora , K Ram Prabhakar , R Venkatesh Babu

In this paper, we propose an algorithm to interpolate between a pair of images of a dynamic scene. While in the past years significant progress in frame interpolation has been made, current approaches are not able to handle images with…

Computer Vision and Pattern Recognition · Computer Science 2022-11-17 Pedro Figueirêdo , Avinash Paliwal , Nima Khademi Kalantari

Normalizing flows have shown great promise for modelling flexible probability distributions in a computationally tractable way. However, whilst data is often naturally described on Riemannian manifolds such as spheres, torii, and hyperbolic…

Machine Learning · Statistics 2020-12-10 Emile Mathieu , Maximilian Nickel

In this paper, we present a novel meshfree framework for fluid flow simulations on arbitrarily curved surfaces. First, we introduce a new meshfree Lagrangian framework to model flow on surfaces. Meshfree points or particles, which are used…

Numerical Analysis · Mathematics 2021-05-05 Pratik Suchde

We study the time-averaged flow in a model of particles that randomly hop on a finite directed graph. In the limit as the number of particles and the time window go to infinity but the graph remains finite, the large-deviation rate…

Statistical Mechanics · Physics 2020-12-02 Davide Gabrielli , D. R. Michiel Renger

An algorithm framework is proposed for minimizing nonsmooth functions. The framework is variable-metric in that, in each iteration, a step is computed using a symmetric positive definite matrix whose value is updated as in a quasi-Newton…

Optimization and Control · Mathematics 2019-02-05 Frank E. Curtis , Daniel P. Robinson , Baoyu Zhou

A metro-line crossing minimization problem is to draw multiple lines on an underlying graph that models stations and rail tracks so that the number of crossings of lines becomes minimum. It has several variations by adding restrictions on…

Data Structures and Algorithms · Computer Science 2013-06-18 Yoshio Okamoto , Yuichi Tatsu , Yushi Uno

All-Pairs Minimum Cut (APMC) is a fundamental graph problem that asks to find a minimum $s,t$-cut for every pair of vertices $s,t$. A recent line of work on fast algorithms for APMC has culminated with a reduction of APMC to…

Data Structures and Algorithms · Computer Science 2026-04-07 Yotam Kenneth-Mordoch , Robert Krauthgamer

The recently proposed generative flow networks (GFlowNets) are a method of training a policy to sample compositional discrete objects with probabilities proportional to a given reward via a sequence of actions. GFlowNets exploit the…

Machine Learning · Computer Science 2024-02-27 Daniil Tiapkin , Nikita Morozov , Alexey Naumov , Dmitry Vetrov
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