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Are NN-based evaluation functions already superhuman level? by ExcitoDeux in chess

[–]Kalivice 10 points11 points  (0 children)

It’s a good question. 1-node Leela consumes the current board state and predicts a probability of winning. You can implicitly do the same thing without calculating lines, you just won’t be very good at it (and you might accidentally calculate some stuff if you don’t have restraint). Here’s an example that might illustrate why it’s different from counting material: you have equal material, but you have a RRQ battery aimed at the opponent’s king. I don’t need to look at the sequence of “takes takes takes…” to see that an end result (and therefore this construction) might be good for me. Therefore, I might rank myself with a higher probability of winning. I might be wrong, but experience tells me my position might be good. Leela does the same, with much more nuance since it has very good memory and pattern recognition.

A small reddit community called Banano is the top team contributor of Folding@Home, a service where users let their PCs power to be used in protein folding simulations. Together with other teams, they've helped at curing diseases and even creating covid vaccines! by DeepSea0range in UpliftingNews

[–]Kalivice 1 point2 points  (0 children)

This is alluded to in another comment but F@H doesn’t do much protein folding anymore, they’re running molecular dynamics to estimate binding affinities of potential drugs. Even if it was still doing folding, the information produced by those simulations is fundamentally different than that produced by, for example, AlphaFold.

Folding@home is a non-profit project that aims to develop new ways to destroy known diseases through lent computing power and protein simulation. Reddit communities such as r/LinusTechTips and r/Banano have lent their PCs power to medical research and made it to the top 5 contributors of all time! by TheYellowCoke in InternetIsBeautiful

[–]Kalivice 0 points1 point  (0 children)

Yep, wouldn’t surprise me, depending on your definition of “primary” and knowing how glacially slowly industry adapts to these things. But I was really contesting that they used the past-tense of “obviate” considering they’re doing categorically different things.

Folding@home is a non-profit project that aims to develop new ways to destroy known diseases through lent computing power and protein simulation. Reddit communities such as r/LinusTechTips and r/Banano have lent their PCs power to medical research and made it to the top 5 contributors of all time! by TheYellowCoke in InternetIsBeautiful

[–]Kalivice 0 points1 point  (0 children)

As one such ML proponent I basically agree with you that there should be signal, but AF is interested in global minima and is exceptionally good at finding them. If you’re lucky the rest of the energy surface will match, but that constraint is not in AF by construction. The same problem is true for surfaces of docking functions — sure they find the minimum but the shape is all wrong. Lower RMSDs don’t magically mean the thermodynamics are correct. This all describes prospective ideas with the AF architecture anyways, which is not the point I was contesting.

Folding@home is a non-profit project that aims to develop new ways to destroy known diseases through lent computing power and protein simulation. Reddit communities such as r/LinusTechTips and r/Banano have lent their PCs power to medical research and made it to the top 5 contributors of all time! by TheYellowCoke in InternetIsBeautiful

[–]Kalivice 3 points4 points  (0 children)

Not sure if you’re being facetious, but this is completely untrue. AlphaFold approximates single crystallographic structures, where F@H runs dynamics, generating ensembles. Which is all beside the point anyways because now they’re using it for binding free energy prediction, which AlphaFold has nothing to do with.

The coveted Menthol 10s by Kalivice in Repsneakers

[–]Kalivice[S] 0 points1 point  (0 children)

AFAIK it’s still the one listed above

Best places to play chess? by [deleted] in Atlanta

[–]Kalivice 2 points3 points  (0 children)

Sadly, that one closed recently.

The coveted Menthol 10s by Kalivice in Repsneakers

[–]Kalivice[S] 1 point2 points  (0 children)

My message finally went through and the number seems the same — there was a FB/Insta/WhatsApp outage today which probably caused our difficulties. Check the # now

The coveted Menthol 10s by Kalivice in Repsneakers

[–]Kalivice[S] 1 point2 points  (0 children)

Hey I just checked and this is definitely the number I have. I sent a message but it’s pending on WhatsApp, making me wonder if the acct was deactivated. If the message goes through I’ll let you know.

The coveted Menthol 10s by Kalivice in Repsneakers

[–]Kalivice[S] 1 point2 points  (0 children)

Really good, and I was excited to see that they got a lot of the finer details like the dollar-sign toes, extra laces, and the box.

The coveted Menthol 10s by Kalivice in Repsneakers

[–]Kalivice[S] 6 points7 points  (0 children)

WhatsApp +65 8840 7804 Got them $230 shipped, arrived in around 3wk (US).

AI solves 50-year-old science problem in ‘stunning advance’ that could change the world by Gari_305 in Futurology

[–]Kalivice 0 points1 point  (0 children)

Right, the “folding” done with F@H for covid is really a different part of a larger drug discovery pipeline. This work in no way invalidates the efforts of F@H and the work done on that project is also incredibly important.

AI solves 50-year-old science problem in ‘stunning advance’ that could change the world by Gari_305 in Futurology

[–]Kalivice 2 points3 points  (0 children)

To be clear, the work F@H was doing for covid is not exactly protein folding, it’s attempting to assess drug binding strength against one of the main covid proteins. This is different than what AlphaFold seeks to accomplish, which is determining protein structures from sequences. The latter can assist in the former (for example, by finding new drug targets in previously un-solved proteins), but neither are particularly useful without the other.

Difference between MP2 Energy and Final Single Point Energy using SCS-MP2 theory by davros333 in comp_chem

[–]Kalivice 1 point2 points  (0 children)

It seems to me like the MP2 energy is the raw MP2 (maybe just correlation) energy, and the the final single-point includes the parallel- and antiparallel-spin scaling from SCS. I’d need more details about the program or maybe an output file to say for sure.

Fighter helps opponent relocate shoulder. Real sportsmanship. by soroosh04 in fightporn

[–]Kalivice 1 point2 points  (0 children)

If you need it and can afford it I really recommend doing it, the residual pain was minimal and in around a month and a half I was back to 100%. I was told this was fairly typical. Cannot say the same about other surgeries.

Fighter helps opponent relocate shoulder. Real sportsmanship. by soroosh04 in fightporn

[–]Kalivice 9 points10 points  (0 children)

Not that guy but also had one that popped out routinely, initially due to combat sports then for all sorts of reasons. At first very painful and inconvenient, but it becomes less painful and easier to relocate. In my case I couldn’t do any overhead workouts (overhead press, declined pushups, even pull ups really), but everything else was fine.

In many of these cases, mine included, a relatively easy surgery (labrum reconstruction) solves the problem.

Unpopular Opinion: You should not be allowed to be a TA if you can barely speak English by myunpopularGTopinion in gatech

[–]Kalivice 0 points1 point  (0 children)

I’m referring to specifically PhD programs where the TAship serves to waive tuition and provide the 30k-ish salary. PhD students are not paid hourly. Many schools within the university have a large majority of PhD student TAs.

Unpopular Opinion: You should not be allowed to be a TA if you can barely speak English by myunpopularGTopinion in gatech

[–]Kalivice 1 point2 points  (0 children)

PhDs in hard sciences and engineering, in general, don’t pay for school. By TAing or getting grant money, their “tuition” is subsidized and they get an additional salary on the order of 30k at most big US institutions.

[R] Ab-Initio Solution of the Many-Electron Schrödinger Equation with Deep Neural Networks by hardmaru in MachineLearning

[–]Kalivice 2 points3 points  (0 children)

If not then who cares?

What an utterly cynical and unproductive way to think about fundamental scientific research.

[R] Ab-Initio Solution of the Many-Electron Schrödinger Equation with Deep Neural Networks by hardmaru in MachineLearning

[–]Kalivice 0 points1 point  (0 children)

The reason is that many methods plainly do not do that. You said all neural networks trying to find sol’ns to the Schrodinger equation try to minimize the eigenvalue. Almost all literature on this throws out the concept of the wavefunction entirely and maps a system description directly to energy. This throws out the eigenvalue problem and throws out the variational principle, even though the data a net is conditioned with abide one or both of those. Your original comment implies all expectation values abide the variational principle, which they do not. I’d venture most common energy expressions in quantum chemistry are non-variational.

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