Inference in particle tracking experiments by passing messages between images

Methods to extract information from the tracking of mobile objects/particles have broad interest in biological and physical sciences. Techniques based on simple criteria of proximity in time-consecutive snapshots are useful to identify the trajectories of the particles. However, they become problematic as the motility and/or the density of the particles increases due to uncertainties on the trajectories that particles followed during the images' acquisition time. Here, we report an efficient method for learning parameters of the dynamics of the particles from their positions in time-consecutive images. Our algorithm belongs to the class of message-passing algorithms, known in computer science, information theory and statistical physics as Belief Propagation (BP). The algorithm is distributed, thus allowing parallel implementation suitable for computations on multiple machines without significant inter-machine overhead. We test our method on the model example of particle tracking in turbulent flows, which is particularly challenging due to the strong transport that those flows produce. Our numerical experiments show that the BP algorithm compares in quality with exact Markov Chain Monte-Carlo algorithms, yet BP is far superior in speed. We also suggest and analyze a random-distance model that provides theoretical justification for BP accuracy. Methods developed here systematically formulate the problem of particle tracking and provide fast and reliable tools for its extensive range of applications.Comment: 18 pages, 9 figure

Counting solutions from finite samplings

We formulate the solution counting problem within the framework of inverse Ising problem and use fast belief propagation equations to estimate the entropy whose value provides an estimate on the true one. We test this idea on both diluted models (random 2-SAT and 3-SAT problems) and fully-connected model (binary perceptron), and show that when the constraint density is small, this estimate can be very close to the true value. The information stored by the salamander retina under the natural movie stimuli can also be estimated and our result is consistent with that obtained by Monte Carlo method. Of particular significance is sizes of other metastable states for this real neuronal network are predicted.Comment: 9 pages, 4 figures and 1 table, further discussions adde

From one solution of a 3-satisfiability formula to a solution cluster: Frozen variables and entropy

A solution to a 3-satisfiability (3-SAT) formula can be expanded into a cluster, all other solutions of which are reachable from this one through a sequence of single-spin flips. Some variables in the solution cluster are frozen to the same spin values by one of two different mechanisms: frozen-core formation and long-range frustrations. While frozen cores are identified by a local whitening algorithm, long-range frustrations are very difficult to trace, and they make an entropic belief-propagation (BP) algorithm fail to converge. For BP to reach a fixed point the spin values of a tiny fraction of variables (chosen according to the whitening algorithm) are externally fixed during the iteration. From the calculated entropy values, we infer that, for a large random 3-SAT formula with constraint density close to the satisfiability threshold, the solutions obtained by the survey-propagation or the walksat algorithm belong neither to the most dominating clusters of the formula nor to the most abundant clusters. This work indicates that a single solution cluster of a random 3-SAT formula may have further community structures.Comment: 13 pages, 6 figures. Final version as published in PR

Exhaustive enumeration unveils clustering and freezing in random 3-SAT

We study geometrical properties of the complete set of solutions of the random 3-satisfiability problem. We show that even for moderate system sizes the number of clusters corresponds surprisingly well with the theoretic asymptotic prediction. We locate the freezing transition in the space of solutions which has been conjectured to be relevant in explaining the onset of computational hardness in random constraint satisfaction problems.Comment: 4 pages, 3 figure

Bit-Vector Model Counting using Statistical Estimation

Approximate model counting for bit-vector SMT formulas (generalizing \#SAT) has many applications such as probabilistic inference and quantitative information-flow security, but it is computationally difficult. Adding random parity constraints (XOR streamlining) and then checking satisfiability is an effective approximation technique, but it requires a prior hypothesis about the model count to produce useful results. We propose an approach inspired by statistical estimation to continually refine a probabilistic estimate of the model count for a formula, so that each XOR-streamlined query yields as much information as possible. We implement this approach, with an approximate probability model, as a wrapper around an off-the-shelf SMT solver or SAT solver. Experimental results show that the implementation is faster than the most similar previous approaches which used simpler refinement strategies. The technique also lets us model count formulas over floating-point constraints, which we demonstrate with an application to a vulnerability in differential privacy mechanisms

The INCREASE project: Intelligent Collections of food‐legume genetic resources for European agrofood systems

Food legumes are crucial for all agriculture-related societal challenges, including climate change mitigation, agrobiodiversity conservation, sustainable agriculture, food security and human health. The transition to plant-based diets, largely based on food legumes, could present major opportunities for adaptation and mitigation, generating significant co-benefits for human health. The characterization, maintenance and exploitation of food-legume genetic resources, to date largely unexploited, form the core development of both sustainable agriculture and a healthy food system. INCREASE will implement, on chickpea (Cicer arietinum), common bean (Phaseolus vulgaris), lentil (Lens culinaris) and lupin (Lupinus albus and L. mutabilis), a new approach to conserve, manage and characterize genetic resources. Intelligent Collections, consisting of nested core collections composed of single-seed descent-purified accessions (i.e., inbred lines), will be developed, exploiting germplasm available both from genebanks and on-farm and subjected to different levels of genotypic and phenotypic characterization. Phenotyping and gene discovery activities will meet, via a participatory approach, the needs of various actors, including breeders, scientists, farmers and agri-food and non-food industries, exploiting also the power of massive metabolomics and transcriptomics and of artificial intelligence and smart tools. Moreover, INCREASE will test, with a citizen science experiment, an innovative system of conservation and use of genetic resources based on a decentralized approach for data management and dynamic conservation. By promoting the use of food legumes, improving their quality, adaptation and yield and boosting the competitiveness of the agriculture and food sector, the INCREASE strategy will have a major impact on economy and society and represents a case study of integrative and participatory approaches towards conservation and exploitation of crop genetic resources

Designing patchy interactions to self-assemble arbitrary structures

One of the fundamental goals of nanotechnology is to exploit selective and directional interactions between molecules to design particles that self-assemble into desired structures, from capsids, to nanoclusters, to fully formed crystals with target properties (e.g., optical, mechanical, etc.). Here, we provide a general framework which transforms the inverse problem of self-assembly of colloidal crystals into a Boolean satisfiability problem for which solutions can be found numerically. Given a reference structure and the desired number of components, our approach produces designs for which the target structure is an energy minimum, and also allows us to exclude solutions that correspond to competing structures. We demonstrate the effectiveness of our approach by designing model particles that spontaneously nucleate milestone structures such as the cubic diamond, the pyrochlore, and the clathrate lattices

Cascade Synthesis of 3‑Functionalized Indoles from Nitrones and Their Conversion to Cycloheptanone-Fused Indoles

A cascade reaction of <i>N</i>-aryl-α,β-unsaturated nitrones and electron-deficient allenes has been discovered that allows single-step access to 3-functionalized indoles that usually require preformation and alkylation of an indole precursor. The heterocycles prepared through the hydrogen bond donor catalyzed cascade reaction are poised to undergo a McMurry coupling to form previously synthetically elusive cycloheptanone-fused indoles. The scope of these transformations is discussed as well as mechanistic experiments describing proposed intermediates of the cascade reaction and an initial catalytic asymmetric example that generates a carbon stereocenter during the cascade process