pinecone/core-2020-05-10-deduplication huggingface dataset:
The New Resonating Valence Bond Method for Ab-Initio Electronic
  Simulations

The Resonating Valence Bond theory of the chemical bond was introduced soon
after the discovery of quantum mechanics and has contributed to explain the
role of electron correlation within a particularly simple and intuitive
approach where the chemical bond between two nearby atoms is described by one
or more singlet electron pairs. In this chapter Pauling's resonating valence
bond theory of the chemical bond is revisited within a new formulation,
introduced by P.W. Anderson after the discovery of High-Tc superconductivity.
It is shown that this intuitive picture of electron correlation becomes now
practical and efficient, since it allows us to faithfully exploit the locality
of the electron correlation, and to describe several new phases of matter, such
as Mott insulators, High-Tc superconductors, and spin liquid phases
On Some Open Problems in Many-Electron Theory

Mel Levy and Elliott Lieb are two of the most prominent researchers who have
dedicated their efforts to the investigation of fundamental questions in
many-electron theory. Their results have not only revolutionized the
theoretical approach of the field, but, directly or indirectly, allowed for a
quantum jump in the computational treatment of realistic systems as well. For
this reason, at the conclusion of our book where the subject is treated across
different disciplines, we have asked Mel Levy and Elliott Lieb to provide us
with some open problems, which they believe will be a worth challenge for the
future also in the perspective of a synergy among the various disciplines.Comment: "Epilogue" chapter in "Many-Electron Approaches in Physics, Chemistry
  and Mathematics: A Multidisciplinary View", Volker Bach and Luigi Delle Site
  Eds. pages 411-416; Book Series: Mathematical Physics Studies, Springer
  International Publishing Switzerland, 2014. The original title has been
  modified in order to clarify the subject of the chapter out of the context of
  the boo
Tensor Product Approximation (DMRG) and Coupled Cluster method in
  Quantum Chemistry

We present the Copupled Cluster (CC) method and the Density matrix
Renormalization Grooup (DMRG) method in a unified way, from the perspective of
recent developments in tensor product approximation. We present an introduction
into recently developed hierarchical tensor representations, in particular
tensor trains which are matrix product states in physics language. The discrete
equations of full CI approximation applied to the electronic Schr\"odinger
equation is casted into a tensorial framework in form of the second
quantization. A further approximation is performed afterwards by tensor
approximation within a hierarchical format or equivalently a tree tensor
network. We establish the (differential) geometry of low rank hierarchical
tensors and apply the Driac Frenkel principle to reduce the original
high-dimensional problem to low dimensions. The DMRG algorithm is established
as an optimization method in this format with alternating directional search.
We briefly introduce the CC method and refer to our theoretical results. We
compare this approach in the present discrete formulation with the CC method
and its underlying exponential parametrization.Comment: 15 pages, 3 figure
When Equivalence and Bisimulation Join Forces in Probabilistic Automata

Probabilistic automata were introduced by Rabin in 1963 as language acceptors. Two automata are equivalent if and only if they accept each word with the same probability. On the other side, in the process algebra community, probabilistic automata were re-proposed by Segala in 1995 which are more general than Rabin’s automata. Bisimulations have been proposed for Segala’s automata to characterize the equivalence between them. So far the two notions of equivalences and their characteristics have been studied most independently. In this paper, we consider Segala’s automata, and propose a novel notion of distribution-based bisimulation by joining the existing equivalence and bisimilarities. Our bisimulation bridges the two closely related concepts in the community, and provides a uniform way of studying their characteristics. We demonstrate the utility of our definition by studying distribution-based bisimulation metrics, which gives rise to a robust notion of equivalence for Rabin’s automata
Flexible Invariants Through Semantic Collaboration

Modular reasoning about class invariants is challenging in the presence of
dependencies among collaborating objects that need to maintain global
consistency. This paper presents semantic collaboration: a novel methodology to
specify and reason about class invariants of sequential object-oriented
programs, which models dependencies between collaborating objects by semantic
means. Combined with a simple ownership mechanism and useful default schemes,
semantic collaboration achieves the flexibility necessary to reason about
complicated inter-object dependencies but requires limited annotation burden
when applied to standard specification patterns. The methodology is implemented
in AutoProof, our program verifier for the Eiffel programming language (but it
is applicable to any language supporting some form of representation
invariants). An evaluation on several challenge problems proposed in the
literature demonstrates that it can handle a variety of idiomatic collaboration
patterns, and is more widely applicable than the existing invariant
methodologies.Comment: 22 page
Bug reproduction: A collaborative practice within software maintenance activities

Software development settings provide a great opportunity for CSCW researchers to study collaborative work. In this paper, we explore a specific work practice called bug reproduction that is a part of the software bug-fixing process. Bug reproduction is a highly collaborative process by which software developers attempt to locally replicate the ‘environment’ within which a bug was originally encountered. Customers, who encounter bugs in their everyday use of systems, play an important role in bug reproduction as they provide useful information to developers, in the form of steps for reproduction, software screenshots, trace logs, and other ways to describe a problem. Bug reproduction, however, poses major hurdles in software maintenance as it is often challenging to replicate the contextual aspects that are at play at the customers’ end. To study the bug reproduction process from a human-centered perspective, we carried out an ethnographic study at a multinational engineering company. Using semi-structured interviews, a questionnaire and half-a-day observation of sixteen software developers working on different software maintenance projects, we studied bug reproduction. In this paper, we present a holistic view of bug reproduction practices from a real-world setting and discuss implications for designing tools to address the challenges developers face during bug reproduction
Designing national electronic services in the public healthcare sector.

Papers 2 and 5 of this thesis are not available in Munin<br> 2. Larsen, E. and LK. Johannessen (2014), 'Top-down or bottom-up? Building information system for healthcare', (manuscript)<br> 5. Larsen, E. and G. Ellingsen (2014) 'Nothing free about free market', Rossitto, C. et al. (eds.), COOP Proceedings of the 11th International Conference on the Design of Cooperative Systems: COOP 2014 Nice, France, May 27 – 30, Proceedings of the 11th International Conference on the Design of Cooperative Systems, Springer: 69-85. Available at <a href=http://dx.doi.org/10.1007/978-3-319-06498-7_5>http://dx.doi.org/10.1007/978-3-319-06498-7_5</a>This thesis deals with a socio-technical approach towards the development of inter-organisational ICT tools in healthcare. My overall case is Norwegian healthcare, and I investigated how national inter-organisational ICT tools were developed and why good results were difficult to achieve. Three public projects make up the basis of my data collection in which the main categories of data are interviews, participant observations and document studies. The data collection period spanned 2005 to the completion of this thesis.
The main contribution of this thesis is the empirical insight into the long-standing establishment of inter-organisational health care services in Norway, a country that is characterised primarily by a publicly funded healthcare system. Studying this domain have demanded an inter-disciplinary approach because of the need to understand work practices, the implications of development and the complexities of information infrastructures, financing, project management, political governance and political philosophies.
This study demonstrates how the strategies adopted by Norwegian authorities have changed. These strategies began as measures for invigorating the sector through the funding of public projects that establish specifications which vendors can use in developing new services. The strategies have transitioned into a top-down approach, with the Directorate of Health as the dominant stakeholder in a dedicated and specialised market. The recent strategy represents an approach that prioritises projects in a political process instead of basing such projects in extensive discussions in the healthcare sector.
On the basis of the results, I suggest that a middle position be adopted in organising large-scale projects on integrated information systems. Such a strategy will give more power to the users of the information system. I believe that in real-world settings, a step-by-step strategy is favourable but requires good conditions for continued growth. Critical tasks are to break down large projects into a series of smaller ones, prioritise direct business value and assemble stable, full-time and cross-functional teams that execute these projects along a disciplined agile and optimisation approach
Of Corals and Web Portals: Towards a Digital Representation of Risk for the Cold-Water Corals in the Oil and Gas Sector

Increasing efficiency by improving the locomotion
methods is a key issue for underwater robots. Hence, an
accurate dynamic model is important for both controller design
and efficient locomotion methods. This paper presents a model
of the kinematics and dynamics of a planar, underwater snake
robot aimed at control design. Fluid contact forces and torques
are modeled using analytical fluid dynamics. The model is
derived in a closed form and can be utilized in modern
model-based control schemes. The proposed model is easily
implemented and simulated, regardless of the number of robot
links. Simulation results with a ten link robotic system are
presented.(c) 2014 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other users, including reprinting/ republishing this material for advertising or promotional purposes, creating new collective works for resale or redistribution to servers or lists, or reuse of any copyrighted components of this work in other works
A Case Study of an Information Infrastructure Supporting Knowledge Work in Oil and Gas Exploration

author file
embargo 03 Jun 2015It is well rehearsed in the fields of CSCW and IS that the relationship between the social and the material is bi-directional and shaped locally. But what happens when knowledge work is stretched across space and time, and the practice of today relies on actions and reflections done elsewhere and at different times? This paper presents an on-going case study of oil and gas exploration that takes steps to shed light on this emerging issue. I argue the relevance of framing the process of generating interpretations in oil and gas exploration in terms of information infrastructures. The case is representative for other cases where practitioners’ reflections cannot immediately be confirmed by empirical observation. Through a discussion on the concepts of coordination and accumulation across the dimensions of space and time, I outline how an able information infrastructure in this domain must balance the dualism of the concepts of naturalisation and historification
GPU-Based Parallel Integration of Large Numbers of Independent ODE
  Systems

The task of integrating a large number of independent ODE systems arises in
various scientific and engineering areas. For nonstiff systems, common explicit
integration algorithms can be used on GPUs, where individual GPU threads
concurrently integrate independent ODEs with different initial conditions or
parameters. One example is the fifth-order adaptive Runge-Kutta-Cash-Karp
(RKCK) algorithm. In the case of stiff ODEs, standard explicit algorithms
require impractically small time-step sizes for stability reasons, and implicit
algorithms are therefore commonly used instead to allow larger time steps and
reduce the computational expense. However, typical high-order implicit
algorithms based on backwards differentiation formulae (e.g., VODE, LSODE)
involve complex logical flow that causes severe thread divergence when
implemented on GPUs, limiting the performance. Therefore, alternate algorithms
are needed. A GPU-based Runge-Kutta-Chebyshev (RKC) algorithm can handle
moderate levels of stiffness and performs significantly faster than not only an
equivalent CPU version but also a CPU-based implicit algorithm (VODE) based on
results shown in the literature. In this chapter, we present the mathematical
background, implementation details, and source code for the RKCK and RKC
algorithms for use integrating large numbers of independent systems of ODEs on
GPUs. In addition, brief performance comparisons are shown for each algorithm,
demonstrating the potential benefit of moving to GPU-based ODE integrators.Comment: 21 pages, 2 figure
Efficiently Depth-First Minimal Pattern Mining

International audienceCondensed representations have been studied extensively for 15 years. In particular, the maximal patterns of the equivalence classes have received much attention with very general proposals. In contrast, the minimal patterns remained in the shadows in particular because of their difficult extraction. In this paper, we present a generic framework for minimal patterns mining by introducing the concept of minimizable set system. This framework addresses various languages such as itemsets or strings, and at the same time, different metrics such as frequency. For instance, the free and the essential patterns are naturally handled by our approach, just as the minimal strings. Then, for any minimizable set system, we introduce a fast minimality check that is easy to incorporate in a depth-first search algorithm for mining the minimal patterns. We demonstrate that it is polynomial-delay and polynomial-space. Experiments on traditional benchmarks complete our study
A Graph Matching Method for Historical Census Household Linkage

Linking historical census data across time is a challenging task due to various reasons, including data quality, limited individual information, and changes to households over time. Although most census data linking methods link records that correspond to individual household members, recent advances show that linking households as a whole provide more accurate results and less multiple household links. In this paper, we introduce a graph-based method to link households, which takes the structural relationship between household members into consideration. Based on individual record linking results, our method builds a graph for each household, so that the matches are determined by both attribute-level and record-relationship similarity. Our experimental results on both synthetic and real historical census data have validated the effectiveness of this method. The proposed method achieves an F-measure of 0.937 on data extracted from real UK census datasets, outperforming all alternative methods being compared.Full Tex
A fast secure dot product protocol with application to privacy preserving association rule mining

Data mining often causes privacy concerns. To ease the concerns, various privacy preserving data mining techniques have been proposed. However, those techniques are often too computationally intensive to be deployed in practice. Efficiency becomes a major challenge in privacy preserving data mining. In this paper we present an efficient secure dot product protocol and show its application in privacy preserving association rule mining, one of the most widely used data mining techniques. The protocol is orders of magnitude faster than previous protocols because it employs mostly cheap cryptographic operations, e.g. hashing and modular multiplication. The performance has been further improved by parallelization. We implemented the protocol and tested the performance. The test result shows that on moderate commodity hardware, the dot product of two vectors of size 1 million can be computed within 1 minute. As a comparison, the currently most widely used protocol needs about 1 hour and 23 minutes
Block products and nesting negations in FO2

This is a pre-copyedited version of a contribution published in Hirsch, E.  ...et al. (eds.) Computer Science - Theory and Applications. 9th International Computer Science Symposium in Russia, (CSR 2014), published by Springer International. The definitive authenticated version is available online via https://doi.org/10.1007/978-3-319-06686-8_14The alternation hierarchy in two-variable first-order logic FO 2 [∈ < ∈] over words was recently shown to be decidable by Kufleitner and Weil, and independently by Krebs and Straubing. In this paper we consider a similar hierarchy, reminiscent of the half levels of the dot-depth hierarchy or the Straubing-Thérien hierarchy. The fragment of FO 2 is defined by disallowing universal quantifiers and having at most m∈-∈1 nested negations. One can view as the formulas in FO 2 which have at most m blocks of quantifiers on every path of their parse tree, and the first block is existential. Thus, the m th level of the FO 2 -alternation hierarchy is the Boolean closure of. We give an effective characterization of, i.e., for every integer m one can decide whether a given regular language is definable by a two-variable first-order formula with negation nesting depth at most m. More precisely, for every m we give ω-terms U m and V m such that an FO 2 -definable language is in if and only if its ordered syntactic monoid satisfies the identity U m ∈V m. Among other techniques, the proof relies on an extension of block products to ordered monoids. © 2014 Springer International Publishing Switzerland
Human Motion Mapping to a Robot Arm with Redundancy Resolution

The problem of image based visual servoing for robots working in a dynamic environment is addressed in this paper. It is assumed that the environment is observed by depth sensors which allow to measure the distance between any moving obstacle and the robot. The main idea is to control suitable image moments during the interaction phase to relax a certain number of robot’s degrees of freedom. If an obstacle approaches the robot, the main visual servoing task is attenuated or completely abandoned while the image features are kept in the camera field of view by controlling the image moments. Fuzzy rules are used to set the reference values for the controller. Beside that, the relaxed redundancy of the robot is exploited to avoid collisions as well. After removing the risk of collision, the main visual servoing task is resumed. The effectiveness of the algorithm is shown by several case studies on a KUKA LWR 4 robot arm
Kinematic Modeling of an EAP Actuated Continuum Robot for Active Micro-endoscopy.

International audienceAn active micro-endoscope based on concentric tubes, an emerging class of continuum robots, is presented hereby. It is designed to reach the digestive tube and the stomach for early cancer detection and intervention. The manipulator is constructed from three flexible, telescopic, and actuated tubes. The actuators are based on Electro-Active Polymer electrodes coated and patterned around the tube. A full multi-section kinematic model is developed; it is used to compare the existing constant curvature configuration to the proposed micro-endoscope. That comparison is established according to the reachable workspace and the performance indices. The results are used to prove the effectiveness of the embedded actuation method to reach the workspace more dexterously, which is very useful in medical systems, especially in surgical applications
Function synthesis of the planar 5R mechanism using least squares approximation

In this paper, the problem of function generation synthesis of planar 5R
mechanism is studied using the least squares approximation method with equal
spacing of the design points. The study represents a case study for analytical function
generation of multi-degrees-of-freedom systems. The planar 5R mechanism is
designed with a fixed input joint and a moving input joint adjacent to the first input,
whereas the remaining fixed joint is the output joint. The input/output relationship
of the mechanism is expreseed as an objective function in polynomial form with
four unknown construction parameters. The objective function involves nonlinearities,
however the problem is linearized using Lagrange variables. The linear system
is solved and finally the construction parameters of the mechanism are determined.
A numerical example is presented as a case study
Communicating nascent design theories on innovative information systems through multi-grounded design principles

One central goal of design science research (DSR) is to generate, extract and communicate knowledge about the design of an artifact. Design sci- ence researchers ultimately strive to contribute knowledge in the form of mature design theories; mere descriptions of the artifacts are not regarded as sufficient contributions to knowledge anymore in scholarly publications. There is an increasing body of guidelines on how to produce and publish mature design theories. However, not every research project is in that state. To publish intermediate results (i.e. nascent theories), only general, abstract publication schemes can be found in the recent literature making it difficult to publish design knowledge at that intermediate level. In this paper, we contribute an extension of an exist- ing publication scheme, tailored towards the publication of such intermediate, work in progress design knowledge in the form of prescriptive design principles. This scheme was designed with respect to the complexity of today’s information systems IT artifacts. To demonstrate the scheme’s applicability, we will apply it to one of our recent scholarly publications in the CSCW area. We argue that this publication scheme extension will help to communicate design knowledge in earlier project stages, which allows a faster feedback to the knowledge base that will enable a broader community to participate in the “search process” for an optimal design solution
Call for action: Designing for harmony in creative teams

Competitive markets force diverse organizations to intensively manage innovation. Many of them set up multifunctional teams responsible for generating novel and original ideas. Such teams often face higher risk of conflicts and tensions, being an inherent part of creative processes. Impact of this phenomena on creative performance of teams, even though extensively addressed in research, remains unclarified. We approach this issue while providing a novel interpretation framework inspired by the concept of harmony in jazz improvisation. We apply it to observations made with project teams in an organizational setting, and use it to inform design of a supporting collaborative solution. We postulate the need for further work on team harmony and creativity