Lattice Database

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Leonides Suttle

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Aug 5, 2024, 12:36:10 AM8/5/24
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Latticeserves as the central hub for the Chan Zuckerberg Initiative's (CZI) Seed Networks, Pediatric Networks, and Ancestry Networks, all contributing to the Human Cell Atlas consortium. Their primary function is to collaborate with researchers in meticulously representing sample acquisition, experimental procedures, and data processing steps through structured metadata. This involves meticulously collecting and organizing metadata, raw data, and analysis outputs into the Lattice database, facilitating data sharing within and across networks prior to public release.

The Lattice team is dedicated to maximizing the accessibility and utility of data from these networks. Through focused efforts on improving findability and potential for reuse, they ensure the data's value is maximized. Collaboration with other single-cell data centers enables the transfer of standardized data from the Lattice database to open resources, facilitating seamless integration with community tools and broader data collections.


Furthermore, Lattice plays a crucial role in developing a cell-based schema in collaboration with CELLxGENE developers and computational biologists at the Chan Zuckerberg Initiative. This schema ensures consistency and reliability by standardizing key biological and technical variables relevant to single-cell data.


In addition, Lattice actively promotes data submission, encouraging the sharing and exploration of individual datasets. Their efforts ensure a harmonized data corpus, readily searchable, filterable, and integrated for efficient utilization.


Through these initiatives, Lattice empowers researchers within the Human Cell Atlas consortium, fostering collaboration and accelerating scientific progress in our understanding of human health and disease.


Well can't we consider the basis of a lattice problem an unstructured database, and the lattice point we are looking for the entry in that unstructured database? Could Grover's algorithm break lattice encryption?


The best attack on the exact shortest vector problem for an arbitrary lattice (to which essentially all lattice reduction attacks on lattice-based schemes reduce in some way) is some variant of sieving, and one can apply a Grover-style quantum search to speed it up, although the improvement is more modest than quadratic. Precisely, the best attack in dimension $n$ has heuristic classical complexity $2^0.292n + o(n)$ and heuristic quantum complexity $2^0.265n + o(n)$ (and both are provably optimal with existing techniques). So there is an improvement thanks to Grover, but not a very large one.


The standard reference is Thijs Laarhoven's Ph.D. thesis. See also this paper of Laarhoven, Mosca and van der Pol which is specifically devoted to the problem of estimating the improvement of sieving with quantum search (although with a slightly suboptimal variant of sieving, hence the slightly worse complexity estimates compared to the state of the art).


We calculated the electronic and magnetic properties of 180 full, 378 half and 408 inverse Heusler alloys using density-functional theory (DFT). Element selected for A, B and C atoms are listed below.


The calculations were performed using the Vienna Ab-Initio Simulation Package (VASP) which uses a plane wave basis set and projector-augmented wave (PAW) based pseudo-potentials. A uniform cut-off energy of 520eV was chosen for all calculations. The Perdew-Burke-Ernzerhof (PBE) version of the generalized gradient approximation (GGA) to the exchange correlation functional of DFT was adopted. The pseudo-potential version for each element is listed below. These pseudo-potentials were chosen to be consistent with those used to construct the OQMD database of calculated energies of alloy phases.


Heusler alloys are prone to having multiple DFT solutions with different magnetic configurations. Therefore all energy versus lattice constant calculations were performed using multiple initial magnetic moment configurations, no moment, parallel moments and anti-parallel moments of the transition metal atoms.


The ground state of the Heusler alloy was determined by analyzing the results of the relaxation and cubic studies. For CoMnAl (Fig. 1), the Heusler alloy is stable when its lattice constants is 5.46 and the magnetic configuration of the A and B atoms is ferrimagnetic.


The formation energy per atom for each of the Heusler alloys was calculated by subtracting the energies of the individual elements in pure form from the alloy's total energy. For full Heusler A2BC, the formation energy per atoms is:


where EA2BC is the total energy of the full Heusler unit cell containing 4 atoms (two A, one B, one C), EA, EB and EC stand for the energies when A, B, C, X, Y and Z elements crystallize in pure metals, respectively. If the formation energy per atoms is positive, the alloy is unstable and cannot be formed in equilibrium conditions. Negative formation energy per atom suggests that such an alloy may be grown. However, negative formation energy does not, for example, guarantee against formation of binary or ternary phases comprising any two or three of the available three elements. The reference states for the elements were chosen to be consistent with the OQMD database so that formation energies in this database can be compared to those of competing phases in the OQMD database.


To begin a search, select an A element, B element and C element, or any combination thereof. Note that not every column must have a selection. For example, a selection of Ti for the B element will display every material in the database which has titanium in the B position, as pictured below.


Once a material has been selected, its information will be displayed. Every material in the database will display the OQMD interface option. Clicking on the OQMD interface title will toggle the interface. To display the OQMD website in its own tab, select the pop-out icon.


Enter the material in question into the search box within the OQMD interface and select submit. This will display a table of phases and formation energies (you may need to scroll down to view it). As of now, the OQMD website does not allow new phases to be entered to for GCLP calculations. We recommend replacing the highest positive formation energy found in the OQMD table with the value found in the Heusler database. Enter the phase and new formation energy found in the Heusler database and select re-evaluate to see updated information. For further information, consult the OQMD documentation.


This page offers a concise index of common crystal lattice structures. A graphical representation as well as useful information about the lattices can be obtained by clicking on the desired structure below.


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3. Understand your true value. Business people mostly have great respect for scientists, but they rarely understand what scientists can actually bring to them. It is natural for them to think about advanced technical skills, but this largely misses the key points of your experience and makes you an expensive luxury. Moreover, many very sophisticated analytical tools are freely available to download today, and any school kid can install them and do impressive stuff with them. What can you do that they can't? Your key strength is having worked in a very challenging and competitive research environment. This is especially important because, today, the most valuable business projects are becoming increasingly similar to research projects, although few people are ready to admit it... In fact, today, a single project, run by a small team, might be able to disrupt an entire industry and bring immense ROI (return of investment). The flip side of this phenomenon is a very large number of projects that fail to bring the expected value, mostly because they turn out obsolete before they complete. This state of affairs is a relatively new phenomenon in the business world, but it is the standard scenario in research. To succeed in this context it is not enough to estimate the risks and plan "remediation activities": we need to design for projects that almost certainly will change completely their goal along the way; we must plan abundant redundancy and very little dependencies; we should not look for people with sophisticated skills, but people with extremely solid basis, people who are not only able to use tools, but able to assess their reliability, people able to see the big picture as well as all the technical details, people who did gain reputation with their specialty, but are not afraid of entering the details of any specialty; people who can read scientific literature of any kind, to get what they need; people who know how not to reinvent the wheel; people able to judge when it is the right time to change plan: neither too early nor too late. In brief, we need excellent researchers. I would not recommend using this argument in an interview: the misconceptions about the research world are still too many, but you should be aware of your long term value to plan your career.


4. Learn the language of skills and tools. What I said above is between you and me: you will not get a job with that argument alone. In order to trigger the interest of the business world you have to show experience with the appropriate tools. This is fair, actually, because if you have only used C, Fortran and MPI, it means that you have no interest in the business world and they cannot imagine how many other things they will have to introduce you to. This does not mean that you have to try all the latest fashions about tools, but you should definitely be familiar with SQL, Hadoop, the main cloud computing services, the basics of database management, and the main machine learning methods. You should also know which vendors are dominant in which services. Knowing the vendors and their products is as important in business as it is knowing the literature in the academia. Note also that CVs are often filtered by keywords based on tools and vendor names. I know this is nonsense, but you have to be aware of that.

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