5,130 research outputs found
Towards quantum-chemical method development for arbitrary basis functions
We present the design of a flexible quantum-chemical method development
framework, which supports employing any type of basis function. This design has
been implemented in the light-weight program package molsturm, yielding a
basis-function-independent self-consistent field scheme. Versatile interfaces,
making use of open standards like python, mediate the integration of molsturm
with existing third-party packages. In this way both rapid extension of the
present set of methods for electronic structure calculations as well as adding
new basis function types can be readily achieved. This makes molsturm
well-suitable for testing novel approaches for discretising the electronic wave
function and allows comparing them to existing methods using the same software
stack. This is illustrated by two examples, an implementation of
coupled-cluster doubles as well as a gradient-free geometry optimisation, where
in both cases, an arbitrary basis functions could be used. molsturm is
open-source and can be obtained from https://molsturm.org.Comment: 15 pages and 7 figure
Inaugural Research Symposium
Inaugural Research Symposium 201
Letters to Messages â A Toolkit for Improved Visual Communication
The basis of this thesis was to solve a design problem: irrational and misleading visuals. Students of visual arts are increasingly expected to create visual presentations of their work. In-depth knowledge is not unconditionally essential for these students, however, it does bring a big advantage and reinforces other visual skills.
This thesis aims to inspire, educate and assist anyone who is using visual communication, but lacks formal training in graphic design. The aesthetic goal of this thesis is to bring out the beauty of functional, smart and witty design. Presented in the form of a book, the thesis discusses all stages in the process of creating visual communication â starting from the initial ideation, moving on through style choices, assembly of the elements into a finished end product, and its destination context.
The main conclusions to be drawn are related to context, interpretation and usability. The context â as final usage environment and pre-existent background of the audience â should be considered a defining factor throughout the process. Interpretation of visual communication is always subjective and affected by e.g. the viewerâs mindset, cultural background and personal taste. Visual interpretation is based on perception of properties, and encoding should include all elements of the entity. These theories are communicated through illustrations, which show the practical consequences of decisions in the process by giving comparisons.
The reader will achieve better visuals through an understanding of perception and interpretation. In addition to illustrations offering comparisons, the book also includes some association exercises to support the rational design process. The principles of this book can be applied to digital, printed and online work, such as portfolios, posters, publications, presentations and personal marketing material.UtgÄngslÀget för denna avhandling var att lösa ett designproblem: irrationell och förvirrande visuell kommunikation. Mera Àn tidigare förvÀntas studeranden inom konstÀmnen sjÀlv framstÀlla visuella presentationer av sina arbeten. För dessa studeranden Àr det inte nödvÀndigt att ha fördjupade kunskaper i grafisk design, men förstÄelse för visuell kommunikation Àr till en stor fördel och stÀrker övrigt visuellt kunnande.
Avhandlingens mÄlsÀttning Àr att inspirera, informera och hjÀlpa studeranden som utnyttjar visuell kommunikation, men saknar utbildning i grafisk design. Det estetiska mÄlet för arbetet Àr att att lyfta fram skönheten i praktisk, rationell och klipsk visuell formgivning. Min personliga avsikt var att fÄ kompletterande förstÄelse för Àmnet och samtidigt vidareutveckla min professionella identitet samt det egna uttrycket.
Avhandlingen, som presenteras i form av en bok, behandlar alla skeden i processen kring att skapa visuell kommunikation, frÄn den inledande idén till stilval, sammanstÀllning av elementen till ett fÀrdigt arbete och helhetens slutkontext. Semiotik, typografi och komposition presenteras genom en sammanfattning av sju litterÀra verk.
De slutsatser som kan dras Àr att slutkontexten bör fungera som utgÄngslÀge och motiverande faktor i alla val genom hela processen. Pragmatiska regler bör beaktas ifall det inte Àr ÀndamÄlsenligt och motiverat att skapa spÀnning. Tolkning av visuell kommunikation Àr alltid subjektivt och pÄverkas bland annat av ÄskÄdarens instÀllning, kulturella bakgrund och personliga smak. Komposition Àr relativt, och dÀrmed mÄste alla delar av arbetet behandlas individuellt och ses i relation till de övriga delarna. Teorierna kommuniceras via illustrationer, som erbjuder klara jÀmförelser av konsekvenserna för de val som ingÄr i processen.
LÀsaren fÄr redskap för framstÀllning av mera ÀndamÄlsenlig visuell kommunikation genom en bÀttre förstÄelse för perception och tolkning. Förutom illustrerade jÀmförelser erbjuder boken Àven nÄgra konkreta associationsövningar som stöder den rationella arbetsprocessen. Bokens innehÄll kan utnyttjas för tryckt, digitalt och internetbaserat material, sÄ som portfolier, planscher, publikationer, presentationer och personligt marknadsföringsmaterial.
Processen bakom skapandet av boken har varit extremt belönande: bÄde det teoretiska innehÄllet och det kreativa skapandet erbjöd mÄnga insikter och stunder av förtjusning. Fördelarna med lÄngsam bearbetning har förtydligats och arbetet har stÀrkt mitt förtroende för formgivningsprocessers fruktsamhet. Boken motsvarar mina vÀrderingar som formgivare och utgör ett genuint arbetsprov pÄ mitt estetiska uttryck
URSS Event Program Booklet 2016
This event program booklet contains a schedule of the event, list of awards, and student abstracts
Nonlinear Matrix Approximation with Radial Basis Function Components
We introduce and investigate matrix approximation by decomposition into a sum
of radial basis function (RBF) components. An RBF component is a generalization
of the outer product between a pair of vectors, where an RBF function replaces
the scalar multiplication between individual vector elements. Even though the
RBF functions are positive definite, the summation across components is not
restricted to convex combinations and allows us to compute the decomposition
for any real matrix that is not necessarily symmetric or positive definite. We
formulate the problem of seeking such a decomposition as an optimization
problem with a nonlinear and non-convex loss function. Several modern versions
of the gradient descent method, including their scalable stochastic
counterparts, are used to solve this problem. We provide extensive empirical
evidence of the effectiveness of the RBF decomposition and that of the
gradient-based fitting algorithm. While being conceptually motivated by
singular value decomposition (SVD), our proposed nonlinear counterpart
outperforms SVD by drastically reducing the memory required to approximate a
data matrix with the same L2 error for a wide range of matrix types. For
example, it leads to 2 to 6 times memory save for Gaussian noise, graph
adjacency matrices, and kernel matrices. Moreover, this proximity-based
decomposition can offer additional interpretability in applications that
involve, e.g., capturing the inner low-dimensional structure of the data,
retaining graph connectivity structure, and preserving the acutance of images
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