Complex network analysis of free-energy landscapes
Publications associées (33)
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Networks are central in the modeling and analysis of many large-scale human and technical systems, and they have applications in diverse fields such as computer science, biology, social sciences, and economics. Recently, network mining has been an active a ...
Over the past decade, investigations in different fields have focused on studying and understanding real networks, ranging from biological to social to technological. These networks, called complex networks, exhibit common topological features, such as a h ...
EPFL2013
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The energy transition currently taking place in Germany is recognised as being one of the most ambitious socio-technical transitions at the present time. Scholars have so far mostly studied the resilience of the current or future state of the energy system ...
Mining useful clusters from high dimensional data has received sig- nificant attention of the signal processing and machine learning com- munity in the recent years. Linear and non-linear dimensionality reduction has played an important role to overcome th ...
This work examines the conformational ensemble involved in beta-hairpin folding by means of advanced molecular dynamics simulations and dimensionality reduction. A fully atomistic description of the protein and the surrounding solvent molecules is used, an ...
Molecular crystals often exist in multiple competing polymorphs, showing significantly different physicochemical properties. Computational crystal structure prediction is key to interpret and guide the search for the most stable or useful form, a real chal ...
Making sense of concept maps is an ongoing challenge for the concept mapping community. This paper introduces a multi-level analysis strategy by combining quantitative and qualitative methods to triangulate changes in students’ concept maps. Quantitative a ...
Factor graph is a representative graphical model to handle uncertainty of random variables. Factor graph has been used in various application domains such as named entity recognition, social network analysis, and credibility evaluation. In this paper, we s ...
This thesis is concerned with the development, analysis and implementation of efficient reduced order models (ROMs) for the simulation and optimization of parametrized partial differential equations (PDEs). Indeed, since the high-fidelity approximation of ...
EPFL2015
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Mining useful clusters from high dimensional data has received significant attention of the computer vision and pattern recognition community in the recent years. Linear and non-linear dimensionality reduction has played an important role to overcome the c ...