Atmospheric chemical reactions play an important role in air quality and climate change. While the structure and dynamics of individual chemical reactions are fairly well understood, the emergent properties of the entire atmospheric chemical system, which can involve many different species that participate in many different reactions, are not well described. In this work, we leverage graph-theoretic techniques to characterize patterns of interaction (“motifs”) in three different representations of gas-phase atmospheric chemistry, termed “chemical mechanisms.” These widely used mechanisms, the master chemical mechanism, the GEOS-Chem mechanism, and the Super-Fast mechanism, vary dramatically in scale and application, but they all generally aim to simulate the abundance and variability of chemical species in the atmosphere. This motif analysis quantifies the fundamental patterns of interaction within the mechanisms, which are directly related to their construction. For example, the gas-phase chemistry in the very small Super-Fast mechanism is entirely composed of bimolecular reactions, and its motif distribution matches that of an individual bimolecular reaction well. The larger and more complex mechanisms show emergent motif distributions that differ strongly from any specific reaction type, consistent with their complexity. The proposed motif analysis demonstrates that while these mechanisms all have a similar design goal, their higher-order structure of interactions differs strongly and thus provides a novel set of tools for exploring differences across chemical mechanisms.

The increased complexity of development projects surpass the capabilities of existing methods. While Model Based Systems Engineering pursues technically holistic approaches to realize complex products, aspects of organization as well as risk management, are still considered separately. The identification and management of risks are crucial in order to take suitable measures to minimize adverse effects on the project or the organization. To counter this, a new graph-based method and tool using AI, tailored to the needs of complex development projects and organizations is introduced here.

The research of parallel mechanism (PM) configuration involves many problems. From topology to configuration, dimensional constraint, etc., how to establish the relationship between topology and configuration with effective methods is a long-term challenge for the configuration design. In this paper, the chemical molecular spatial structure (CMSS) is linked with the configuration of symmetrical parallel mechanism (SPM). Starting from the methane molecule (CH4), a spatial structural topological relation is obtained. Based on graph theory and the spatial structural topological relation, a new expression method with topological graph and its kinematic pair adjacency matrix for spatial SPM is proposed. Then, the expression and analysis for the characteristics of spatial SPM are obtained. Finally, by taking the 3-RPS PM and the 3-RRC PM as examples, the effectiveness and corresponding consistency of the proposed expression method are successfully verified. The proposed new expression method paves the way for the subsequent digital and automated design and analysis of the SPM configuration.

We show that for a fixed $q$, the number of $q$-ary $t$-error correcting codes of length $n$ is at most $2^{(1 + o(1)) H_q(n,t)}$ for all $t \leq (1 - q^{-1})n - 2\sqrt{n \log n}$, where $H_q(n, t) = q^n/ V_q(n,t)$ is the Hamming bound and $V_q(n,t)$ is the cardinality of the radius $t$ Hamming ball. This proves a conjecture of Balogh, Treglown, and Wagner, who showed the result for $t = o(n^{1/3} (\log n)^{-2/3})$.

Let $G=(V,E)$ be a countable graph. The Bunkbed graph of $G$ is the product graph $G \times K_2$ , which has vertex set $V\times \{0,1\}$ with “horizontal” edges inherited from $G$ and additional “vertical” edges connecting $(w,0)$ and $(w,1)$ for each $w \in V$ . Kasteleyn’s Bunkbed conjecture states that for each $u,v \in V$ and $p\in [0,1]$ , the vertex $(u,0)$ is at least as likely to be connected to $(v,0)$ as to $(v,1)$ under Bernoulli- $p$ bond percolation on the bunkbed graph. We prove that the conjecture holds in the $p \uparrow 1$ limit in the sense that for each finite graph $G$ there exists $\varepsilon (G)\gt 0$ such that the bunkbed conjecture holds for $p \geqslant 1-\varepsilon (G)$ .

The characterization of the three-dimensional arrangement of dislocations is important for many analyses in materials science. Dislocation tomography in transmission electron microscopy is conventionally accomplished through intensity-based reconstruction algorithms. Although such methods work successfully, a disadvantage is that they require many images to be collected over a large tilt range. Here, we present an alternative, semi-automated object-based approach that reduces the data collection requirements by drawing on the prior knowledge that dislocations are line objects. Our approach consists of three steps: (1) initial extraction of dislocation line objects from the individual frames, (2) alignment and matching of these objects across the frames in the tilt series, and (3) tomographic reconstruction to determine the full three-dimensional configuration of the dislocations. Drawing on innovations in graph theory, we employ a node-line segment representation for the dislocation lines and a novel arc-length mapping scheme to relate the dislocations to each other across the images in the tilt series. We demonstrate the method for a dataset collected from a dislocation network imaged by diffraction-contrast scanning transmission electron microscopy. Based on these results and a detailed uncertainty analysis for the algorithm, we discuss opportunities for optimizing data collection and further automating the method.

This paper aims at automatically generating dimensioned floorplans while considering constraints given by the users in the form of adjacency and connectivity graph. The obtained floorplans also satisfy boundary constraints where users will be asked to choose their preferred location based on cardinal and inter-cardinal directions. Further, spanning circulations are inserted within the generated floorplans. The larger aim of this research is to provide alternative architecturally feasible layouts to users which can be further refined by architects.

The Bollobás–Riordan (BR) polynomial [(2002), Math. Ann.323 81] is a universal polynomial invariant for ribbon graphs. We find an extension of this polynomial for a particular family of combinatorial objects, called rank 3 weakly coloured stranded graphs. Stranded graphs arise in the study of tensor models for quantum gravity in physics, and generalize graphs and ribbon graphs. We present a seven-variable polynomial invariant of these graphs, which obeys a contraction/deletion recursion relation similar to that of the Tutte and BR polynamials. However, it is defined on a much broader class of objects, and furthermore captures properties that are not encoded by the Tutte or BR polynomials.