Machine learning the arXiv

Over the last year or so, the machine learning wave has really been sweeping through the field of condensed matter physics. Machine learning techniques have been applied to condensed matter physics before, but very sparsely and with little recognition. These days, I guess (partially) due to the general machine learning and AI hype, the amount of such studies skyrocketed (I admit to contributing to that..). I’ve been keeping track of this using the arXiv and Twitter (@Evert_v_N), but you should know about this website for getting an overview of the physics & machine learning papers: https://physicsml.github.io/pages/papers.html.

This effort of applying machine learning to physics is a serious attempt at trying to understand how such tools could be useful in a variety of ways. It isn’t very hard to get a neural network to learn ‘something’ from physics data, but it is really hard to find out what – and especially how – the network does that. That’s why toy cases such as the Ising model or the Kosterlitz-Thouless transition have been so important!

When you’re keeping track of machine learning and AI developments, you soon realize that there are examples out there of amazing feats. Being able to generate photo-realistic pictures given just a sentence. e.g. “a brown bird with golden speckles and red wings is sitting on a yellow flower with pointy petals”, is (I think..) pretty cool. I can’t help but wonder if we’ll get to a point where we can ask it to generate “the groundstate of the Heisenberg model on a Kagome lattice of 100×100”…

Another feat I want to mention, and the main motivation for this post, is that of being able to encode words as vectors. That doesn’t immediately seem like a big achievement, but it is once you want to have ‘similar’ words have ‘similar’ vectors. That is, you intuitively understand that Queen and King are very similar, but differ basically only in gender. Can we teach that to a computer (read: neural network) by just having it read some text? Turns out we can. The general encoding of words to vectors is aptly named ‘Word2Vec’, and some of the top algorithms that do that were introduced here (https://arxiv.org/abs/1301.3781) and here (https://arxiv.org/abs/1310.4546). The neat thing is that we can actually do arithmetics with these words encoded as vectors, so that the network learns (with no other input than text!):

  • King – Man + Woman = Queen
  • Paris – France + Italy = Rome

In that spirit, I wondered if we can achieve the same thing with physics jargon. Everyone knows, namely, that “electrons + two dimensions + magnetic field = Landau levels”. But is that clear from condensed matter titles?

Try it yourself

If you decide at this point that the rest of the blog is too long, at least have a look here: everthemore.pythonanywhere.com or skip to the last section. That website demonstrates the main point of this post. If that sparks your curiosity, read on!

This post is mainly for entertainment, and so a small disclaimer is in order: in all of the results below, I am sure things can be improved upon. Consider this a ‘proof of principle’. However, I would be thrilled to see what kind of trained models you can come up with yourself! So for that purpose, all of the code (plus some bonus content!) can be found on this github repository: https://github.com/everthemore/physics2vec.

Harvesting the arXiv

The perfect dataset for our endeavor can be found in the form of the arXiv. I’ve written a small script (see github repository) that harvests the titles of a given section from the arXiv. It also has options for getting the abstracts, but I’ll leave that for a separate investigation. Note that in principle we could also get the source-files of all of these papers, but doing that in bulk requires a payment; and getting them one by one will 1) take forever and 2) probably get us banned.

Collecting all this data of the physics:cond-mat subsection took right about 1.5 hours and resulted in 240737 titles and abstracts (I last ran this script on November 20th, 2017). I’ve filtered them by year and month, and you can see the result in Fig.1 below. Seems like we have some catching up to do in 2017 still (although as the inset shows, we have nothing to fear. November is almost over, but we still have the ‘getting things done before x-mas’ rush coming up!).

numpapers

Figure 1: The number of papers in the cond-mat arXiv section over the years. We’re behind, but the year isn’t over yet! (Data up to Nov 20th 2017)

Analyzing n-grams

After tidying up the titles (removing LaTeX, converting everything to lowercase, etc.), the next thing to do is to train a language model on finding n-grams. N-grams are basically fixed n-word expressions such as ‘cooper pair’ (bigram) or ‘metal insulator transition’ (trigram). This makes it easier to train a Word2Vec encoding, since these phrases are fixed and can be considered a single word. The python module we’ll use for Word2Vec is gensim (https://radimrehurek.com/gensim/), and it conveniently has phrase-detection built-in. The language model it builds reports back to us the n-grams it finds, and assigns them a score indicating how certain it is about them. Notice that this is not the same as how frequently it appears in the dataset. Hence an n-gram can appear fewer times than another, but have a higher certainty because it always appears in the same combination. For example, ‘de-haas-van-alphen’ appears less than, but is more certain than, ‘cooper-pair’, because ‘pair’ does not always come paired (pun intended) with ‘cooper’. I’ve analyzed up to 4-grams in the analysis below.

I can tell you’re curious by now to find out what some of the most certain n-grams in cond-mat are (again, these are not necessarily the most frequent), so here are some interesting findings:

  • The most certain n-grams are all surname combo’s, Affleck-Kennedy-Lieb-Tasaki being the number 1. Kugel-Khomskii is the most certain 2-name combo and Einstein-Podolksi-Rosen the most certain 3-name combo.
  • The first certain non-name n-gram is a ‘quartz tuning fork’, followed by a ‘superconducting coplanar waveguide resonator’. Who knew.
  • The bigram ‘phys. rev.’ and trigram ‘phys. rev. lett.’ are relatively high up in the confidence lists. These seem to come from the “Comment on […]”-titles on the arXiv.
  • I learned that there is such a thing as a Lefschetz thimble. I also learned that those things are called thimbles in English (we (in Holland) call them ‘finger-hats’!).

In terms of frequency however, which is probably more of interest to us, the most dominant n-grams are Two-dimensional, Quantum dot, Phase transition, Magnetic field, One dimensional and Bose-Einstein (in descending order). It seems 2D is still more popular than 1D, and all in all the top n-grams do a good job at ‘defining’ condensed matter physics. I’ll refer you to the github repository code if you want to see a full list! You’ll find there a piece of code that produces wordclouds from the dominant words and n-grams too, such as this one:

caltechwordcloud.png

For fun though, before we finally get to the Word2Vec encoding, I’ve also kept track of all of these as a function of year, so that we can now turn to finding out which bigrams have been gaining the most popularity. The table below shows the top 5 n-grams for the period 2010 – 2016 (not including 2017) and for the period 2015 – Nov 20th 2017.

2010-2016

2015 – November 20th 2017

Spin liquids  Topological phases & transitions
 Weyl semimetals  Spin chains
 Topological phases & transitions  Machine learning
 Surface states  Transition metal dichalcogenides
 Transition metal dichalcogenides  Thermal transport
 Many-body localization  Open quantum systems

Actually, the real number 5 in the left column was ‘Topological insulators’, but given number 3 I skipped it. Also, this top 5 includes a number 6 (!), which I just could not leave off given that everyone seems to have been working on MBL. If we really want to be early adopters though, taking only the last 1.8 years (2015 – now, Nov 20th 2017)  in the right column of the table shows some interesting newcomers. Surprisingly, many-body localization is not even in the top 20 anymore. Suffice it to say, if you have been working on anything topology-related, you have nothing to worry about. Machine learning is indeed gaining lots of attention, but we’ve yet to see if it doesn’t go the MBL-route (I certainly don’t hope so!). Quantum computing does not seem to be on the cond-mat radar, but I’m certain we would find that high up in the quant-ph arXiv section.

CondMat2Vec

Alright, finally time to use some actual neural networks for machine learning. As I started this post, what we’re about to do is try to train a network to encode/decode words into vectors, while simultaneously making sure that similar words (by meaning!) have similar vectors. Now that we have the n-grams, we want the Word2Vec algorithm to treat these as words by themselves (they are, after all, fixed combinations).

In the Word2Vec algorithm, we get to decide the length of the vectors that encode words ourselves. Larger vectors means more freedom in encoding words, but also makes it harder to learn similarity. In addition, we get to choose a window-size, indicating how many words the algorithm will look ahead to analyze relations between words. Both of these parameters are free for you to play with if you have a look at the source code repository. For the website everthemore.pythonanywhere.com, I’ve uploaded a size 100 with window-size 10 model, which I found to produce sensible results. Sensible here means “based on my expectations”, such as the previous example of “2D + electrons + magnetic field = Landau levels”. Let’s ask our network some questions.

First, as a simple check, let’s see what our encoding thinks some jargon is similar to:

  • Superconductor ~ Superconducting, Cuprate superconductor, Superconductivity, Layered superconductor, Unconventional superconductor, Superconducting gap, Cuprate, Weyl semimetal, …
  • Majorana ~ Majorana fermion, Majorana mode, Non-abelian, Zero-energy, braiding, topologically protected, …

It seems we could start to cluster words based on this. But the real test comes now, in the form of arithmetics. According to our network (I am listing the top two choices in some cases; the encoder outputs a list of similar vectors, ordered by similarity):

  • Majorana + Braiding = Non-Abelian
  • Electron + Hole = Exciton, Carrier
  • Spin + Magnetic field = Magnetization, Antiferromagnetic
  • Particle + Charge = Electron, Charged particle

And, sure enough:

  • 2D + electrons + magnetic field = Landau level, Magnetoresistance oscillation

The above is just a small sample of the things I’ve tried. See the link in the try it yourself section above if you want to have a go. Not all of the examples work nicely. For example, neither lattice + wave nor lattice + excitation nor lattice + force seem to result in anything related to the word ‘phonon’. I would guess that increasing the window size will help remedy this problem. Even better probably would be to include abstracts!

Outlook

I could play with this for hours, and I’m sure that by including the abstracts and tweaking the vector size (plus some more parameters I haven’t even mentioned) one could optimize this more. Once we have an optimized model, we could start to cluster the vectors to define research fields, visualizing the relations between n-grams (both suggestions thanks to Thomas Vidick and John Preskill!), and many other things. This post has become rather long already however, and I will leave further investigation to a possible future post. I’d be very happy to incorporate anything cool you find yourselves though, so please let me know!

Gently yoking yin to yang

The architecture at the University of California, Berkeley mystified me. California Hall evokes a Spanish mission. The main library consists of white stone pillared by ionic columns. A sea-green building scintillates in the sunlight like a scarab. The buildings straddle the map of styles.

Architecture.001

So do Berkeley’s quantum scientists, information-theory users, and statistical mechanics.

The chemists rove from abstract quantum information (QI) theory to experiments. Physicists experiment with superconducting qubits, trapped ions, and numerical simulations. Computer scientists invent algorithms for quantum computers to perform.

Few activities light me up more than bouncing from quantum group to info-theory group to stat-mech group, hunting commonalities. I was honored to bounce from group to group at Berkeley this September.

What a trampoline Berkeley has.

The groups fan out across campus and science, but I found compatibility. Including a collaboration that illuminated quantum incompatibility.

Quantum incompatibility originated in studies by Werner Heisenberg. He and colleagues cofounded quantum mechanics during the early 20th century. Measuring one property of a quantum system, Heisenberg intuited, can affect another property.

The most famous example involves position and momentum. Say that I hand you an electron. The electron occupies some quantum state represented by | \Psi \rangle. Suppose that you measure the electron’s position. The measurement outputs one of many possible values x (unless | \Psi \rangle has an unusual form, the form a Dirac delta function).

But we can’t say that the electron occupies any particular point x = x_0 in space. Measurement devices have limited precision. You can measure the position only to within some error \varepsilon: x = x_0 \pm \varepsilon.

Suppose that, immediately afterward, you measure the electron’s momentum. This measurement, too, outputs one of many possible values. What probability q(p) dp does the measurement have of outputting some value p? We can calculate q(p) dp, knowing the mathematical form of | \Psi \rangle and knowing the values of x_0 and \varepsilon.

q(p) is a probability density, which you can think of as a set of probabilities. The density can vary with p. Suppose that q(p) varies little: The probabilities spread evenly across the possible p values. You have no idea which value your momentum measurement will output. Suppose, instead, that q(p) peaks sharply at some value p = p_0. You can likely predict the momentum measurement’s outcome.

The certainty about the momentum measurement trades off with the precision \varepsilon of the position measurement. The smaller the \varepsilon (the more precisely you measured the position), the greater the momentum’s unpredictability. We call position and momentum complementary, or incompatible.

You can’t measure incompatible properties, with high precision, simultaneously. Imagine trying to do so. Upon measuring the momentum, you ascribe a tiny range of momentum values p to the electron. If you measured the momentum again, an instant later, you could likely predict that measurement’s outcome: The second measurement’s q(p) would peak sharply (encode high predictability). But, in the first instant, you measure also the position. Hence, by the discussion above, q(p) would spread out widely. But we just concluded that q(p) would peak sharply. This contradiction illustrates that you can’t measure position and momentum, precisely, at the same time.

But you can simultaneously measure incompatible properties weakly. A weak measurement has an enormous \varepsilon. A weak position measurement barely spreads out q(p). If you want more details, ask a Quantum Frontiers regular; I’ve been harping on weak measurements for months.

Blame Berkeley for my harping this month. Irfan Siddiqi’s and Birgitta Whaley’s groups collaborated on weak measurements of incompatible observables. They tracked how the measured quantum state | \Psi (t) \rangle evolved in time (represented by t).

Irfan’s group manipulates superconducting qubits.1 The qubits sit in the physics building, a white-stone specimen stamped with an egg-and-dart motif. Across the street sit chemists, including members of Birgitta’s group. The experimental physicists and theoretical chemists teamed up to study a quantum lack of teaming up.

Phys. & chem. bldgs

The experiment involved one superconducting qubit. The qubit has properties analogous to position and momentum: A ball, called the Bloch ball, represents the set of states that the qubit can occupy. Imagine an arrow pointing from the sphere’s center to any point in the ball. This Bloch vector represents the qubit’s state. Consider an arrow that points upward from the center to the surface. This arrow represents the qubit state | 0 \rangle. | 0 \rangle is the quantum analog of the possible value 0 of a bit, or unit of information. The analogous downward-pointing arrow represents the qubit state | 1 \rangle, analogous to 1.

Infinitely many axes intersect the sphere. Different axes represent different observables that Irfan’s group can measure. Nonparallel axes represent incompatible observables. For example, the x-axis represents an observable \sigma_x analogous to position. The y-axis represents an observable \sigma_y analogous to momentum.

Tug-of-war

Siddiqi lab, decorated with the trademark for the paper’s tug-of-war between incompatible observables. Photo credit: Leigh Martin, one of the paper’s leading authors.

Irfan’s group stuck their superconducting qubit in a cavity, or box. The cavity contained light that interacted with the qubit. The interactions transferred information from the qubit to the light: The light measured the qubit’s state. The experimentalists controlled the interactions, controlling the axes “along which” the light was measured. The experimentalists weakly measured along two axes simultaneously.

Suppose that the axes coincided—say, at the x-axis \hat{x}. The qubit would collapse to the state | \Psi \rangle = \frac{1}{ \sqrt{2} } ( | 0 \rangle + | 1 \rangle ), represented by the arrow that points along \hat{x} to the sphere’s surface, or to the state | \Psi \rangle = \frac{1}{ \sqrt{2} } ( | 0 \rangle - | 1 \rangle ), represented by the opposite arrow.

0 deg

(Projection of) the Bloch Ball after the measurement. The system can access the colored points. The lighter a point, the greater the late-time state’s weight on the point.

Let \hat{x}' denote an axis near \hat{x}—say, 18° away. Suppose that the group weakly measured along \hat{x} and \hat{x}'. The state would partially collapse. The system would access points in the region straddled by \hat{x} and \hat{x}', as well as points straddled by - \hat{x} and - \hat{x}'.

18 deg

Finally, suppose that the group weakly measured along \hat{x} and \hat{y}. These axes stand in for position and momentum. The state would, loosely speaking, swirl around the Bloch ball.

90 deg

The Berkeley experiment illuminates foundations of quantum theory. Incompatible observables, physics students learn, can’t be measured simultaneously. This experiment blasts our expectations, using weak measurements. But the experiment doesn’t just destroy. It rebuilds the blast zone, by showing how | \Psi (t) \rangle evolves.

“Position” and “momentum” can hang together. So can experimentalists and theorists, physicists and chemists. So, somehow, can the California mission and the ionic columns. Maybe I’ll understand the scarab building when we understand quantum theory.2

With thanks to Birgitta’s group, Irfan’s group, and the rest of Berkeley’s quantum/stat-mech/info-theory community for its hospitality. The Bloch-sphere figures come from http://www.nature.com/articles/nature19762.

1The qubit is the quantum analog of a bit. The bit is the basic unit of information. A bit can be in one of two possible states, which we can label as 0 and 1. Qubits can manifest in many physical systems, including superconducting circuits. Such circuits are tiny quantum circuits through which current can flow, without resistance, forever.

2Soda Hall dazzled but startled me.

Paradise

The word dominates chapter one of Richard Holmes’s book The Age of WonderHolmes writes biographies of Romantic-Era writers: Mary Wollstonecraft, Percy Shelley, and Samuel Taylor Coleridge populate his bibliography. They have cameos in Age. But their scientific counterparts star.

“Their natural-philosopher” counterparts, I should say. The word “scientist” emerged as the Romantic Era closed. Romanticism, a literary and artistic movement, flourished between the 1700s and the 1800s. Romantics championed self-expression, individuality, and emotion over convention and artificiality. Romantics wondered at, and drew inspiration from, the natural world. So, Holmes argues, did Romantic-Era natural philosophers. They explored, searched, and innovated with Wollstonecraft’s, Shelley’s, and Coleridge’s zest.

Age of Wonder

Holmes depicts Wilhelm and Caroline Herschel, a German brother and sister, discovering the planet Uranus. Humphry Davy, an amateur poet from Penzance, inventing a lamp that saved miners’ lives. Michael Faraday, a working-class Londoner, inspired by Davy’s chemistry lectures.

Joseph Banks in paradise.

So Holmes entitled chapter one.

Banks studied natural history as a young English gentleman during the 1760s. He then sailed around the world, a botanist on exploratory expeditions. The second expedition brought Banks aboard the HMS Endeavor. Captain James Cook steered the ship to Brazil, Tahiti, Australia, and New Zealand. Banks brought a few colleagues onboard. They studied the native flora, fauna, skies, and tribes.

Banks, with fellow botanist Daniel Solander, accumulated over 30,000 plant samples. Artist Sydney Parkinson drew the plants during the voyage. Parkinson’s drawings underlay 743 copper engravings that Banks commissioned upon returning to England. Banks planned to publish the engravings as the book Florilegium. He never succeeded. Two institutions executed Banks’s plan more than 200 years later.

Banks’s Florilegium crowns an exhibition at the University of California at Santa Barbara (UCSB). UCSB’s Special Research Collections will host “Botanical Illustrations and Scientific Discovery—Joseph Banks and the Exploration of the South Pacific, 1768–1771” until May 2018. The exhibition features maps of Banks’s journeys, biographical sketches of Banks and Cook, contemporary art inspired by the engravings, and the Florilegium.

online poster

The exhibition spotlights “plants that have subsequently become important ornamental plants on the UCSB campus, throughout Santa Barbara, and beyond.” One sees, roaming Santa Barbara, slivers of Banks’s paradise.

2 bouganvilleas

In Santa Barbara resides the Kavli Institute for Theoretical Physics (KITP). The KITP is hosting a program about the physics of quantum information (QI). QI scientists are congregating from across the world. Everyone visits for a few weeks or months, meeting some participants and missing others (those who have left or will arrive later). Participants attend and present tutorials, explore beyond their areas of expertise, and initiate research collaborations.

A conference capstoned the program, one week this October. Several speakers had founded subfields of physics: quantum error correction (how to fix errors that dog quantum computers), quantum computational complexity (how quickly quantum computers can solve hard problems), topological quantum computation, AdS/CFT (a parallel between certain gravitational systems and certain quantum systems), and more. Swaths of science exist because of these thinkers.

KITP

One evening that week, I visited the Joseph Banks exhibition.

Joseph Banks in paradise.

I’d thought that, by “paradise,” Holmes had meant “physical attractions”: lush flowers, vibrant colors, fresh fish, and warm sand. Another meaning occurred to me, after the conference talks, as I stood before a glass case in the library.

Joseph Banks, disembarking from the Endeavour, didn’t disembark onto just an island. He disembarked onto terra incognita. Never had he or his colleagues seen the blossoms, seed pods, or sprouts before him. Swaths of science awaited. What could the natural philosopher have craved more?

QI scientists of a certain age reminisce about the 1990s, the cowboy days of QI. When impactful theorems, protocols, and experiments abounded. When they dangled, like ripe fruit, just above your head. All you had to do was look up, reach out, and prove a pineapple.

Cowboy

Typical 1990s quantum-information scientist

That generation left mine few simple theorems to prove. But QI hasn’t suffered extinction. Its frontiers have advanced into other fields of science. Researchers are gaining insight into thermodynamics, quantum gravity, condensed matter, and chemistry from QI. The KITP conference highlighted connections with quantum gravity.

…in paradise.

What could a natural philosopher crave more?

Contemporary

Artwork commissioned by the UCSB library: “Sprawling Neobiotic Chimera (After Banks’ Florilegium),” by Rose Briccetti

Most KITP talks are recorded and released online. You can access talks from the conference here. My talk, about quantum chaos and thermalization, appears here. 

With gratitude to the KITP, and to the program organizers and the conference organizers, for the opportunity to participate. 

What Clocks have to do with Quantum Computation

Have you ever played the game “telephone”? You might remember it from your nursery days, blissfully oblivious to the fact that quantum mechanics governs your existence, and not yet wondering why Fox canceled Firefly. For everyone who forgot, here is the gist of the game: sit in a circle with your friends. Now you think of a story (prompt: a spherical weapon that can destroy planets). Once you have the story laid out in your head, tell it to your neighbor on your left. She takes the story and tells it to her friend on her left. It is important to master the art of whispering for this game: you don’t want to be overheard when the story is passed on. After one round, the friend on your right tells you what he heard from his friend on his right. Does the story match your masterpiece?

If your story is generic, it probably survived without alterations. Tolstoy’s War and Peace, on the other hand, might turn into a version of Game of Thrones. Passing along complex stories seems to be more difficult than passing on easy ones, and it also becomes more prone to errors the more friends join your circle—which makes intuitive sense.

So what does this have to do with physics or quantum computation?

Let’s add maths to this game, because why not. Take a difficult calculation that follows a certain procedure, such as long division of two integer numbers.

long-division

Now you perform one step of the division and pass the piece of paper on to your left. Your friend there is honest and trusts you: she doesn’t check what you did, but happily performs the next step in the division. Once she’s done, she passes the piece of paper on to her left, and so on. By the time the paper reaches you again, you hopefully have the result of the calculation, given you have enough friends to divide your favorite numbers, and given that everyone performed their steps accurately.

I’m not sure if Feynman thought about telephone when he, in 1986, proposed a method of embedding computation into eigenstates (e.g. the ground state) of a Hamiltonian, but the fact remains that the similarity is striking. Remember that writing down a Hamiltonian is a way of describing a quantum-mechanical system, for instance how the constituents of a multi-body system are coupled with each other. The ground state of such a Hamiltonian describes the lowest energy state that a system assumes when it is cooled down as far as possible. Before we dive into how the Hamiltonian looks, let’s try to understand how, in Feynman’s construction, a game of telephone can be represented as a quantum state of a physical system.

telephone-history-state

In this picture, | \psi_t \rangle represents a snapshot of the story or calculation at time t—in the division example, this would be the current divisor and remainder terms; so e.g. the snapshot | \psi_1 \rangle represents the initial dividend and divisor, and the person next to you is thinking of | \psi_2 \rangle, one step into the calculation. The label |t\rangle in front of the tensor sign \otimes is like a tag that you put on files on your computer, and uniquely associates the snapshot | \psi_t \rangle with the t-th time step. We say that the story snapshot is entangled with its label.

This is also an example of quantum superposition: all the |t\rangle\otimes|\psi_t\rangle are distinct states (the time labels, if not the story snapshots, are all unique), and by adding these states up we put them into superposition. So if we were to measure the time label, we would obtain one of the snapshots uniformly at random—it’s as if you had a cloth bag full of cards, and you blindly pick one. One side of the card will have the time label on it, while the other side contains the story snapshot. But don’t be fooled—you cannot access all story snapshots by successive measurements! Quantum states collapse; whatever measurement outcome you have dictates what the quantum state will look like after the measurement. In our example, this means that we burn the cloth bag after you pick your card; in this sense, the quantum state behaves differently than a simple juxtaposition of scraps of paper.

Nonetheless, this is the reason why we call such a quantum state a history state: it preserves the history of the computation, where every step that is performed is appropriately tagged. If we manage to compare all pairs of successively-labeled snapshots (without measuring them!), one can verify that the end result does, in fact, stem from a valid computation—and not just a random guess. In the division example, this would correspond to checking that each of your friends performs a correct division step.

So history states are clearly useful. But how do you design a Hamiltonian with a history state as the ground state? Is it even possible? The answer is yes, and it all boils down to verifying that two successive snapshots | \psi_t \rangle and | \psi_{t+1} \rangle are related to each other in the correct manner, e.g. that your friend on seat t+1 performs a valid division step from the snapshot prepared by the person on seat t. In fancy physics speak (aka Bra-Ket notation), we can for example write

local-check

The actual Hamiltonian will then be a sum of such terms, and one can verify that its ground state is indeed the one representing the history state we introduced above.

I’m glossing over a few details here: there is a minus sign in front of this term, and we have to add its Hermitian conjugate (flip the labels and snapshots around). But this is not essential for the argument, so let’s not go there for now. However, you’re totally right with one thing: it wouldn’t make sense to write down all snapshots themselves into the Hamiltonian! After all, if we had to calculate every snapshot transition like | \psi_2 \rangle \langle \psi_1 | in advance, there would be no use to this construction. So instead, we can write

local-check-2.png

Perfect. We now have a Hamiltonian which, in its ground state, can encode the history of a computation, and if we replace the transition operator \mathbf U_\text{DIVISION} with another desired transition operator (a unitary matrix), we can perform any computation we want (more precisely, any computation that can be written as a unitary matrix; this includes anything your laptop can do). However, this is only half of the story, since we need to have a way of reading out the final answer. So let’s step back for a moment, and go back to the telephone game.

Can you motivate your friends to cheat?

Your friends playing telephone make mistakes.

no-mistakes

Ok, let’s assume we give them a little incentive: offer $1 to the person on your right in case the result is an even number. Will he cheat? With so much at stake?

no-mistakes-bribe.png

In fact, maybe your friend is not only greedy but also dishonest: he wants to hide the fact that he miscalculates on purpose, and sometimes tells his friend on his right to make a mistake instead (maybe giving him a share of the money). So for a few of your friends close to the person at the end of the chain, there is a real incentive to cheat!

local-check-3.png

Can we motivate spins to cheat?

We already discussed how to write down a Hamiltonian that verifies valid computational steps. But can we do the same thing as bribing your friends to procure a certain outcome? Can we give an energy bonus to certain outcomes of the computation?

In fact, we can. Alexei Kitaev proposed adding a term to Feynman’s Hamiltonian which raises the energy of an unwanted outcome, relative to a desirable outcome. How? Again in fancy physics language,

local-check-4.png

What this term does is that it takes the history state and yields a negative energy contribution (signaled by the minus sign in front) if the last snapshot | \psi_T \rangle is an even number. If it isn’t, no bonus is felt; this would correspond to you keeping the dollar you promised to your friend. This simply means that in case the computation has a desirable outcome—i.e. an even number—the Hamiltonian allows a lower energy ground state than for any other output. Et voilà, we can distinguish between different outputs of the computation.

The true picture is, of course, a tad more complicated; generally, we give penalty terms to unwanted states instead of bonus terms to desirable ones. The reason for this is somewhat subtle, but can potentially be explained with an analogy: humans fear loss much more than they value gains of the same magnitude. Quantum systems behave in a completely opposite manner: the promise of a bonus at the end of the computation is such a great incentive that most of the weight of the history state will flock to the bonus term (for the physicists: the system now has a bound state, meaning that the wave function is localized around a specific site, and drops off exponentially quickly away from it). This makes it difficult to verify the computation far away from the bonus term.

So the Feynman-Kitaev Hamiltonian consists of three parts: one which checks each step of the computation, one which penalizes invalid outcomes—and obviously we also need to make sure the input of the computation is valid. Why? Well, are you saying you are more honest than your friends?

local-check-5.png

Physical Implications of History State Hamiltonians

If there is one thing I’ve learned throughout my PhD it is that we should always ask what use a theory is. So what can we learn from this construction? Almost 20 years ago, Alexei Kitaev used Feynman’s idea to prove that estimating the ground state energy of a physical system with local interactions is hard, even on a quantum computer (for the experts: QMA-hard under the assumption of a 1/\text{poly} promise gap splitting the embedded YES and NO instances). Why is estimating the ground state energy hard? The energy shift induced by the output penalty depends on the outcome of the computation that we embed (e.g. even or odd outcome). And as fun as long division is, there are much more difficult tasks we can write down as a history state Hamiltonian—in fact, it is this very freedom which makes estimating the ground state energy difficult: if we can embed any computation we want, estimating the induced energy shift should be at least as hard as actually performing the computation on a quantum computer. This has one curious implication: if we don’t expect that we can estimate the ground state energy efficiently, the physical system will take a long time to actually assume its ground state when cooled down, and potentially behave like a spin glass!

Feynman’s history state construction and the QMA-hardness proof of Kitaev were a big part of the research I did for my PhD. I formalized the case where the message is not passed on along a unique path from neighbor to neighbor, but can take an arbitrary path between beginning and end in a more complicated graph; in this way, computation can in some sense be parallelized.

Well, to be honest, the last statement is not entirely true: while there can be parallel tracks of computation from A to B, these tracks have to perform the same computation (albeit in potentially different steps); otherwise the system becomes much more complicated to analyze. The reason why this admittedly quite restricted form of branching might still be an advantage is somewhat subtle: if your computation has a lot of classical if-else cases, but you don’t have enough space on your piece of paper to store all the variables to check the conditions, it might be worth just taking a gamble: pass your message down one branch, in the hope that the condition is met. The only thing that you have to be careful about is that in case the condition isn’t met, you don’t produce invalid results. What use is that in physics? If you don’t have to store a lot of information locally, it means you can get away using a much lower local spin dimension for the system you describe.

Such small and physically realistic models have as of late been proposed as actual computational devices (called Hamiltonian quantum computers), where a prepared initial state is evolved under such a history state Hamiltonian for a specific time, in contrast to the static property of a history ground state we discussed above. Yet whether or not this is something one could actually build in a lab remains an open question.

Last year, Thomas Vidick invited me to visit Caltech, and I worked with IQIM postdoc Elizabeth Crosson to improve the analysis of the energy penalty that is assigned to any history state that cheats the constraints in the Feynman-Kitaev Hamiltonian. We identified some open problems and also proved limitations on the extent of the energetic penalty that these kinds of Hamiltonians can have. This summer I went back to Caltech to further develop these ideas and make progress towards a complete understanding of such “clock” Hamiltonians, which Elizabeth and I are putting together in a follow-up work that should appear soon.

It is striking how such simple idea can have so profound an implication across fields, and remain relevant, even 30 years after its first proposal.

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Feynman concludes his 1986 Foundations of Physics paper with the following words.

At any rate, it seems that the laws of physics present no barrier to reducing the size of computers until bits are the size of atoms, and quantum behavior holds dominant sway.

For my part, I hope that he was right and that history state constructions will play a part in this future.

Decoding (the allure of) the apparent horizon

I took 32 hours to unravel why Netta Engelhardt’s talk had struck me.

We were participating in Quantum Information in Quantum Gravity III, a workshop hosted by the University of British Columbia (UBC) in Vancouver. Netta studies quantum gravity as a Princeton postdoc. She discussed a feature of black holes—an apparent horizon—I’d not heard of. After hearing of it, I had to grasp it. I peppered Netta with questions three times in the following day. I didn’t understand why, for 32 hours.

After 26 hours, I understood apparent horizons like so.

Imagine standing beside a glass sphere, an empty round shell. Imagine light radiating from a point source in the sphere’s center. Think of the point source as a minuscule flash light. Light rays spill from the point source.

Which paths do the rays follow through space? They fan outward from the sphere’s center, hit the glass, and fan out more. Imagine turning your back to the sphere and looking outward. Light rays diverge as they pass you.

At least, rays diverge in flat space-time. We live in nearly flat space-time. We wouldn’t if we neighbored a supermassive object, like a black hole. Mass curves space-time, as described by Einstein’s theory of general relativity.

Sphere 2

Imagine standing beside the sphere near a black hole. Let the sphere have roughly the black hole’s diameter—around 10 kilometers, according to astrophysical observations. You can’t see much of the sphere. So—imagine—you recruit your high-school-physics classmates. You array yourselves around the sphere, planning to observe light and compare observations. Imagine turning your back to the sphere. Light rays would converge, or flow toward each other. You’d know yourself to be far from Kansas.

Picture you, your classmates, and the sphere falling into the black hole. When would everyone agree that the rays switch from diverging to converging? Sometime after you passed the event horizon, the point of no return.1 Before you reached the singularity, the black hole’s center, where space-time warps infinitely. The rays would switch when you reached an in-between region, the apparent horizon.

Imagine pausing at the apparent horizon with your sphere, facing away from the sphere. Light rays would neither diverge nor converge; they’d point straight. Continue toward the singularity, and the rays would converge. Reverse away from the singularity, and the rays would diverge.

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UBC near twilight

Rays diverged from the horizon beyond UBC at twilight. Twilight suits UBC as marble suits the Parthenon; and UBC’s twilight suits musing. You can reflect while gazing on reflections in glass buildings, or reflections in a pool by a rose garden. Your mind can roam as you roam paths lined by elms, oaks, and willows. I wandered while wondering why the sphere intrigued me.

Science thrives on instrumentation. Galileo improved the telescope, which unveiled Jupiter’s moons. Alexander von Humboldt measured temperatures and pressures with thermometers and barometers, charting South America during the 1700s. The Large Hadron Collider revealed the Higgs particle’s mass in 2012.

The sphere reminded me of a thermometer. As thermometers register temperature, so does the sphere register space-time curvature. Not that you’d need a sphere to distinguish a black hole from Kansas. Nor do you need a thermometer to distinguish Vancouver from a Brazilian jungle. But thermometers quantify the distinction. A sphere would sharpen your observations’ precision.

A sphere and a light source—free of supercolliders, superconductors, and superfridges. The instrument boasts not only profundity, but also simplicity.

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Alexander von Humboldt

Netta proved a profound theorem about apparent horizons, with coauthor Aron Wall. Jakob Bekenstein and Stephen Hawking had studied event horizons during the 1970s. An event horizon’s area, Bekenstein and Hawking showed, is proportional to the black hole’s thermodynamic entropy. Netta and Aron proved a proportionality between another area and another entropy.

They calculated an apparent horizon’s area, A. The math that represents their black hole represents also a quantum system, by a duality called AdS/CFT. The quantum system can occupy any of several states. Different states encode different information about the black hole. Consider the information needed to describe, fully and only, the region outside the apparent horizon. Some quantum state \rho encodes this information. \rho encodes no information about the region behind the apparent horizon, closer to the black hole. How would you quantify this lack of information? With the von Neumann entropy S(\rho). This entropy is proportional to the apparent horizon’s area: S( \rho )  \propto  A.

Netta and Aron entitled their paper “Decoding the apparent horizon.” Decoding the apparent horizon’s allure took me 32 hours and took me to an edge of campus. But I didn’t mind. Edges and horizons suited my visit as twilight suits UBC. Where can we learn, if not at edges, as where quantum information meets other fields?

 

With gratitude to Mark van Raamsdonk and UBC for hosting Quantum Information in Quantum Gravity III; to Mark, the other organizers, and the “It from Qubit” Simons Foundation collaboration for the opportunity to participate; and to Netta Engelhardt for sharing her expertise.

1Nothing that draws closer to a black hole than the event horizon can turn around and leave, according to general relativity. The black hole’s gravity pulls too strongly. Quantum mechanics implies that information leaves, though, in Hawking radiation.

Topological qubits: Arriving in 2018?

Editor‘s note: This post was prepared jointly by Ryan Mishmash and Jason Alicea.

Physicists appear to be on the verge of demonstrating proof-of-principle “usefulness” of small quantum computers.  Preskill’s notion of quantum supremacy spotlights a particularly enticing goal: use a quantum device to perform some computation—any computation in fact—that falls beyond the reach of the world’s best classical computers.  Efforts along these lines are being vigorously pursued along many fronts, from academia to large corporations to startups.  IBM’s publicly accessible 16-qubit superconducting device, Google’s pursuit of a 7×7 superconducting qubit array, and the recent synthesis of a 51-qubit quantum simulator using rubidium atoms are a few of many notable highlights.  While the number of qubits obtainable within such “conventional” approaches has steadily risen, synthesizing the first “topological qubit” remains an outstanding goal.  That ceiling may soon crumble however—vaulting topological qubits into a fascinating new chapter in the quest for scalable quantum hardware.

Why topological quantum computing?

As quantum computing progresses from minimalist quantum supremacy demonstrations to attacking real-world problems, hardware demands will naturally steepen.  In, say, a superconducting-qubit architecture, a major source of overhead arises from quantum error correction needed to combat decoherence.  Quantum-error-correction schemes such as the popular surface-code approach encode a single fault-tolerant logical qubit in many physical qubits, perhaps thousands.  The number of physical qubits required for practical applications can thus rapidly balloon.

The dream of topological quantum computing (introduced by Kitaev) is to construct hardware inherently immune to decoherence, thereby mitigating the need for active error correction.  In essence, one seeks physical qubits that by themselves function as good logical qubits.  This lofty objective requires stabilizing exotic phases of matter that harbor emergent particles known as “non-Abelian anyons”.  Crucially, nucleating non-Abelian anyons generates an exponentially large set of ground states that cannot be distinguished from each other by any local measurement.  Topological qubits encode information in those ground states, yielding two key virtues:

(1) Insensitivity to local noise.  For reference, consider a conventional qubit encoded in some two-level system, with the 0 and 1 states split by an energy \hbar \omega.  Local noise sources—e.g., random electric and magnetic fields—cause that splitting to fluctuate stochastically in time, dephasing the qubit.  In practice one can engender immunity against certain environmental perturbations.  One famous example is the transmon qubit (see “Charge-insensitive qubit design derived from the Cooper pair box” by Koch et al.) used extensively at IBM, Google, and elsewhere.  The transmon is a superconducting qubit that cleverly suppresses the effects of charge noise by operating in a regime where Josephson couplings are sizable compared to charging energies.  Transmons remain susceptible, however, to other sources of randomness such as flux noise and critical-current noise.  By contrast, topological qubits embed quantum information in global properties of the system, building in immunity against all local noise sources.  Topological qubits thus realize “perfect” quantum memory.

(2) Perfect gates via braiding.  By exploiting the remarkable phenomenon of non-Abelian statistics, topological qubits further enjoy “perfect” quantum gates: Moving non-Abelian anyons around one another reshuffles the system among the ground states—thereby processing the qubits—in exquisitely precise ways that depend only on coarse properties of the exchange.

Disclaimer: Adjectives like “perfect” should come with the qualifier “up to exponentially small corrections”, a point that we revisit below.

Experimental status

The catch is that systems supporting non-Abelian anyons are not easily found in nature.  One promising topological-qubit implementation exploits exotic 1D superconductors whose ends host “Majorana modes”—novel zero-energy degrees of freedom that underlie non-Abelian-anyon physics.  In 2010, two groups (Lutchyn et al. and Oreg et al.) proposed a laboratory realization that combines semiconducting nanowires, conventional superconductors, and modest magnetic fields.

Since then, the materials-science progress on nanowire-superconductor hybrids has been remarkable.  Researchers can now grow extremely clean, versatile devices featuring various manipulation and readout bells and whistles.  These fabrication advances paved the way for experiments that have reported increasingly detailed Majorana characteristics: tunneling signatures including recent reports of long-sought quantized response, evolution of Majorana modes with system size, mapping out of the phase diagram as a function of external parameters, etc.  Alternate explanations are still being debated though.  Perhaps the most likely culprit are conventional localized fermionic levels (“Andreev bound states”) that can imitate Majorana signatures under certain conditions; see in particular Liu et al.  Still, the collective experimental effort on this problem over the last 5+ years has provided mounting evidence for the existence of Majorana modes.  Revealing their prized quantum-information properties poses a logical next step.

Validating a topological qubit

Ideally one would like to verify both hallmarks of topological qubits noted above—“perfect” insensitivity to local noise and “perfect” gates via braiding.  We will focus on the former property, which can be probed in simpler device architectures.  Intuitively, noise insensitivity should imply long qubit coherence times.  But how do you pinpoint the topological origin of long coherence times, and in any case what exactly qualifies as “long”?

Here is one way to sharply address these questions (for more details, see our work in Aasen et al.).  As alluded to in our disclaimer above, logical 0 and 1 topological-qubit states aren’t exactly degenerate.  In nanowire devices they’re split by an energy \hbar \omega that is exponentially small in the separation distance L between Majorana modes divided by the superconducting coherence length \xi.  Correspondingly, the qubit states are not quite locally indistinguishable either, and hence not perfectly immune to local noise.  Now imagine pulling apart Majorana modes to go from a relatively poor to a perfect topological qubit.  During this process two things transpire in tandem: The topological qubit’s oscillation frequency, \omega, vanishes exponentially while the dephasing time T_2 becomes exponentially long.  That is,

scaling

This scaling relation could in fact be used as a practical definition of a topologically protected quantum memory.  Importantly, mimicking this property in any non-topological qubit would require some form of divine intervention.  For example, even if one fine-tuned conventional 0 and 1 qubit states (e.g., resulting from the Andreev bound states mentioned above) to be exactly degenerate, local noise could still readily produce dephasing.

As discussed in Aasen et al., this topological-qubit scaling relation can be tested experimentally via Ramsey-like protocols in a setup that might look something like the following:

Aasen

This device contains two adjacent Majorana wires (orange rectangles) with couplings controlled by local gates (“valves” represented by black switches).  Incidentally, the design was inspired by a gate-controlled variation of the transmon pioneered in Larsen et al. and de Lange et al.  In fact, if only charge noise was present, we wouldn’t stand to gain much in the way of coherence times: both the transmon and topological qubit would yield exponentially long T_2 times.  But once again, other noise sources can efficiently dephase the transmon, whereas a topological qubit enjoys exponential protection from all sources of local noise.  Mathematically, this distinction occurs because the splitting for transmon qubit states is exponentially flat only with respect to variations in a “gate offset” n_g.  For the topological qubit, the splitting is exponentially flat with respect to variations in all external parameters (e.g., magnetic field, chemical potential, etc.), so long as Majorana modes still survive.  (By “exponentially flat” we mean constant up to exponentially small deviations.)  Plotting the energies of the qubit states in the two respective cases versus external parameters, the situation can be summarized as follows:

energies

Outlook: Toward “topological quantum ascendancy”

These qubit-validation experiments constitute a small stepping stone toward building a universal topological quantum computer.  Explicitly demonstrating exponentially protected quantum information as discussed above would, nevertheless, go a long way toward establishing practical utility of Majorana-based topological qubits.  One might even view this goal as single-qubit-level “topological quantum ascendancy”.  Completion of this milestone would further set the stage for implementing “perfect” quantum gates, which requires similar capabilities albeit in more complex devices.  Researchers at Microsoft and elsewhere have their sights set on bringing a prototype topological qubit to life in the very near future.  It is not unreasonable to anticipate that 2018 will mark the debut of the topological qubit.  We could of course be off target.  There is, after all, still plenty of time in 2017 to prove us wrong.

Taming wave functions with neural networks

Note from Nicole Yunger Halpern: One sunny Saturday this spring, I heard Sam Greydanus present about his undergraduate thesis. Sam was about to graduate from Dartmouth with a major in physics. He had worked with quantum-computation theorist Professor James Whitfield. The presentation — about applying neural networks to quantum computation — so intrigued me that I asked him to share his research on Quantum Frontiers. Sam generously agreed; this is his story.

Wave functions in the wild

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The wave function, \psi , is a mixed blessing. At first, it causes unsuspecting undergrads (me) some angst via the Schrodinger’s cat paradox. This angst morphs into full-fledged panic when they encounter concepts such as nonlocality and Bell’s theorem (which, by the way, is surprisingly hard to verify experimentally). The real trouble with \psi , though, is that it grows exponentially with the number of entangled particles in a system. We couldn’t even hope to write the wavefunction of 100 entangled particles, much less perform computations on it…but there’s a lot to gain from doing just that.

The thing is, we (a couple of luckless physicists) love \psi . Manipulating wave functions can give us ultra-precise timekeeping, secure encryption, and polynomial-time factoring of integers (read: break RSA). Harnessing quantum effects can also produce better machine learning, better physics simulations, and even quantum teleportation.

Taming the beast

Though \psi grows exponentially with the number of particles in a system, most physical wave functions can be described with a lot less information. Two algorithms for doing this are the Density Matrix Renormalization Group (DMRG) and Quantum Monte Carlo (QMC).

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Density Matrix Renormalization Group (DMRG). Imagine we want to learn about trees, but studying a full-grown, 50-foot tall tree in the lab is too unwieldy. One idea is to keep the tree small, like a bonsai tree. DMRG is an algorithm which, like a bonsai gardener, prunes the wave function while preserving its most important components. It produces a compressed version of the wave function called a Matrix Product State (MPS). One issue with DMRG is that it doesn’t extend particularly well to 2D and 3D systems.

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Quantum Monte Carlo (QMC). Another way to study the concept of “tree” in a lab (bear with me on this metaphor) would be to study a bunch of leaf, seed, and bark samples. Quantum Monte Carlo algorithms do this with wave functions, taking “samples” of a wave function (pure states) and using the properties and frequencies of these samples to build a picture of the wave function as a whole. The difficulty with QMC is that it treats the wave function as a black box. We might ask, “how does flipping the spin of the third electron affect the total energy?” and QMC wouldn’t have much of a physical answer.

Brains \gg Brawn

Neural Quantum States (NQS). Some state spaces are far too large for even Monte Carlo to sample adequately. Suppose now we’re studying a forest full of different species of trees. If one type of tree vastly outnumbers the others, choosing samples from random trees isn’t an efficient way to map biodiversity. Somehow, we need to make the sampling process “smarter”. Last year, Google DeepMind used a technique called deep reinforcement learning to do just that – and achieved fame for defeating the world champion human Go player. A recent Science paper by Carleo and Troyer (2017) used the same technique to make QMC “smarter” and effectively compress wave functions with neural networks. This approach, called “Neural Quantum States (NQS)”, produced several state-of-the-art results.

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The general idea of my thesis.

My thesis. My undergraduate thesis centered upon much the same idea. In fact, I had to abandon some of my initial work after reading the NQS paper. I then focused on using machine learning techniques to obtain MPS coefficients. Like Carleo and Troyer, I used neural networks to approximate  \psi . Unlike Carleo and Troyer, I trained my model to output a set of Matrix Product State coefficients which have physical meaning (MPS coefficients always correspond to a certain state and site, e.g. “spin up, electron number 3”).

Cool – but does it work?

Yes – for small systems. In my thesis, I considered a toy system of 4 spin-\frac{1}{2} particles interacting via the Heisenberg Hamiltonian. Solving this system is not difficult so I was able to focus on fitting the two disparate parts – machine learning and Matrix Product States – together.

Success! My model solved for ground states with arbitrary precision. Even more interestingly, I used it to automatically obtain MPS coefficients. Shown below, for example, is a visualization of my model’s coefficients for the GHZ state, compared with coefficients taken from the literature.

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A visual comparison of a 4-site Matrix Product State for the GHZ state a) listed in the literature b) obtained from my neural network model. Colored squares correspond to real-valued elements of 2×2 matrices.

Limitations. The careful reader might point out that, according to the schema of my model (above), I still have to write out the full wave function. To scale my model up, I instead trained it variationally over a subspace of the Hamiltonian (just as the authors of the NQS paper did). Results are decent for larger (10-20 particle) systems, but the training itself is still unstable. I’ll finish ironing out the details soon, so keep an eye on arXiv* :).

Outside the ivory tower

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A quantum computer developed by Joint Quantum Institute, U. Maryland.

Quantum computing is a field that’s poised to take on commercial relevance. Taming the wave function is one of the big hurdles we need to clear before this happens. Hopefully my findings will have a small role to play in making this happen.

On a more personal note, thank you for reading about my work. As a recent undergrad, I’m still new to research and I’d love to hear constructive comments or criticisms. If you found this post interesting, check out my research blog.

*arXiv is an online library for electronic preprints of scientific papers