
Ensemble Learning of CoarseGrained Molecular Dynamics Force Fields with a Kernel Approach
Gradientdomain machine learning (GDML) is an accurate and efficient app...
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When Explanations Lie: Why Modified BP Attribution Fails
Modified backpropagation methods are a popular group of attribution meth...
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Boltzmann Generators  Sampling Equilibrium States of ManyBody Systems with Deep Learning
Computing equilibrium states in condensedmatter manybody systems, such...
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Multiview Chirality
Given an arrangement of cameras A = {A_1,..., A_m}, the chiral domain of...
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Variational Selection of Features for Molecular Kinetics
The modeling of atomistic biomolecular simulations using kinetic models ...
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Duality Diagram Similarity: a generic framework for initialization selection in task transfer learning
In this paper, we tackle an open research question in transfer learning,...
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A kernelbased approach to molecular conformation analysis
We present a novel machine learning approach to understanding conformati...
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The Algonauts Project: A Platform for Communication between the Sciences of Biological and Artificial Intelligence
In the last decade, artificial intelligence (AI) models inspired by the ...
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Timelagged autoencoders: Deep learning of slow collective variables for molecular kinetics
Inspired by the success of deep learning techniques in the physical and ...
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VAMPnets: Deep learning of molecular kinetics
Here we develop a deep learning framework for molecular kinetics from mo...
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Variational approach for learning Markov processes from time series data
Inference, prediction and control of complex dynamical systems from time...
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Universal Reasoning, Rational Argumentation and HumanMachine Interaction
Classical higherorder logic, when utilized as a metalogic in which var...
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Compressive Estimation of a Stochastic Process with Unknown Autocorrelation Function
In this paper, we study the prediction of a circularly symmetric zerome...
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Spectral learning of dynamic systems from nonequilibrium data
Observable operator models (OOMs) and related models are one of the most...
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Variational Koopman models: slow collective variables and molecular kinetics from short offequilibrium simulations
Markov state models (MSMs) and Master equation models are popular approa...
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Systematic Verification of the Modal Logic Cube in Isabelle/HOL
We present an automated verification of the wellknown modal logic cube ...
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LeoPARD  A Generic Platform for the Implementation of HigherOrder Reasoners
LeoPARD supports the implementation of knowledge representation and reas...
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Kernel Sequential Monte Carlo
We propose kernel sequential Monte Carlo (KSMC), a framework for samplin...
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Sparse Proteomics Analysis  A compressed sensingbased approach for feature selection and classification of highdimensional proteomics mass spectrometry data
Background: Highthroughput proteomics techniques, such as mass spectrom...
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Matroid Regression
We propose an algebraic combinatorial method for solving large sparse li...
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Dualtokernel learning with ideals
In this paper, we propose a theory which unifies kernel learning and sym...
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Temporal Autoencoding Improves Generative Models of Time Series
Restricted Boltzmann Machines (RBMs) are generative models which can lea...
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The Shadows of a Cycle Cannot All Be Paths
A "shadow" of a subset S of Euclidean space is an orthogonal projection ...
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Obtaining errorminimizing estimates and universal entrywise error bounds for lowrank matrix completion
We propose a general framework for reconstructing and denoising single e...
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Coherence and sufficient sampling densities for reconstruction in compressed sensing
We give a new, very general, formulation of the compressed sensing probl...
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The Algebraic Combinatorial Approach for LowRank Matrix Completion
We present a novel algebraic combinatorial view on lowrank matrix compl...
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OpenCFU, a New Free and OpenSource Software to Count Cell Colonies and Other Circular Objects
Counting circular objects such as cell colonies is an important source o...
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Computation of the Hausdorff distance between sets of line segments in parallel
We show that the Hausdorff distance for two sets of nonintersecting lin...
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Robust and High Fidelity Mesh Denoising
This paper presents a simple and effective twostage mesh denoising algo...
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Mesh Denoising based on Normal Voting Tensor and Binary Optimization
This paper presents a tensor multiplication based smoothing algorithm th...
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Computing Principal Components Dynamically
In this paper we present closedform solutions for efficiently updating ...
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A generic and fast C++ optimization framework
The development of the mlpack C++ machine learning library (http://www.m...
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Designing and building the mlpack opensource machine learning library
mlpack is an opensource C++ machine learning library with an emphasis o...
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Random forward models and loglikelihoods in Bayesian inverse problems
We consider the use of randomised forward models and loglikelihoods wit...
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Mechanizing Principia LogicoMetaphysica in Functional Type Theory
Principia LogicoMetaphysica proposes a foundational logical theory for ...
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Digraph Polynomials for Counting Cycles and Paths
Many polynomial invariants are defined on graphs for encoding the combin...
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Recognizing Generalized Transmission Graphs of Line Segments and Circular Sectors
Suppose we have an arrangement A of n geometric objects x_1, ..., x_n ⊆R...
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TimeSpace TradeOffs for Computing Euclidean Minimum Spanning Trees
In the limitedworkspace model, we assume that the input of size n lies ...
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On the treewidth of triangulated 3manifolds
In graph theory, as well as in 3manifold topology, there exist several ...
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On the Gaussian Multiple Access Wiretap Channel and the Gaussian Wiretap Channel with a Helper: Achievable Schemes and Upper Bounds
We study deterministic approximations of the Gaussian twouser multiple ...
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A Community's Perspective on the Status and Future of Peer Review in Software Engineering
Context: Prepublication peer review of scientific articles is considere...
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Combinatorial and Asymptotical Results on the Neighborhood Grid
In 2009, Joselli et al introduced the Neighborhood Grid data structure f...
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Delay Evaluation of OpenFlow Network Based on Queueing Model
As one of the most popular southbound protocol of softwaredefined netw...
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FAMOUS: Fast Approximate string Matching using OptimUm search Schemes
Finding approximate occurrences of a pattern in a text using a fulltext...
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Research performance of UNU  A bibliometric analysis of the United Nations University
The scientific paper output of the United Nations University (UNU) was b...
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Placing your Coins on a Shelf
We consider the problem of packing a family of disks "on a shelf", that ...
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Five Proofs of Chernoff's Bound with Applications
We discuss five ways of proving Chernoff's bound and show how they lead ...
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Stabbing pairwise intersecting disks by five points
We present an O(n) expected time algorithm and an O(n n) deterministic ...
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Hierarchical restricted isometry property for Kronecker product measurements
Hierarchically sparse signals and Kronecker product structured measureme...
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CoDiNA: an RPackage for Coexpression Differential Network Analysis in n Dimensions
Biological and Medical science is increasingly acknowledging the use of ...
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Freie Universität Berlin
The Free University is one of the eleven German universities that successfully completed all three funding lines in 2012 in the Excellence Initiative of the Federal Government and the Länder. It offers over 150 courses in twelve departments and three central institutes.