ZombieFeynman said:
Do all notions from finite dimensional vector spaces carry over to the infinite dimensional case? (Hint: no) How do you know which ones do and don't without rigorous mathematics? Cantor showed the intrinsic non-intuitiveness of sets with infinite and (moreso!) with uncountable cardinalities. I'd be seriously careful here.
I challenge you to prove that you can have two canonically conjugate matrices A and B in finite dimensional space (akin to momentum and position).
ie AB - BA is the identity, up to a constant.
Before you waste too much of your night on it, it's impossible. I double dog dare you to convince me of that without being...rigorous.
What physics does this model? Physics on a lattice? I remember reading an interesting paper on lattice models of spacetime, where strange things happened to the uncertainty principle because of the lattice. I will post the paper if you are interested.
But I contend that unless discrete position/momentum operators actually model something interesting, this problem would never cross my desk. If it did, it would probably go the way of the paper in reference and work out just fine, but not in the framework you described, because we must make different physical assumptions when working on a lattice.
Joriss: I've implemented numerous Monte Carlo simulations (I'm working on one right now), and it's a very intuitive, heuristic process. Indeed Monte Carlo methods are so enormously varied that there is little consistent theory and no strict forms for them to take, just various prescriptions for how one should design, generally speaking, the rejection/acceptance step. Symplectic integrator is an overly convoluted way of saying "obeys Hamilton's equations." Apart from a nice picture of how the phase space has no sinks or sources, to implement something like a Verlet integrator (something I recently used actually in a GPU driven simulation) you need absolutely no knowledge of differential geometry. Metadynamics using umbrella sampling is also a heuristic process, although I am less familiar with it (a colleague in the lab employs it for free energy calculations I believe); the paper you attached formally confirms physically motivated guidelines which have been empirically supported for decades. This is an example of one of the more amusing phenomena where pure mathematicians develop rigorous proofs ages after the methods are developed, casting doubt on the notion that the proofs are necessary at all. Of course Parinello is not a mathematician but a brilliant physicist who's made some great contributions, and I found his argument in the paper to be quite clever and delightful; it was a pleasure to read, and it's satisfying to see it formally proven. But it's minor at best. The only benefit the paper cites is that the conditions might be made more permissive, but the authors couldn't determine how this would effect the convergence rate.
I've heard of multi-scale coarsegraining. It's a very neat technique. The paper establishing it makes no reference to pure mathematics like functional analysis or algebraic topology. They use the variational principle, which is kosher in my book since it was first explored somewhere in the 18th-19th century by Euler before standards of rigor got utterly extreme. It seems you may have confused my attitude towards mathematics; I have no bone to pick with
applied mathematicians, I just feel extremely skeptical about pure, artsy maths. I'm not a Luddite about theory in general, I just have a lot of doubts about pure mathematics.
Finally I've heard of the Kullback Leibler divergence, but sadly I'm not very clever and it's too hard for me to understand in an evening. The jury is out on that one.
rubi: So ANSYS hires Applied mathematicians! Great. Applied mathematics departments seem to not always require their students to take pure math courses, at least in the random sample I looked in, where some schools had no pure math requirements (that I could see), some schools required 1/8 courses be pure math, and other schools required more. As I said I don't really have a beef with applied mathematicians, but notice how they don't want an MS in PURE mathematics! Also notice how a Computer Science or Engineering major would be completely acceptable; individuals who have probably never seen the inside of a real analysis textbook.
As for the LAPACK bibliography, well, all of the citations are from computational or applied mathematics journals, or applied books. Maybe there's one which sneaked past me when I skimmed it, but I didn't see, for instance, a citation from the AMS or a journal on pure PDE theory. Perhaps you share Joriss' confusion about my stance. Applied/computational mathematics departments generally seem productive and don't get my goat. There are varying levels of rigor in comp/applied departments so the jury is still out as to whether or not it is prevalent or important in FEA.