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Mathematical Physics

252 missions · 191 completed

Missions

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CombinatoricsProbability·Captain: wurtle

Brownian continuum random tree limits of finite Fortuin–Kasteleyn maps above fourResearch Paper

Motivation

Random planar maps are graphs embedded in the sphere, chosen at random; they are the discrete models of two-dimensional quantum gravity. Decorating a map with a Fortuin–Kasteleyn (FK) random-cluster configuration with parameter qqq couples the geometry of the map to a statistical-mechanics model (percolation, Ising, Potts), and the coupling changes the large-scale shape of the map. For 0<q<40<q<40<q<4 the maps are expected to converge to Liouville quantum gravity surfaces; for q>4q>4q>4 the cluster weight is so strong that the map is predicted to become tree-like at large scales. This mission concerns that tree-like regime.

Timeline

  • 1963. Tutte decomposes planar maps into nonseparable blocks (doi:10.4153/CJM-1963-029-x).
  • 1967. Mullin enumerates tree-rooted maps (doi:10.4153/CJM-1967-010-x).
  • 1972. Fortuin and Kasteleyn introduce the random-cluster model (doi:10.1016/0031-8914(72)90045-6).
  • 1993. Aldous introduces the Brownian continuum random tree (CRT) as the limit of finite-variance conditioned Galton–Watson trees (doi:10.1214/aop/1176989404).
  • 2007–2008. Bernardi gives bijective encodings of tree-rooted maps and connects them to the Tutte polynomial (doi:10.37236/928).
  • 2016. Sheffield's inventory-accumulation (hamburger–cheeseburger) bijection encodes FK-decorated maps and identifies the transition at q=4q=4q=4; his appendix predicts a CRT limit for q>4q>4q>4 (doi:10.1214/15-AOP1061). Panagiotou, Stufler and Weller prove CRT limits for subcritical graph classes (doi:10.1214/15-AOP1048).
  • 2026. Feng proves an infinite-volume counterpart: an infinite FK map with q>4q>4q>4 converges to an infinite CRT in the local Gromov–Hausdorff–Prokhorov topology (doi:10.1007/s00440-025-01424-2); Stufler proves degree-measure CRT limits for maps whose block weights depend only on block size (arXiv:2608.21063).

The source of this mission, an OpenAI preprint dated September 24, 2026, proves the finite-volume CRT prediction for every q>4q>4q>4.

Setting

A rooted planar map is a connected graph embedded in the oriented sphere, up to orientation-preserving homeomorphism, with a distinguished dart (oriented edge); loops and multiple edges are allowed. For an edge subset A⊆E(M)A\subseteq E(M)A⊆E(M), kM(A)k_M(A)kM​(A) is the number of connected components of (V(M),A)(V(M),A)(V(M),A), isolated vertices included. For q>4q>4q>4 and n≥1n\ge1n≥1, sample (Mn,An)(M_n,A_n)(Mn​,An​) with ∣E(Mn)∣=n|E(M_n)|=n∣E(Mn​)∣=n according to

P((Mn,An)=(M,A))=1Zn,q q kM(A)+(∣A∣−∣V(M)∣)/2.\mathbb P\bigl((M_n,A_n)=(M,A)\bigr)=\frac{1}{Z_{n,q}}\,q^{\,k_M(A)+(|A|-|V(M)|)/2}.P((Mn​,An​)=(M,A))=Zn,q​1​qkM​(A)+(∣A∣−∣V(M)∣)/2.

Let dnd_ndn​ be graph distance on V(Mn)V(M_n)V(Mn​) using all edges and μn({v})=deg⁡(v)/(2n)\mu_n(\{v\})=\deg(v)/(2n)μn​({v})=deg(v)/(2n).

For a standard normalized Brownian excursion eee on [0,1][0,1][0,1], de(s,t)=e(s)+e(t)−2min⁡[s∧t, s∨t]ed_e(s,t)=e(s)+e(t)-2\min_{[s\wedge t,\,s\vee t]}ede​(s,t)=e(s)+e(t)−2min[s∧t,s∨t]​e; the quotient by de=0d_e=0de​=0 with the pushforward μe\mu_eμe​ of Lebesgue measure is the Brownian CRT (Te,de,μe)(\mathcal T_e,d_e,\mu_e)(Te​,de​,μe​).

The Gromov–Hausdorff–Prokhorov (GHP) distance between compact metric probability spaces is the infimum, over isometric embeddings into a common space, of the maximum of the Hausdorff distance of the images and the Lévy–Prokhorov distance of the pushed-forward measures.

Formalization targets

Goal: Theorem 1.1

∀q>4 ∃c(q)∈(0,∞):(V(Mn), c(q) n−1/2dn, μn) ⟹ (Te,de,μe)\forall q>4\ \exists c(q)\in(0,\infty):\qquad \bigl(V(M_n),\ c(q)\,n^{-1/2}d_n,\ \mu_n\bigr)\ \Longrightarrow\ (\mathcal T_e,d_e,\mu_e)∀q>4 ∃c(q)∈(0,∞):(V(Mn​), c(q)n−1/2dn​, μn​) ⟹ (Te​,de​,μe​)

in distribution for the GHP topology, as n→∞n\to\inftyn→∞ through all positive integers. The Lean statement OAI.FKCRT.finite_fk_maps_converge_to_brownian_crt is open on the platform.

Significance

The theorem establishes the tree side of the geometric phase transition of FK planar maps at q=4q=4q=4 in the natural finite-volume setting: the law is conditioned on the total size, the metric uses every edge, and the measure is the degree measure. Feng's infinite-volume result does not imply it, and a limit of an unconditioned encoding walk gives neither conditioning nor metric control. Together with companion results for 0<q≤40<q\le40<q≤4, it completes the picture surface versus tree.

The result is proved in an OpenAI preprint; it has not been peer reviewed, and no machine-checked proof exists. A formal proof would also build reusable infrastructure: combinatorial maps as rotation systems, the GHP topology, and the Brownian CRT, none of which is in Mathlib.

Difficulty

The FK weight of a nonseparable block depends on its shape, not only on its size, so the block-weighted map results with uniform blocks do not apply, and exponential moments of block sizes are not available. The proof must show that the block tree is a critical Galton–Watson tree with finite offspring variance, and that graph distance along every ancestral path is asymptotically a constant times the depth, uniformly over all paths, using only a second moment.

Formalization scope

  • A map with n+1n+1n+1 edges is a pair of permutations of Fin (2*(n+1)) (edge involution without fixed points, vertex rotation), connected, with ∣V∣+∣F∣=n+3|V|+|F|=n+3∣V∣+∣F∣=n+3 (genus zero), modulo isomorphisms fixing dart 0. The Lean index nnn corresponds to n+1n+1n+1 edges, and the scale is c/n+1c/\sqrt{n+1}c/n+1​.
  • The FK law sums over all Finsets of edge orbits; clusterCount counts components including isolated vertices; loops are omitted from adjacency only.
  • MetricMeasureData packages a carrier, a distance and a measure; Valid means a compact metric probability space with Borel σ-algebra. ghpEDist is the infimum over pseudometrics on the disjoint union extending both distances.
  • Convergence in distribution is expressed by expectations of bounded tests F continuous for ghpEDist at valid objects.
  • The normalized excursion is realized as ∣B(t)−tB(1)∣\lvert B(t)-tB(1)\rvert∣B(t)−tB(1)∣ for a three-dimensional Brownian motion BBB, and the statement holds for every such realization. The limit expectation is a Bochner integral, so measurability of the integrand is part of what must be proved.

A complete development needs Sheffield's inventory bijection or an equivalent finite word identity, Tutte's block decomposition, conditioned Galton–Watson tree limits with finite variance (Aldous; Broutin–Marckert), and GHP comparison lemmas. Contributions formalizing Proposition 2.2 (finite word identity), Proposition 4.3 (exact finite representation), Theorem 5.5 (uniform marked path sums) and Lemma 6.3 (metric and mass comparison) are welcome.

Selected references

  • OpenAI, Brownian continuum random tree limits of finite Fortuin–Kasteleyn maps above four, preprint, September 24, 2026. https://github.com/openai/math/blob/adc7f1241b42e322a6451854ab7e4b4c146bf78a/preprints/Brownian-continuum-random-tree-limits-of-finite-Fortuin-Kasteleyn-maps-above-four-September-24-2026/main.pdf
  • S. Sheffield, Quantum gravity and inventory accumulation, Ann. Probab., 2016. https://doi.org/10.1214/15-AOP1061
  • Y. Feng, Triviality of critical Fortuin–Kasteleyn decorated planar maps for q>4q>4q>4, Probab. Theory Related Fields, 2026. https://doi.org/10.1007/s00440-025-01424-2
  • D. Aldous, The continuum random tree III, Ann. Probab., 1993. https://doi.org/10.1214/aop/1176989404
  • C. M. Fortuin, P. W. Kasteleyn, On the random-cluster model I, Physica, 1972. https://doi.org/10.1016/0031-8914(72)90045-6
  • W. T. Tutte, A census of planar maps, Canad. J. Math., 1963. https://doi.org/10.4153/CJM-1963-029-x
  • N. Broutin, J.-F. Marckert, Asymptotics of trees with a prescribed degree sequence and applications, Random Structures Algorithms, 2014. https://doi.org/10.1002/rsa.20463
  • K. Panagiotou, B. Stufler, K. Weller, Scaling limits of random graphs from subcritical classes, Ann. Probab., 2016. https://doi.org/10.1214/15-AOP1048
  • B. Stufler, Non-bijective scaling limits and phase transitions of planar maps, preprint, 2026. https://arxiv.org/abs/2608.21063
2 thms1 active userReviewed
Discrete GeometryHarmonic Analysis·Captain: wurtle

An atomic certificate for triangular-lattice universal optimalityResearch Paper

Motivation

Which arrangement of points in the plane minimizes interaction energy? For many repulsive interactions the expected answer is the triangular (hexagonal) lattice. Universal optimality, formulated by Cohn and Kumar (2007, doi:10.1090/S0894-0347-06-00546-7), asks for a single configuration that minimizes energy simultaneously for every completely monotone potential of squared distance, which includes all Gaussians and all inverse powers. It was proved in dimensions 8 and 24 for E8E_8E8​ and the Leech lattice; in dimension two it was a conjecture. The question matters in mathematical physics (crystallization, vortex lattices, Coulomb and Riesz gases) and in the theory of Fourier interpolation.

Timeline

  • 1953–1964. Rankin, Cassels, Ennola and Diananda show that the triangular lattice minimizes the Epstein zeta function among planar lattices (doi:10.1017/S2040618500035668, doi:10.1017/S2040618500033906).
  • 1988. Montgomery proves the Gaussian (theta-function) minimum among planar lattices of fixed covolume for every parameter (doi:10.1017/S0017089500007047).
  • 2003. Cohn and Elkies introduce Fourier linear-programming bounds for sphere packing (doi:10.4007/annals.2003.157.689).
  • 2007. Cohn and Kumar formulate the Euclidean universal-optimality program (Conjecture 9.4).
  • 2018. Cohn and de Courcy-Ireland extend the Fourier comparison to density-based competitor classes (doi:10.1215/00127094-2018-0018).
  • 2019. Radchenko and Viazovska develop Fourier interpolation on the line (doi:10.1007/s10240-018-0101-z).
  • 2022. Cohn, Kumar, Miller, Radchenko and Viazovska prove universal optimality of E8E_8E8​ and the Leech lattice (doi:10.4007/annals.2022.196.3.3).
  • 2024–2025. Partial planar results: comparisons with periodic classes (Faulhuber–Shafkulovska–Zlotnikov, doi:10.1090/bproc/247), small periodic configurations (Hardin–Tenpas, doi:10.19086/da.144978), and local optimality under small displacements (Leblé, arXiv:2511.03353).

The source of this mission, an OpenAI preprint dated September 26, 2026, claims the full planar statement against all locally finite configurations of density one. A companion OpenAI preprint reaches the same energy conclusion by a different (modulo-12) interpolation construction.

Setting

Let b=3/2b=\sqrt3/2b=3​/2 and A=b−1/2{m(1,0)+n(1/2,b):m,n∈Z}A=b^{-1/2}\{m(1,0)+n(1/2,b):m,n\in\mathbb Z\}A=b−1/2{m(1,0)+n(1/2,b):m,n∈Z}, the triangular lattice of covolume one. Let BRB_RBR​ be the closed disk of radius RRR about the origin. A set C⊂R2\mathcal C\subset\mathbb R^2C⊂R2 is locally finite if each C∩BR\mathcal C\cap B_RC∩BR​ is finite, and has centered disk density one if NR/(πR2)→1N_R/(\pi R^2)\to1NR​/(πR2)→1, where NR=#(C∩BR)N_R=\#(\mathcal C\cap B_R)NR​=#(C∩BR​).

A smooth g:(0,∞)→[0,∞)g:(0,\infty)\to[0,\infty)g:(0,∞)→[0,∞) is completely monotone if (−1)jg(j)(t)≥0(-1)^jg^{(j)}(t)\ge0(−1)jg(j)(t)≥0 for all j≥0j\ge0j≥0, t>0t>0t>0. The lower energy per particle is

Eg(C)=lim inf⁡R→∞1NR∑x,y∈C∩BRx≠yg(∣x−y∣2)∈[0,∞],E_g(\mathcal C)=\liminf_{R\to\infty}\frac1{N_R}\sum_{\substack{x,y\in\mathcal C\cap B_R\\ x\ne y}}g(|x-y|^2)\in[0,\infty],Eg​(C)=R→∞liminf​NR​1​x,y∈C∩BR​x=y​∑​g(∣x−y∣2)∈[0,∞],

summing over ordered pairs. The Fourier transform is f^(ξ)=∫f(x)e−2πix⋅ξ dx\widehat f(\xi)=\int f(x)e^{-2\pi i x\cdot\xi}\,dxf​(ξ)=∫f(x)e−2πix⋅ξdx and A∗={ξ:ξ⋅a∈Z ∀a∈A}A^*=\{\xi:\xi\cdot a\in\mathbb Z\ \forall a\in A\}A∗={ξ:ξ⋅a∈Z ∀a∈A} is the dual lattice.

Formalization targets

Milestone: Theorem 1.2 (sharp Gaussian minorants)

For every α>0\alpha>0α>0 there is a real radial Schwartz fαf_\alphafα​ with

fα≤e−πα∣x∣2,f^α≥0,fα(a)=e−πα∣a∣2 (a∈A∖{0}),f^α(w)=0 (w∈A∗∖{0}),f_\alpha\le e^{-\pi\alpha|x|^2},\quad \widehat f_\alpha\ge0,\quad f_\alpha(a)=e^{-\pi\alpha|a|^2}\ (a\in A\setminus\{0\}),\quad \widehat f_\alpha(w)=0\ (w\in A^*\setminus\{0\}),fα​≤e−πα∣x∣2,f​α​≥0,fα​(a)=e−πα∣a∣2 (a∈A∖{0}),f​α​(w)=0 (w∈A∗∖{0}),

given for α≥1\alpha\ge1α≥1 by the paper's explicit atomic interpolation construction.

Goal: Theorem 1.1 (universal energy minimum)

For every smooth nonnegative completely monotone ggg and every locally finite C\mathcal CC of centered disk density one,

Eg(C) ≥ ∑a∈A∖{0}g(∣a∣2) = Eg(A)in [0,∞].E_g(\mathcal C)\ \ge\ \sum_{a\in A\setminus\{0\}}g(|a|^2)\ =\ E_g(A)\qquad\text{in }[0,\infty].Eg​(C) ≥ a∈A∖{0}∑​g(∣a∣2) = Eg​(A)in [0,∞].

Lean: OAI.AtomicTriangular.universal_energy_minimum, open on the platform.

Significance

Theorem 1.1 would settle the planar case of the Cohn–Kumar universal-optimality conjecture in a density-based competitor class with no periodicity or perturbation assumption, for every completely monotone potential including those (such as t−pt^{-p}t−p with p≤1p\le1p≤1) whose lattice sums diverge. By Bernstein's theorem such potentials are mixtures of Gaussians, so the sharp Gaussian certificates of Theorem 1.2 are the analytic core. The theorem identifies the minimum value; it does not classify minimizers. The result is claimed in an OpenAI preprint that has not been peer reviewed; no machine-checked proof exists. A formalization would also produce reusable Fourier-analytic tools in Lean (Poisson summation for lattices, linear-programming energy bounds).

Difficulty

Lattice-restricted results (Rankin, Montgomery) compare only lattices; a competitor here may be nonperiodic, have arbitrarily close pairs, and have large local clustering. The Fourier linear-programming method handles general competitors but needs, for each Gaussian, an auxiliary function that is simultaneously a pointwise minorant, has nonnegative Fourier transform, and is sharp: it must touch the Gaussian on every lattice shell and its transform must vanish on every dual shell. Constructing such functions for all α>0\alpha>0α>0 at once, with rigorous sign control between the interpolation nodes, is the central obstacle. A second issue is passing from the density hypothesis alone (no averaging over translates) to the energy inequality.

Formalization scope

  • Points live in EuclideanSpace ℝ (Fin 2); A is Set.range triangularPoint.
  • AdmissiblePotential g: ContDiffOn ℝ ⊤ g (Ioi 0), g≥0g\ge0g≥0 and (−1)r(-1)^r(−1)r iteratedDeriv r g t ≥0\ge0≥0 for t>0t>0t>0.
  • energy g C is the liminf over R→∞R\to\inftyR→∞ of diskEnergy, valued in ℝ≥0∞; latticeEnergy g is a tsum in ℝ≥0∞, so divergent sums are allowed and no summability hypothesis is needed.
  • The goal returns both the inequality for every admissible C and the equality latticeEnergy g = energy g A.
  • For Theorem 1.2, realFourier is Mathlib's 𝓕 (kernel e−2πi⟨x,ξ⟩e^{-2\pi i\langle x,\xi\rangle}e−2πi⟨x,ξ⟩) applied to the complexified function; the α≥1\alpha\ge1α≥1 clause names the paper's explicit coefficients (R, R0, Yf, Uplus, Uminus) and error bounds.

Contributions formalizing Lemma 2.1 (reciprocal Gaussian parameters), Proposition 2.3 (density-only linear programming), Lemma 4.1 (finite certificate) and Proposition 5.1 (exact interpolation and approximation) are welcome.

Selected references

  • OpenAI, An atomic certificate for triangular-lattice universal optimality, preprint, September 26, 2026. https://github.com/openai/math/blob/adc7f1241b42e322a6451854ab7e4b4c146bf78a/preprints/An-atomic-certificate-for-triangular-lattice-universal-optimality-September-26-2026/paper.pdf
  • H. Cohn, A. Kumar, Universally optimal distribution of points on spheres, J. Amer. Math. Soc., 2007. https://doi.org/10.1090/S0894-0347-06-00546-7
  • H. Cohn, A. Kumar, S. D. Miller, D. Radchenko, M. Viazovska, Universal optimality of the E8 and Leech lattices and interpolation formulas, Ann. of Math., 2022. https://doi.org/10.4007/annals.2022.196.3.3
  • H. Cohn, N. Elkies, New upper bounds on sphere packings I, Ann. of Math., 2003. https://doi.org/10.4007/annals.2003.157.689
  • H. Cohn, M. de Courcy-Ireland, The Gaussian core model in high dimensions, Duke Math. J., 2018. https://doi.org/10.1215/00127094-2018-0018
  • H. L. Montgomery, Minimal theta functions, Glasgow Math. J., 1988. https://doi.org/10.1017/S0017089500007047
  • R. A. Rankin, A minimum problem for the Epstein zeta-function, 1953. https://doi.org/10.1017/S2040618500035668
  • D. Radchenko, M. Viazovska, Fourier interpolation on the real line, Publ. Math. IHÉS, 2019. https://doi.org/10.1007/s10240-018-0101-z
  • T. Leblé, The hexagonal lattice is universally locally optimal, preprint, 2025. https://arxiv.org/abs/2511.03353
2 thms1 active userReviewed
Graph TheoryProbability·Captain: mikedeng1

Ising Models on Locally Tree-Like Graphs 2: With a Positive Field, Belief Propagation Converges Exponentially Fast from Every Positive Initial ConditionResearch Paper

Motivation

Belief propagation (BP) is the message-passing algorithm used throughout artificial intelligence, coding theory and statistical physics to approximate marginals of graphical models. On graphs with cycles it is a heuristic: it may fail to converge, and when it converges its output need not be the true marginal. Rigorous guarantees had mostly been confined to the high-temperature regime, as a consequence of a uniform decay of correlations (spatial mixing) under which any boundary condition is forgotten; see the works cited as [3, 23, 26] in §1 of the paper.

Dembo and Montanari (arXiv:0804.4726v3, Ann. Appl. Probab. 20 (2010)) proved that for the ferromagnetic Ising model with a positive external field, BP converges exponentially fast on every graph of bounded degree, at every temperature, and that on locally tree-like graphs its fixed point computes local marginals accurately. The low-temperature regime, where the Gibbs measure on the limiting infinite tree is not unique, is the point: the field breaks the ±\pm± symmetry, and monotonicity replaces spatial mixing.

Setting

Let G=(V,E)G=(V,E)G=(V,E) be a finite graph in which every vertex has at most Δ\DeltaΔ neighbours, β≥0\beta\ge0β≥0 an inverse temperature and BBB a magnetic field. The Ising model on GGG is the distribution on spin configurations x‾∈{+1,−1}V\underline x\in\{+1,-1\}^Vx​∈{+1,−1}V

μ(x‾)=1Z(β,B)exp⁡{β∑(i,j)∈Exixj+B∑i∈Vxi}.\mu(\underline x)=\frac1{Z(\beta,B)}\exp\Big\{\beta\sum_{(i,j)\in E}x_ix_j+B\sum_{i\in V}x_i\Big\}.μ(x​)=Z(β,B)1​exp{β(i,j)∈E∑​xi​xj​+Bi∈V∑​xi​}.

More generally one allows a field BiB_iBi​ at each vertex, and Bi=+∞B_i=+\inftyBi​=+∞ (a vertex pinned to +1+1+1).

A message νi→j\nu_{i\to j}νi→j​ is a distribution on xi∈{+1,−1}x_i\in\{+1,-1\}xi​∈{+1,−1} attached to the directed edge i→ji\to ji→j. The BP iteration is

νi→j(t+1)(xi)=1zi→j(t) eBxi∏l∈∂i∖j ∑xleβxixl νl→i(t)(xl),\nu^{(t+1)}_{i\to j}(x_i)=\frac1{z^{(t)}_{i\to j}}\,e^{Bx_i}\prod_{l\in\partial i\setminus j}\ \sum_{x_l}e^{\beta x_ix_l}\,\nu^{(t)}_{l\to i}(x_l),νi→j(t+1)​(xi​)=zi→j(t)​1​eBxi​l∈∂i∖j∏​ xl​∑​eβxi​xl​νl→i(t)​(xl​),

with ∂i\partial i∂i the neighbours of iii and zi→j(t)z^{(t)}_{i\to j}zi→j(t)​ a normalization. An initial condition is positive if νi→j(0)(+1)≥νi→j(0)(−1)\nu^{(0)}_{i\to j}(+1)\ge\nu^{(0)}_{i\to j}(-1)νi→j(0)​(+1)≥νi→j(0)​(−1) on every directed edge. Distances between distributions are in total variation, ∥p−q∥TV=12∑x∣p(x)−q(x)∣\|p-q\|_{\mathrm{TV}}=\tfrac12\sum_x|p(x)-q(x)|∥p−q∥TV​=21​∑x​∣p(x)−q(x)∣.

For i∗∈Vi_*\in Vi∗​∈V, U=Bi∗(r)U=\mathsf B_{i_*}(r)U=Bi∗​​(r) is the ball of radius rrr, ∂U\partial U∂U its vertices at distance exactly rrr, and j(i)j(i)j(i) a neighbour in UUU of each i∈∂Ui\in\partial Ui∈∂U. Given a BP fixed point ν∗\nu^*ν∗, the BP estimate of the marginal on UUU is

νU(x‾U)=1zUexp⁡{β∑(i,j)∈EUxixj+B∑i∈U∖∂Uxi}∏i∈∂Uνi→j(i)∗(xi).\nu_U(\underline x_U)=\frac1{z_U}\exp\Big\{\beta\sum_{(i,j)\in E_U}x_ix_j+B\sum_{i\in U\setminus\partial U}x_i\Big\}\prod_{i\in\partial U}\nu^*_{i\to j(i)}(x_i).νU​(x​U​)=zU​1​exp{β(i,j)∈EU​∑​xi​xj​+Bi∈U∖∂U∑​xi​}i∈∂U∏​νi→j(i)∗​(xi​).

The proofs run through Ising models on rooted trees T\mathsf TT: T(ℓ)\mathsf T(\ell)T(ℓ) is the tree of the first ℓ\ellℓ generations, ∂T(ℓ)\partial\mathsf T(\ell)∂T(ℓ) the ℓ\ellℓ-th generation, and μℓ,0\mu^{\ell,0}μℓ,0, μℓ,+\mu^{\ell,+}μℓ,+ the Ising models on T(ℓ)\mathsf T(\ell)T(ℓ) with free and plus boundary conditions (the latter pins ∂T(ℓ)\partial\mathsf T(\ell)∂T(ℓ) to +1+1+1). A random tree is conditionally independent with average offspring bounded by Δ\DeltaΔ if, given the first kkk generations, the offspring numbers of generation kkk are independent with conditional means at most Δ\DeltaΔ (Definition 2.5).

Formalization targets

Goal: Theorem 2.6

For β≥0\beta\ge0β≥0, B>0B>0B>0 and Δ\DeltaΔ, there are A<∞A<\inftyA<∞ and λ>0\lambda>0λ>0 depending only on (β,B,Δ)(\beta,B,\Delta)(β,B,Δ) such that every finite graph of maximal degree Δ\DeltaΔ has a BP fixed point ν∗\nu^*ν∗ with

sup⁡(i,j)∈E∥νi→j(t)−νi→j∗∥TV≤Aexp⁡(−λt)\sup_{(i,j)\in E}\big\|\nu^{(t)}_{i\to j}-\nu^*_{i\to j}\big\|_{\mathrm{TV}}\le A\exp(-\lambda t)(i,j)∈Esup​​νi→j(t)​−νi→j∗​​TV​≤Aexp(−λt)

for every positive initial condition and every t≥0t\ge0t≥0. The constants are uniform over graphs; this uniformity is the content of the theorem.

Companion: Theorem 2.7

With c=c(β,B,Δ)c=c(\beta,B,\Delta)c=c(β,B,Δ) and λ>0\lambda>0λ>0: if Bi∗(t)\mathsf B_{i_*}(t)Bi∗​​(t) is a tree, then ∥μU−νU∥TV≤exp⁡{cr+1−λ(t−r)}\|\mu_U-\nu_U\|_{\mathrm{TV}}\le\exp\{c^{r+1}-\lambda(t-r)\}∥μU​−νU​∥TV​≤exp{cr+1−λ(t−r)}.

Milestones

The tree estimates of §3–§4, in the order the proofs use them: Griffiths' inequality (Theorem 3.1); the GHS inequality (Theorem 3.2); the reweighting bound in total variation (Lemma 3.3); marginals on subtrees (Lemma 4.1); the M/ℓM/\ellM/ℓ bound E{mℓ,+−mℓ,0}≤M/ℓ\mathbb E\{m^{\ell,+}-m^{\ell,0}\}\le M/\ellE{mℓ,+−mℓ,0}≤M/ℓ on root magnetizations (Lemma 4.3); its extension to marginals near the root (Theorem 4.2); a Simon-type factorization of tree correlations (Lemma 4.4); and Corollary 4.5: exponential decay of correlations (4.13), Theorem 4.2 with rate Ae−λtAe^{-\lambda t}Ae−λt, and the root-magnetization bound E{mℓ,+−mℓ,0}≤Ae−λℓ\mathbb E\{m^{\ell,+}-m^{\ell,0}\}\le Ae^{-\lambda\ell}E{mℓ,+−mℓ,0}≤Ae−λℓ.

Significance

The theorem gives an unconditional convergence guarantee for BP on a nontrivial class of models with cycles, valid deep in the low-temperature phase, with a rate independent of the number of vertices. Theorem 2.7 adds that the fixed point is accurate on locally tree-like graphs such as random regular graphs and sparse Erdős–Rényi graphs, so BP is a polynomial-time algorithm for local marginals there. The tree estimates of §4, in particular the insensitivity of the root to plus versus free boundary conditions on conditionally independent trees, are also the engine of the free-entropy theorem of the same paper (mission 1 of this series).

The results are proved in the paper; none of them, nor Griffiths' or the GHS inequality, has a machine-checked proof known to this mission. Formalizing them produces a reusable library for ferromagnetic Ising models on finite graphs and trees (correlation inequalities, pinned boundary conditions, marginals on subtrees) and a formal account of BP as an operator on message families.

Difficulty

The obvious argument is a contraction: show that one BP step shrinks the distance between message families, uniformly over the graph. At low temperature this fails: the BP map is not a contraction, the infinite-tree Ising model has several Gibbs measures, and without a field BP has several fixed points. Uniform decay of correlations, the tool behind high-temperature results, is false in this regime. What has to be controlled instead is a single, weaker quantity: how much the root of a tree of depth ttt feels a plus boundary condition compared with a free one, with a bound that is uniform over all trees of bounded average offspring and over all depths. The difficulty is concentrated in that estimate (Lemma 4.3), and in upgrading its 1/ℓ1/\ell1/ℓ rate to an exponential one (Corollary 4.5), which is where the positive field enters quantitatively.

Formalization scope

Spins are Booleans (true =+1=+1=+1); the edge sum counts each unordered edge once; a field +∞+\infty+∞ is a pinned vertex, never a large real number. Graphs are finite (Fintype V) with all degrees at most Δ\DeltaΔ. Messages are functions on ordered vertex pairs whose values on directed edges are distributions on {+1,−1}\{+1,-1\}{+1,−1}; the BP iterates are computed from the update, not posited. Total variation is 12ℓ1\tfrac12\ell^121​ℓ1. Trees are encoded by offspring functions on finite words (Ulam–Harris), random trees by probability measures on offspring functions with the product σ\sigmaσ-algebra; conditional independence uses Mathlib's iCondIndepFun, with integrable offspring numbers. Fields on trees are nonrandom functions of the vertex. Expectations that may be infinite, such as E{C∣T(r)∣}\mathbb E\{C^{|\mathsf T(r)|}\}E{C∣T(r)∣}, are lower Lebesgue integrals in [0,∞][0,\infty][0,∞], and every expectation of a tree functional comes with a measurability conclusion, so that no integral can take a junk value. Constants are quantified before the graph, the tree law and the field, and, where the paper names their dependence (Theorem 4.2's M(βmax⁡,Bmin⁡,Δ)M(\beta_{\max},B_{\min},\Delta)M(βmax​,Bmin​,Δ) and C(βmax⁡,Bmax⁡)C(\beta_{\max},B_{\max})C(βmax​,Bmax​)), as functions of exactly those parameters.

Two readings are fixed explicitly. Theorem 2.7 is stated for every positive BP fixed point, which by Theorem 2.6 is the paper's fixed point. Corollary 4.5's clause (4.13) carries the hypotheses of Theorem 4.2 (Bi≤Bmax⁡B_i\le B_{\max}Bi​≤Bmax​ on T(r−1)\mathsf T(r-1)T(r−1)). A fixed point that is not a family of distributions, a "zero message" family, or a bound that holds only because an integral defaults to 000 does not satisfy these statements.

The computation tree of §5, through which the paper derives Theorems 2.6–2.7 from Corollary 4.5, is a proof device and is not part of any statement; building it is welcome as supporting work. Proofs of the classical inequalities (Griffiths, GHS) are independently reusable.

Selected references

  • A. Dembo, A. Montanari, Ising models on locally tree-like graphs, Ann. Appl. Probab. 20(2) (2010) 565–592. arXiv:0804.4726v3, doi:10.1214/09-AAP627
  • R. B. Griffiths, C. A. Hurst, S. Sherman, Concavity of magnetization of an Ising ferromagnet in a positive external field, J. Math. Phys. 11 (1970) 790–795. MR0266507
  • T. M. Liggett, Interacting Particle Systems, Grundlehren 276, Springer, 1985 (Theorem IV.1.21, Griffiths' inequality). MR776231
  • B. Simon, Correlation inequalities and the decay of correlations in ferromagnets, Comm. Math. Phys. 77 (1980) 111–126. MR589426
21 thms1 active userReviewed
Graph TheoryProbability·Captain: mikedeng1

Ising Models on Locally Tree-Like Graphs 1: On Uniformly Sparse Locally Tree-Like Graphs the Ising Free Entropy Density Converges to the Bethe PredictionResearch Paper

Motivation

The ferromagnetic Ising model is the basic model of statistical mechanics for interacting binary variables. On a finite graph it is a probability distribution over spin configurations, and its normalizing constant, the partition function, encodes the thermodynamics: the free entropy per vertex determines the magnetization, the correlations, and the location of phase transitions. On lattices this quantity is understood only in special cases. On sparse random graphs, such as random regular graphs and Erdős–Rényi graphs with bounded average degree, physicists predicted it with the cavity method (Mézard and Parisi, The Bethe lattice spin glass revisited, 2001): locally these graphs look like trees, and on trees the model can be solved by a recursion. The same recursion underlies belief propagation, the message-passing algorithm used in coding theory and machine learning.

Timeline:

  • Dembo and Montanari (2008/2010), Ising models on locally tree-like graphs, Ann. Appl. Probab. 20 (2010) 565–592: for every uniformly sparse graph sequence converging locally to a Galton–Watson tree whose offspring law has finite mean, the free entropy density converges at every temperature β≥0\beta \ge 0β≥0 and every field BBB, and for B>0B > 0B>0 the limit is the Bethe prediction. Earlier rigorous results covered special cases, among them Erdős–Rényi graphs in a restricted range of parameters (reference [7] of the paper) and random regular graphs (reference [11]).
  • Dembo, Montanari and Sun (2013), Factor models on locally tree-like graphs, extended the approach to a class of factor models on locally tree-like graphs.

Setting

Let Gn=(Vn=[n],En)G_n = (V_n = [n], E_n)Gn​=(Vn​=[n],En​) be a sequence of finite graphs. The Ising measure at inverse temperature β≥0\beta \ge 0β≥0 and magnetic field B∈RB \in \mathbb RB∈R is

μ(x‾)=1Zn(β,B)exp⁡{β∑(i,j)∈Enxixj+B∑i∈Vnxi},xi∈{+1,−1},\mu(\underline x) = \frac{1}{Z_n(\beta,B)} \exp\Big\{\beta \sum_{(i,j)\in E_n} x_i x_j + B \sum_{i \in V_n} x_i\Big\}, \qquad x_i \in \{+1,-1\},μ(x​)=Zn​(β,B)1​exp{β(i,j)∈En​∑​xi​xj​+Bi∈Vn​∑​xi​},xi​∈{+1,−1},

each edge counted once, and the free entropy density is ϕn(β,B)=1nlog⁡Zn(β,B)\phi_n(\beta,B) = \frac1n \log Z_n(\beta,B)ϕn​(β,B)=n1​logZn​(β,B).

A degree distribution is a law P={Pk}P = \{P_k\}P={Pk​} on {0,1,2,… }\{0,1,2,\dots\}{0,1,2,…} with 0<Pˉ=∑kkPk<∞0 < \bar P = \sum_k k P_k < \infty0<Pˉ=∑k​kPk​<∞; its size-biased version is ρk=kPk/Pˉ\rho_k = k P_k/\bar Pρk​=kPk​/Pˉ, and ρˉ=∑k(k−1)ρk\bar\rho = \sum_k (k-1)\rho_kρˉ​=∑k​(k−1)ρk​. The Galton–Watson tree T(P,ρ,∞)T(P,\rho,\infty)T(P,ρ,∞) has a root with kkk children with probability PkP_kPk​, and every other vertex independently has k−1k-1k−1 children with probability ρk\rho_kρk​; T(P,ρ,t)T(P,\rho,t)T(P,ρ,t) is its first ttt generations.

The ball Bi(t)B_i(t)Bi​(t) is the subgraph induced by the vertices within distance ttt of iii, rooted at iii. The sequence converges locally to T(P,ρ,∞)T(P,\rho,\infty)T(P,ρ,∞) if, for every ttt and every rooted tree TTT, the fraction of vertices iii with Bi(t)≃TB_i(t) \simeq TBi​(t)≃T (root-preserving isomorphism) tends to P{T(P,ρ,t)≃T}\mathbb P\{T(P,\rho,t) \simeq T\}P{T(P,ρ,t)≃T}. It is uniformly sparse if lim⁡l→∞lim sup⁡n1n∑i∣∂i∣ I(∣∂i∣≥l)=0\lim_{l\to\infty}\limsup_n \frac1n\sum_i |\partial i|\,\mathbb I(|\partial i| \ge l) = 0liml→∞​limsupn​n1​∑i​∣∂i∣I(∣∂i∣≥l)=0.

The cavity recursion acts on laws of a real random variable hhh:

h=dB+∑i=1K−1ξ(β,hi),ξ(β,h)=atanh⁡[tanh⁡βtanh⁡h],h \overset{d}{=} B + \sum_{i=1}^{K-1} \xi(\beta, h_i), \qquad \xi(\beta,h) = \operatorname{atanh}[\tanh\beta \tanh h],h=dB+i=1∑K−1​ξ(β,hi​),ξ(β,h)=atanh[tanhβtanhh],

with K∼ρK \sim \rhoK∼ρ and hih_ihi​ i.i.d. copies of hhh independent of KKK. For B>0B > 0B>0 it has a unique fixed point h∗h^*h∗ supported on [0,∞)[0,\infty)[0,∞). The Bethe functional of a law of hhh is

φh(β,B)=Pˉ2log⁡cosh⁡β−Pˉ2Elog⁡[1+tanh⁡βtanh⁡h1tanh⁡h2]+Elog⁡{eB∏i=1L[1+tanh⁡βtanh⁡hi]+e−B∏i=1L[1−tanh⁡βtanh⁡hi]},\varphi_h(\beta,B) = \frac{\bar P}{2}\log\cosh\beta - \frac{\bar P}{2}\mathbb E\log[1+\tanh\beta\tanh h_1\tanh h_2] + \mathbb E\log\Big\{e^B\prod_{i=1}^L[1+\tanh\beta\tanh h_i] + e^{-B}\prod_{i=1}^L[1-\tanh\beta\tanh h_i]\Big\},φh​(β,B)=2Pˉ​logcoshβ−2Pˉ​Elog[1+tanhβtanhh1​tanhh2​]+Elog{eBi=1∏L​[1+tanhβtanhhi​]+e−Bi=1∏L​[1−tanhβtanhhi​]},

with L∼PL \sim PL∼P independent of the hih_ihi​.

Formalization targets

Goal: Theorem 2.4

Assume {Gn}\{G_n\}{Gn​} is uniformly sparse, converges locally to T(P,ρ,∞)T(P,\rho,\infty)T(P,ρ,∞), and ∑kkρk<∞\sum_k k\rho_k < \infty∑k​kρk​<∞. Then for every β≥0\beta \ge 0β≥0:

lim⁡n→∞ϕn(β,B)=φh∗(β,∣B∣)(B≠0),\lim_{n\to\infty}\phi_n(\beta,B) = \varphi_{h^*}(\beta,|B|) \quad (B \ne 0),n→∞lim​ϕn​(β,B)=φh∗​(β,∣B∣)(B=0),

and φh∗(β,B)\varphi_{h^*}(\beta,B)φh∗​(β,B) has a limit L0L_0L0​ as B↓0B \downarrow 0B↓0, with ϕn(β,0)→L0\phi_n(\beta,0) \to L_0ϕn​(β,0)→L0​. This is the paper's statement that the limit exists for every BBB, equals (2.9) for B>0B > 0B>0, is even in BBB, and is continuous at B=0B = 0B=0.

Milestones

  1. Tools on Ising models: Griffiths' inequality (Theorem 3.1), the GHS inequality (Theorem 3.2), the subtree-marginal identity (Lemma 4.1).
  2. Trees: the boundary effect on the root magnetization, E{mℓ,+−mℓ,0}≤M/ℓ\mathbb E\{m^{\ell,+}-m^{\ell,0}\} \le M/\ellE{mℓ,+−mℓ,0}≤M/ℓ (Lemma 4.3); the correlation factorization (Lemma 4.4); exponential decay of root-to-generation correlations (Corollary 4.5, (4.13)).
  3. The recursion: monotone convergence to the unique nonnegative fixed point (Lemma 2.3) and its Lipschitz dependence on β\betaβ in Monge–Kantorovich distance (Lemma 4.6).
  4. The Bethe functional: the second-order perturbation bound (Lemma 6.1, Remark 6.2) and its consequence, stationarity of φh\varphi_hφh​ at fixed points (Corollary 6.3, with corrected constant).
  5. From trees to graphs: edge averages converge to averages over the edge-rooted tree Tˉ(ρ,t)\bar T(\rho,t)Tˉ(ρ,t) (Lemma 6.4), and ∂βϕn=1n∑(i,j)∈En⟨xixj⟩n\partial_\beta\phi_n = \frac1n\sum_{(i,j)\in E_n}\langle x_ix_j\rangle_n∂β​ϕn​=n1​∑(i,j)∈En​​⟨xi​xj​⟩n​ (6.10).

Significance

The result. Theorem 2.4 establishes the replica-symmetric (Bethe) formula for the ferromagnetic Ising model on the standard sparse random graph ensembles at all temperatures, including below the critical temperature tanh⁡βc=1/ρˉ\tanh\beta_c = 1/\bar\rhotanhβc​=1/ρˉ​ where the Gibbs measure on the limiting tree is not unique. It identifies the free energy of random regular graphs, Erdős–Rényi graphs and configuration models with arbitrary degree distributions of finite variance, and the derivative identities that follow give the limiting magnetization and energy per edge. The tree estimates of Section 4 also yield the convergence of belief propagation (the companion mission of this series).

Formalizing it. The theorem is proved; nothing in this mission has been machine-checked before. A formal proof requires infrastructure that Lean's Mathlib does not have: Ising measures with boundary conditions, correlation inequalities, Galton–Watson trees as laws of offspring functions, local weak convergence of graph sequences, distributional fixed-point equations, and the Monge–Kantorovich distance on the real line. While stating the milestones, Corollary 6.3 turned out to be false as printed (the constant Pˉρˉ\bar P\bar\rhoPˉρˉ​ should be E[L2]\mathbb E[L^2]E[L2]; a counterexample is P=δ1P = \delta_1P=δ1​); the mission states the corrected version, which is what the paper's proof gives.

Difficulty

The obvious route through uniqueness of the Gibbs measure on the tree fails below the critical temperature: different boundary conditions give different limits, so local quantities are not determined by the local graph structure alone. The paper replaces uniqueness by insensitivity to positive boundary conditions when B>0B > 0B>0 (Lemma 4.3), which rests on Griffiths and GHS monotonicity and on averaging over the random tree; the deterministic statement is false. Passing from derivatives to the free entropy itself requires that the Bethe functional be stationary in the cavity law (Corollary 6.3), so that the β\betaβ-dependence of h∗h^*h∗ can be ignored. Finally, the case B=0B = 0B=0 at low temperature is reached only as a limit: there is no fixed-point characterization at B=0B = 0B=0.

Formalization scope

  • Spins are Booleans (+1+1+1 = true); edges are unordered and counted once. Graphs GnG_nGn​ live on Fin n.
  • A field Bi=+∞B_i = +\inftyBi​=+∞ (plus boundary) is encoded by pinning vertex iii to +1+1+1, never by a large real field.
  • Rooted trees are offspring functions List ℕ → ℕ in Ulam–Harris form; random trees are laws of offspring functions under the product σ-algebra. Galton–Watson trees are infinite product measures. Fields on trees are nonrandom functions of the vertex.
  • Laws of cavity fields are probability measures on R\mathbb RR; the recursion is a map on ProbabilityMeasure ℝ, and convergence in distribution is weak convergence. Expectations over L∼PL \sim PL∼P are series ∑lPl E[⋅]\sum_l P_l\,\mathbb E[\cdot]∑l​Pl​E[⋅] with product laws.
  • The Monge–Kantorovich distance takes values in [0,∞][0,\infty][0,∞]. Uniform sparsity is computed in [0,∞][0,\infty][0,∞] so that an unbounded sequence does not get a junk lim sup⁡\limsuplimsup of 000.
  • The fixed point h∗h^*h∗ in the goal is the one supported on [0,∞)[0,\infty)[0,∞), selected by choice; Lemma 2.3 shows it exists and is unique, so an arbitrary fixed point cannot be substituted. Theorem 2.4 is stated with β≥0\beta \ge 0β≥0 and asserts convergence for B>0B > 0B>0, B<0B < 0B<0 and B=0B = 0B=0 separately; the B=0B = 0B=0 clause asserts the existence of the one-sided limit rather than assuming it.

A complete development needs: Griffiths and GHS inequalities for finite Ising models (reusable for any ferromagnetic model); Ulam–Harris random trees with conditional independence; local weak convergence of graph sequences (reusable for random graph theory); distributional recursions with stochastic ordering; and the coupling characterization of the Wasserstein-1 distance on R\mathbb RR. Contributions of any milestone are welcome, as are proofs of the classical inequalities of Section 3 independent of this paper.

Selected references

  • A. Dembo, A. Montanari, Ising models on locally tree-like graphs, Ann. Appl. Probab. 20(2) (2010) 565–592. https://arxiv.org/abs/0804.4726v3 , https://doi.org/10.1214/09-AAP627
  • M. Mézard, G. Parisi, The Bethe lattice spin glass revisited, Eur. Phys. J. B 20 (2001) 217–233. https://doi.org/10.1007/PL00011099
  • R. B. Griffiths, C. A. Hurst, S. Sherman, Concavity of magnetization of an Ising ferromagnet in a positive external field, J. Math. Phys. 11 (1970) 790–795. https://doi.org/10.1063/1.1665211
  • T. M. Liggett, Interacting Particle Systems, Springer, 1985 (Theorem IV.1.21, Griffiths' inequality). https://doi.org/10.1007/978-1-4613-8542-4
  • A. Dembo, A. Montanari, N. Sun, Factor models on locally tree-like graphs, Ann. Probab. 41(6) (2013) 4162–4213. https://doi.org/10.1214/12-AOP828
27 thms1 active userReviewed
Control TheoryOptimizationPartial Differential Equations+2·Captain: mikedeng1

Optimization of Mean-field Spin Glasses III: The Lagrangian Value of the Stochastic Control Problem Equals the Parisi FunctionalResearch Paper

Motivation

The ground-state energy of a mixed ppp-spin spin glass, OPTN=max⁡σ∈{±1}NHN(σ)/N\mathsf{OPT}_N=\max_{\sigma\in\{\pm1\}^N}H_N(\sigma)/NOPTN​=maxσ∈{±1}N​HN​(σ)/N, converges almost surely to the infimum of the Parisi functional over non-decreasing order parameters (Auffinger–Chen 2017). El Alaoui, Montanari and Sellke (arXiv:2001.00904v1) study algorithms that find near-optimal configurations. They introduce incremental approximate message passing (IAMP) and show that, among a broad class of such algorithms, the best achievable energy is the infimum of the Parisi functional over a larger space of order parameters (their Theorem 4).

The upper bound in Theorem 4 is reduced, in Section 4 of the paper, to a stochastic optimal control problem. The energy reached by a message-passing algorithm becomes the objective of a control problem driven by a Brownian motion, with a terminal constraint and a variance constraint. The variance constraint is removed by a Lagrange multiplier 12ξ′′γ\tfrac12\xi''\gamma21​ξ′′γ. Proposition 4.1 states that the resulting Lagrangian value is exactly the Parisi functional P(γ)\mathsf P(\gamma)P(γ). This mission formalizes that duality and the verification argument behind it (Section 7).

Setting

Mixture. Real coefficients (ck)k≥2(c_k)_{k\ge2}(ck​)k≥2​ define the mixture ξ(t)=∑k≥2ck2tk\xi(t)=\sum_{k\ge2}c_k^2t^kξ(t)=∑k≥2​ck2​tk, with the standing assumption ξ(1+ε)<∞\xi(1+\varepsilon)<\inftyξ(1+ε)<∞ for some ε>0\varepsilon>0ε>0. Its derivatives ξ′\xi'ξ′, ξ′′\xi''ξ′′ are nonnegative and nondecreasing on [0,1][0,1][0,1].

Order parameters. SF+\mathsf{SF}_+SF+​ is the set of nonnegative step functions

γ=∑i=1mγi I[ti−1,ti),0=t0<t1<⋯<tm=1, γi≥0.\gamma=\sum_{i=1}^m\gamma_i\,\mathbb I_{[t_{i-1},t_i)},\qquad 0=t_0<t_1<\dots<t_m=1,\ \gamma_i\ge0 .γ=i=1∑m​γi​I[ti−1​,ti​)​,0=t0​<t1​<⋯<tm​=1, γi​≥0.

Put ν(t)=∫t1ξ′′(s)γ(s) ds\nu(t)=\int_t^1\xi''(s)\gamma(s)\,dsν(t)=∫t1​ξ′′(s)γ(s)ds.

Parisi PDE and functional. Φγ:[0,1]×R→R\Phi_\gamma:[0,1]\times\mathbb R\to\mathbb RΦγ​:[0,1]×R→R solves

∂tΦγ+12ξ′′(t)(∂x2Φγ+γ(t)(∂xΦγ)2)=0,Φγ(1,x)=∣x∣.\partial_t\Phi_\gamma+\tfrac12\xi''(t)\big(\partial_x^2\Phi_\gamma+\gamma(t)(\partial_x\Phi_\gamma)^2\big)=0,\qquad\Phi_\gamma(1,x)=|x| .∂t​Φγ​+21​ξ′′(t)(∂x2​Φγ​+γ(t)(∂x​Φγ​)2)=0,Φγ​(1,x)=∣x∣.

For γ∈SF+\gamma\in\mathsf{SF}_+γ∈SF+​ it is given explicitly by the Cole–Hopf recursion: with r(t)=ξ′(1)−ξ′(t)r(t)=\xi'(1)-\xi'(t)r(t)=ξ′(1)−ξ′(t) and G∼N(0,1)G\sim\mathsf N(0,1)G∼N(0,1), for t∈[ti−1,ti)t\in[t_{i-1},t_i)t∈[ti−1​,ti​),

Φγ(t,x)=1γilog⁡Eexp⁡{γiΦγ(ti,x+r(t)−r(ti) G)}.\Phi_\gamma(t,x)=\frac1{\gamma_i}\log\mathbb E\exp\big\{\gamma_i\Phi_\gamma(t_i,x+\sqrt{r(t)-r(t_i)}\,G)\big\}.Φγ​(t,x)=γi​1​logEexp{γi​Φγ​(ti​,x+r(t)−r(ti​)​G)}.

The Parisi functional is P(γ)=Φγ(0,0)−12∫01t ξ′′(t)γ(t) dt\mathsf P(\gamma)=\Phi_\gamma(0,0)-\tfrac12\int_0^1t\,\xi''(t)\gamma(t)\,dtP(γ)=Φγ​(0,0)−21​∫01​tξ′′(t)γ(t)dt.

Control problem. Let BBB be a standard Brownian motion. A control u∈D[t,1]u\in D[t,1]u∈D[t,1] is a process on [t,1][t,1][t,1], progressively measurable for the filtration of (Br)r∈[t,1](B_r)_{r\in[t,1]}(Br​)r∈[t,1]​, with E∫t1ξ′′(s)us2 ds<∞\mathbb E\int_t^1\xi''(s)u_s^2\,ds<\inftyE∫t1​ξ′′(s)us2​ds<∞. The value is

Jγ(t,z)=sup⁡u∈D[t,1]E[∫t1ξ′′(s)us ds+12∫t1ν(s)(ξ′′(s)us2−1)ds]s.t.z+∫t1ξ′′(s) us dBs∈(−1,1) a.s.\mathcal J_\gamma(t,z)=\sup_{u\in D[t,1]}\mathbb E\Big[\int_t^1\xi''(s)u_s\,ds+\frac12\int_t^1\nu(s)\big(\xi''(s)u_s^2-1\big)ds\Big]\quad\text{s.t.}\quad z+\int_t^1\sqrt{\xi''(s)}\,u_s\,dB_s\in(-1,1)\ \text{a.s.}Jγ​(t,z)=u∈D[t,1]sup​E[∫t1​ξ′′(s)us​ds+21​∫t1​ν(s)(ξ′′(s)us2​−1)ds]s.t.z+∫t1​ξ′′(s)​us​dBs​∈(−1,1) a.s.

Candidate value function. With Φγ∗(t,z)=inf⁡x{Φγ(t,x)−xz}\Phi^*_\gamma(t,z)=\inf_x\{\Phi_\gamma(t,x)-xz\}Φγ∗​(t,z)=infx​{Φγ​(t,x)−xz},

V(t,z)=Φγ∗(t,z)−12ν(t)z2−12∫t1ν(s) ds.V(t,z)=\Phi^*_\gamma(t,z)-\tfrac12\nu(t)z^2-\tfrac12\int_t^1\nu(s)\,ds .V(t,z)=Φγ∗​(t,z)−21​ν(t)z2−21​∫t1​ν(s)ds.

Formalization targets

Goal: Proposition 4.1

Jγ(0,0)=P(γ)for every γ∈SF+.\mathcal J_\gamma(0,0)=\mathsf P(\gamma)\qquad\text{for every }\gamma\in\mathsf{SF}_+ .Jγ​(0,0)=P(γ)for every γ∈SF+​.

Milestones

  1. Lemma 7.2 (a)–(e): Φγ(t,⋅)\Phi_\gamma(t,\cdot)Φγ​(t,⋅) is smooth for t<1t<1t<1, with derivatives jointly continuous on [0,1)×R[0,1)\times\mathbb R[0,1)×R and C1C^1C1 in time where γ\gammaγ is constant. The range of ∂xΦγ(t,⋅)\partial_x\Phi_\gamma(t,\cdot)∂x​Φγ​(t,⋅) is (−1,1)(-1,1)(−1,1), it is strictly increasing, and 0<∂x2Φγ(t′,x)≤C(t,γ)0<\partial_x^2\Phi_\gamma(t',x)\le C(t,\gamma)0<∂x2​Φγ​(t′,x)≤C(t,γ) for t′≤tt'\le tt′≤t.
  2. Envelope identities (proof of Lemma 7.3): ∂zΦγ∗(t,z)=−xt∗(z)\partial_z\Phi^*_\gamma(t,z)=-x^*_t(z)∂z​Φγ∗​(t,z)=−xt∗​(z) and ∂z2Φγ∗(t,z)=−1/∂x2Φγ(t,xt∗(z))\partial_z^2\Phi^*_\gamma(t,z)=-1/\partial_x^2\Phi_\gamma(t,x^*_t(z))∂z2​Φγ∗​(t,z)=−1/∂x2​Φγ​(t,xt∗​(z)), where xt∗(z)x^*_t(z)xt∗​(z) is the unique root of ∂xΦγ(t,x)=z\partial_x\Phi_\gamma(t,x)=z∂x​Φγ​(t,x)=z.
  3. Lemma 7.3: VVV solves the HJB equation
∂tV+ξ′′(t)sup⁡λ∈R{λ+λ22(ν(t)+∂z2V)}−12ν(t)=0,V(1,z)=0.\partial_tV+\xi''(t)\sup_{\lambda\in\mathbb R}\Big\{\lambda+\frac{\lambda^2}{2}\big(\nu(t)+\partial_z^2V\big)\Big\}-\frac12\nu(t)=0,\qquad V(1,z)=0 .∂t​V+ξ′′(t)λ∈Rsup​{λ+2λ2​(ν(t)+∂z2​V)}−21​ν(t)=0,V(1,z)=0.
  1. Evaluation at the origin: V(0,0)=P(γ)V(0,0)=\mathsf P(\gamma)V(0,0)=P(γ).
  2. Proposition 7.1: Jγ(t,z)=V(t,z)\mathcal J_\gamma(t,z)=V(t,z)Jγ​(t,z)=V(t,z) for all (t,z)∈[0,1]×(−1,1)(t,z)\in[0,1]\times(-1,1)(t,z)∈[0,1]×(−1,1).

Proposition 7.1 at (0,0)(0,0)(0,0) together with milestone 4 gives the goal.

Significance

The result. By integration by parts (Eq. (4.4) of the paper), Jγ(0,0)\mathcal J_\gamma(0,0)Jγ​(0,0) bounds the value of the constrained control problem (4.2). That problem in turn bounds the asymptotic energy of every message-passing algorithm in the class of Theorem 4. Proposition 4.1 turns the bound into inf⁡γ∈SF+P(γ)\inf_{\gamma\in\mathsf{SF}_+}\mathsf P(\gamma)infγ∈SF+​​P(γ), which is the analytic core of the optimality statement for IAMP. It is also an instance of a broader principle: the Parisi functional has a stochastic-control representation (Jagannath–Tobasco 2016).

Formalizing it. The result is proved in the paper; no machine-checked version exists. A complete formalization needs a verification theorem for a control problem with a state constraint (M1∈(−1,1)M_1\in(-1,1)M1​∈(−1,1)), Itô's formula for a C1,2C^{1,2}C1,2 function that is only piecewise C1C^1C1 in time, and quantitative regularity of the Cole–Hopf solution. Each of these is reusable well beyond spin glasses.

Difficulty

The value function Jγ\mathcal J_\gammaJγ​ is not known to be smooth, and the dynamic-programming equation (4.6) is only heuristic. The proof therefore guesses a solution and verifies it. Two steps carry the difficulty.

First, the guess VVV is a Legendre transform. Its regularity, and the sign ν+∂z2V<0\nu+\partial_z^2V<0ν+∂z2​V<0 that makes the HJB supremum finite, rest on strict convexity and bounded curvature of Φγ(t,⋅)\Phi_\gamma(t,\cdot)Φγ​(t,⋅) (Lemma 7.2). These must be proved by induction through the Cole–Hopf recursion, including the steps with γi=0\gamma_i=0γi​=0.

Second, the verification argument applies Itô's formula to V(s,Msu)V(s,M^u_s)V(s,Msu​), where MuM^uMu is a martingale confined to (−1,1)(-1,1)(−1,1) and VVV is only C1C^1C1 in time between the jumps of γ\gammaγ. The boundary θ→1\theta\to1θ→1 needs a dominated-convergence argument, and attaining the supremum needs an explicit optimal feedback control built from an SDE.

Formalization scope

  • Mixture. ξ\xiξ is a coefficient sequence c:N→Rc:\mathbb N\to\mathbb Rc:N→R with c0=c1=0c_0=c_1=0c0​=c1​=0 imposed. ξ′\xi'ξ′ and ξ′′\xi''ξ′′ are explicit termwise series.
  • Step functions. SF+\mathsf{SF}_+SF+​ is represented by its data (breakpoints and values). γ\gammaγ is extended by 000 outside [0,1)[0,1)[0,1); its value at t=1t=1t=1 never matters.
  • Cole–Hopf. Φγ\Phi_\gammaΦγ​ is defined by the recursion. When γi=0\gamma_i=0γi​=0, the recursion uses its limit, the heat semigroup, instead of dividing by zero. Expectations over GGG are integrals against gaussianReal 0 1.
  • Derivatives. Space derivatives are deriv/iteratedDeriv. Time derivatives are right derivatives, because γ\gammaγ jumps.
  • Legendre transform. Φγ∗\Phi^*_\gammaΦγ∗​ is a real infimum, used only for ∣z∣<1|z|<1∣z∣<1, where it is bounded below.
  • Brownian motion and filtration. BBB is a Mathlib IsBrownianReal process on R≥0\mathbb R_{\ge0}R≥0​, with each BrB_rBr​ measurable. The filtration is Fst=σ(Br:t≤r≤s)\mathcal F^t_s=\sigma(B_r:t\le r\le s)Fst​=σ(Br​:t≤r≤s).
  • Stochastic integral. It is the L2L^2L2 Itô integral of the published definition Peng1990.SMP.IsItoIntegral (horizon 111), whose integrability class is exactly E∫ξ′′u2<∞\mathbb E\int\xi''u^2<\inftyE∫ξ′′u2<∞.
  • Supremum. Jγ(t,z)=v\mathcal J_\gamma(t,z)=vJγ​(t,z)=v is stated as "vvv is the least upper bound of the objective values of admissible controls" (IsLUB), never as a real sSup. A default value of an empty or unbounded supremum therefore cannot make a statement trivially true.
  • Disclosed hypothesis. Lemma 7.2, the envelope identities and Lemma 7.3 assume that ξ\xiξ is not identically zero (some ck≠0c_k\neq0ck​=0). For ξ≡0\xi\equiv0ξ≡0 one has Φγ(t,x)=∣x∣\Phi_\gamma(t,x)=|x|Φγ​(t,x)=∣x∣ for all ttt, and these statements fail. Proposition 7.1, the evaluation at the origin and the goal need no such hypothesis.
  • Lemma 7.3. The statement includes the inequality ν+∂z2V<0\nu+\partial_z^2V<0ν+∂z2​V<0, which the page proves. This rules out reading the HJB supremum as a default value.

The paper's algorithmic results (Theorems 2–4, Corollary 2.2) are out of scope. They need the AMP and state-evolution machinery of Section 5 and Appendix A, and an informal model of computation. The optional bound (4.4) is not stated.

Welcome contributions include the regularity of Cole–Hopf solutions (Gaussian convolution, log-moment-generating functions), a general verification theorem for one-dimensional controlled martingales with a terminal state constraint, and Itô's formula for C1,2C^{1,2}C1,2 functions.

Selected references

  • A. El Alaoui, A. Montanari, M. Sellke, Optimization of Mean-field Spin Glasses, arXiv:2001.00904v1, 2020. https://arxiv.org/abs/2001.00904
  • A. Auffinger, W.-K. Chen, Parisi formula for the ground state energy in the mixed p-spin model, Ann. Probab. 45(6b), 2017. https://arxiv.org/abs/1606.05335
  • A. Jagannath, I. Tobasco, A dynamic programming approach to the Parisi functional, Proc. AMS 144, 2016. https://arxiv.org/abs/1502.04398
  • N. Touzi, Optimal Stochastic Control, Stochastic Target Problems, and Backward SDE, Fields Institute Monographs 29, Springer, 2012 (cited as [Tou12] in the paper; the verification argument of Section 7 follows its Theorem 4.1).
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OptimizationPartial Differential EquationsProbability·Captain: mikedeng1

Optimization of Mean-field Spin Glasses I: Every Minimizer of the Extended Parisi Functional Has Full SupportResearch Paper

Motivation

The Ising mixed ppp-spin model assigns to each configuration σ∈{−1,+1}N\sigma \in \{-1,+1\}^Nσ∈{−1,+1}N the energy of a random polynomial whose covariance is E{HN(σ)HN(σ′)}=Nξ(⟨σ,σ′⟩/N)\mathbb E\{H_N(\sigma)H_N(\sigma')\} = N\xi(\langle\sigma,\sigma'\rangle/N)E{HN​(σ)HN​(σ′)}=Nξ(⟨σ,σ′⟩/N). Its ground-state energy max⁡σHN(σ)/N\max_\sigma H_N(\sigma)/Nmaxσ​HN​(σ)/N converges to the value of a variational problem, the zero-temperature Parisi formula (Auffinger–Chen 2017), in which a functional P\mathsf PP is minimized over non-decreasing order parameters γ\gammaγ. El Alaoui, Montanari and Sellke (arXiv:2001.00904v1) ask how close a polynomial-time algorithm can get to this maximum. Their answer is an extended variational principle: the best value reachable by incremental approximate message passing is inf⁡γ∈LP(γ)\inf_{\gamma\in\mathscr L}\mathsf P(\gamma)infγ∈L​P(γ), where the space L\mathscr LL drops the monotonicity constraint.

The algorithm that reaches this value is built from a minimizer γ∗\gamma_*γ∗​ of P\mathsf PP over L\mathscr LL, and it runs along the set of times where γ∗\gamma_*γ∗​ is positive. Theorem 5 of the paper (p. 30) shows that this set is dense: a minimizer has full support. This mission formalizes that theorem and the first- and second-order optimality conditions it rests on (Section 6.1, pp. 22–31).

Timeline. Parisi proposed the variational formula in 1979. Talagrand (2006) and Panchenko (2013) proved it at positive temperature. Auffinger and Chen (2017) established the zero-temperature version with Φ(1,x)=∣x∣\Phi(1,x)=|x|Φ(1,x)=∣x∣ and proved that a minimizer over the monotone space exists. Jagannath and Tobasco (2016) developed the PDE and SDE tools for the Parisi functional that Section 6.1 of the present paper adapts to non-monotone order parameters. Montanari (2019) gave the first message passing algorithm for the Sherrington–Kirkpatrick case; the present paper (2020) extended it to general mixtures and introduced L\mathscr LL.

Setting

A mixture is ξ(t)=∑k≥2ck2tk\xi(t) = \sum_{k\ge2} c_k^2 t^kξ(t)=∑k≥2​ck2​tk with ξ(1+ε)<∞\xi(1+\varepsilon) < \inftyξ(1+ε)<∞ for some ε>0\varepsilon > 0ε>0; its derivatives ξ′\xi'ξ′, ξ′′\xi''ξ′′ are the termwise differentiated power series, non-negative and non-decreasing on [0,1][0,1][0,1].

An order parameter is a function γ:[0,1)→R≥0\gamma : [0,1) \to \mathbb R_{\ge0}γ:[0,1)→R≥0​. The extended space is

L={γ:[0,1)→R≥0:∥ξ′′γ∥TV[0,t]<∞ ∀t∈[0,1), ∫01ξ′′(t)γ(t) dt<∞},\mathscr L = \Bigl\{\gamma : [0,1)\to\mathbb R_{\ge0} : \|\xi''\gamma\|_{\mathrm{TV}[0,t]}<\infty\ \forall t\in[0,1),\ \int_0^1\xi''(t)\gamma(t)\,dt<\infty\Bigr\},L={γ:[0,1)→R≥0​:∥ξ′′γ∥TV[0,t]​<∞ ∀t∈[0,1), ∫01​ξ′′(t)γ(t)dt<∞},

with the weighted distance ∥γ1−γ2∥1,ξ′′=∫01ξ′′(t)∣γ1(t)−γ2(t)∣ dt\|\gamma_1-\gamma_2\|_{1,\xi''} = \int_0^1\xi''(t)|\gamma_1(t)-\gamma_2(t)|\,dt∥γ1​−γ2​∥1,ξ′′​=∫01​ξ′′(t)∣γ1​(t)−γ2​(t)∣dt. The non-negative step functions SF+\mathsf{SF}_+SF+​ are the finite sums ∑iaiI[ti−1,ti)\sum_i a_i\mathbb I_{[t_{i-1},t_i)}∑i​ai​I[ti−1​,ti​)​ with 0=t0<⋯<tm=10=t_0<\dots<t_m=10=t0​<⋯<tm​=1 and ai≥0a_i\ge0ai​≥0.

For a terminal condition f0f_0f0​ (convex, continuous, even, non-negative, differentiable off 000 with 0≤f0′≤10\le f_0'\le10≤f0′​≤1 on (0,∞)(0,\infty)(0,∞)) and γ∈SF+\gamma\in\mathsf{SF}_+γ∈SF+​, the Parisi PDE

∂tΦ+12ξ′′(t)(∂x2Φ+γ(t)(∂xΦ)2)=0,Φ(1,x)=f0(x),\partial_t\Phi + \tfrac12\xi''(t)\bigl(\partial_x^2\Phi + \gamma(t)(\partial_x\Phi)^2\bigr) = 0,\qquad \Phi(1,x) = f_0(x),∂t​Φ+21​ξ′′(t)(∂x2​Φ+γ(t)(∂x​Φ)2)=0,Φ(1,x)=f0​(x),

has the explicit Cole–Hopf solution Φγ\Phi^\gammaΦγ: on [ti−1,ti)[t_{i-1},t_i)[ti−1​,ti​), Φ(t,x)=γi−1log⁡Eexp⁡{γiΦ(ti,x+ξ′(ti)−ξ′(t) G)}\Phi(t,x) = \gamma_i^{-1}\log\mathbb E\exp\{\gamma_i\Phi(t_i, x+\sqrt{\xi'(t_i)-\xi'(t)}\,G)\}Φ(t,x)=γi−1​logEexp{γi​Φ(ti​,x+ξ′(ti​)−ξ′(t)​G)} with G∼N(0,1)G\sim\mathsf N(0,1)G∼N(0,1). For γ∈L\gamma\in\mathscr Lγ∈L, Φγ\Phi^\gammaΦγ is the limit of Φγn\Phi^{\gamma_n}Φγn​ along step functions γn→γ\gamma_n\to\gammaγn​→γ in the weighted distance. The Parisi functional is

P(γ)=Φγ(0,0)−12∫01t ξ′′(t)γ(t) dt.\mathsf P(\gamma) = \Phi^\gamma(0,0) - \frac12\int_0^1 t\,\xi''(t)\gamma(t)\,dt .P(γ)=Φγ(0,0)−21​∫01​tξ′′(t)γ(t)dt.

Given a Brownian motion BBB, the process XXX solves dXt=ξ′′(t)γ(t) ∂xΦγ(t,Xt) dt+ξ′′(t) dBtdX_t = \xi''(t)\gamma(t)\,\partial_x\Phi^\gamma(t,X_t)\,dt + \sqrt{\xi''(t)}\,dB_tdXt​=ξ′′(t)γ(t)∂x​Φγ(t,Xt​)dt+ξ′′(t)​dBt​, X0=0X_0 = 0X0​=0. The support of γ\gammaγ is S(γ)={t∈[0,1):γ(t)>0}S(\gamma) = \{t\in[0,1):\gamma(t)>0\}S(γ)={t∈[0,1):γ(t)>0}, and S‾(γ)\overline S(\gamma)S(γ) is its closure in [0,1)[0,1)[0,1).

Formalization targets

Goal: Theorem 5

With f0(x)=∣x∣f_0(x) = |x|f0​(x)=∣x∣, if γ∗∈L\gamma_*\in\mathscr Lγ∗​∈L satisfies P(γ∗)=inf⁡γ∈LP(γ)\mathsf P(\gamma_*) = \inf_{\gamma\in\mathscr L}\mathsf P(\gamma)P(γ∗​)=infγ∈L​P(γ), then

S‾(γ∗)=[0,1).\overline S(\gamma_*) = [0,1).S(γ∗​)=[0,1).

Milestones

The path to the goal, in attack order:

  • Proposition 6.1(b),(c): on step functions, ∂xΦ\partial_x\Phi∂x​Φ is non-decreasing with ∣∂xΦ∣≤1|\partial_x\Phi|\le1∣∂x​Φ∣≤1, and ∥Φγ1−Φγ2∥∞≤∥ξ′′(γ1−γ2)∥1\|\Phi^{\gamma_1}-\Phi^{\gamma_2}\|_\infty\le\|\xi''(\gamma_1-\gamma_2)\|_1∥Φγ1​−Φγ2​∥∞​≤∥ξ′′(γ1​−γ2​)∥1​.
  • Lemma 6.2: these properties pass to γ∈L\gamma\in\mathscr Lγ∈L.
  • Lemma 6.5: the SDE has a unique strong solution on [0,1][0,1][0,1].
  • Corollary 6.6: E{∂xΦ(t2,Xt2)2}−E{∂xΦ(t1,Xt1)2}=∫t1t2ξ′′(s) E{(∂x2Φ(s,Xs))2} ds\mathbb E\{\partial_x\Phi(t_2,X_{t_2})^2\}-\mathbb E\{\partial_x\Phi(t_1,X_{t_1})^2\}=\int_{t_1}^{t_2}\xi''(s)\,\mathbb E\{(\partial_x^2\Phi(s,X_s))^2\}\,dsE{∂x​Φ(t2​,Xt2​​)2}−E{∂x​Φ(t1​,Xt1​​)2}=∫t1​t2​​ξ′′(s)E{(∂x2​Φ(s,Xs​))2}ds.
  • Lemma 6.7: the map t↦E{∂x2Φ(t,Xt)2}t\mapsto\mathbb E\{\partial_x^2\Phi(t,X_t)^2\}t↦E{∂x2​Φ(t,Xt​)2} is continuous on [0,1)[0,1)[0,1).
  • Proposition 6.8: the first variation ddsP(γ+sδ)∣s=0+=12∫01ξ′′δ (E{∂xΦ(t,Xt)2}−t) dt\frac{d}{ds}\mathsf P(\gamma+s\delta)|_{s=0+}=\frac12\int_0^1\xi''\delta\,(\mathbb E\{\partial_x\Phi(t,X_t)^2\}-t)\,dtdsd​P(γ+sδ)∣s=0+​=21​∫01​ξ′′δ(E{∂x​Φ(t,Xt​)2}−t)dt.
  • Lemma 6.9: S(γ)S(\gamma)S(γ) is a countable disjoint union of intervals.
  • Corollary 6.10: E{∂xΦγ∗(t,Xt)2}=t\mathbb E\{\partial_x\Phi^{\gamma_*}(t,X_t)^2\}=tE{∂x​Φγ∗​(t,Xt​)2}=t on S‾(γ∗)\overline S(\gamma_*)S(γ∗​) and ≥t\ge t≥t off it.
  • Corollary 6.11: ξ′′(t) E{∂x2Φγ∗(t,Xt)2}=1\xi''(t)\,\mathbb E\{\partial_x^2\Phi^{\gamma_*}(t,X_t)^2\}=1ξ′′(t)E{∂x2​Φγ∗​(t,Xt​)2}=1 on S‾(γ∗)\overline S(\gamma_*)S(γ∗​).
  • Lemma 6.12: the law of XtX_tXt​ has a density, bounded below on compact sets, once γ\gammaγ vanishes.

Significance

The result. Full support identifies the extended variational principle as one whose minimizers are "nowhere flat". The algorithm of Theorem 3 in the paper follows γ∗\gamma_*γ∗​ through incremental steps whose size is set by γ∗\gamma_*γ∗​, and it needs no special treatment of gaps where γ∗=0\gamma_* = 0γ∗​=0. The stationarity conditions (Corollaries 6.10–6.11) also characterize minimizers over L\mathscr LL the way the Auffinger–Chen conditions characterize minimizers over the monotone space. They are the starting point for comparing inf⁡LP\inf_{\mathscr L}\mathsf PinfL​P with the Parisi value.

Formalizing it. The theorem is proved in the paper; nothing here is open mathematics. The paper's proofs rely on cited PDE regularity (Jagannath–Tobasco 2016) and on standard SDE theory, often in one line. The mission produces a machine-checked chain from the explicit Cole–Hopf formula to the support theorem. Along the way it builds the Parisi PDE solution on a non-monotone class, a first-variation formula, and stationarity conditions, none of which have a formal counterpart. No formal statement of the Parisi functional or the Parisi PDE exists on Prove2Me (index search, 2026-10-03).

Difficulty

Two steps resist a direct argument. The first is the first variation (Proposition 6.8): differentiating Φγ(0,0)\Phi^\gamma(0,0)Φγ(0,0) in γ\gammaγ requires comparing the SDE for γ\gammaγ with the SDE for the perturbed parameter and controlling their difference uniformly, which needs bounds on ∂x2Φ\partial_x^2\Phi∂x2​Φ that degenerate as t→1t\to1t→1. The second is the exclusion of gaps: on an interval where γ∗=0\gamma_*=0γ∗​=0 the PDE is a time-changed heat equation, and the contradiction comes from a strict inequality, which requires the law of XtX_tXt​ to charge every interval (Lemma 6.12). The obvious idea of perturbing γ∗\gamma_*γ∗​ upward on a gap only yields the inequality (6.14), which is consistent with a gap; the second-order identity at the gap's endpoints is what closes the argument.

Formalization scope

Conventions committed to in Lean:

  • The mixture is a coefficient sequence ccc with c0=c1=0c_0=c_1=0c0​=c1​=0; ξ,ξ′,ξ′′\xi,\xi',\xi''ξ,ξ′,ξ′′ are explicit series.
  • Order parameters are functions R→R\mathbb R\to\mathbb RR→R read only on [0,1)[0,1)[0,1). Membership in L\mathscr LL uses eVariationOn for the total variation and IntegrableOn for the integral; the latter includes the a.e.-measurability that the paper takes for granted.
  • Φγ\Phi^\gammaΦγ for step functions is the Cole–Hopf recursion (7.3). For a piece with γi=0\gamma_i = 0γi​=0 the formula's limit, the heat semigroup, is used instead of a division by zero. E\mathbb EE over GGG is integration against gaussianReal 0 1. For γ∈L\gamma\in\mathscr Lγ∈L, Φγ\Phi^\gammaΦγ is a limit along the filter of step functions converging in the weighted L1L^1L1 distance; it is never "some solution of the PDE".
  • ∂xΦ\partial_x\Phi∂x​Φ and ∂x2Φ\partial_x^2\Phi∂x2​Φ are iterated derivs in xxx. Lemma 6.2's weak-derivative claim is stated as "convex and 1-Lipschitz", its equivalent.
  • The SDE uses the published strong-solution concept EthierKurtz.SolvesBrownianSDE in dimension one, with coefficients extended by zero after time 111. The driver is assumed to be a standard Brownian motion (IsBrownianReal). Statements about XXX hold for every strong solution, which by Lemma 6.5 is unique.
  • Section 6.1's results are stated for every admissible f0f_0f0​; P\mathsf PP is parametrized by f0f_0f0​, and Theorem 5 fixes f0=∣⋅∣f_0=|\cdot|f0​=∣⋅∣.
  • Minimality is "P(γ∗)≤P(γ)\mathsf P(\gamma_*)\le\mathsf P(\gamma)P(γ∗​)≤P(γ) for all γ∈L\gamma\in\mathscr Lγ∈L", never a real infimum. S‾(γ)\overline S(\gamma)S(γ) is closure (S γ) ∩ Ico 0 1. Right-continuity of γ∗\gamma_*γ∗​, the paper's convention from p. 28, is a hypothesis.
  • Disclosed hypothesis ξ≢0\xi\not\equiv0ξ≡0 (some ck≠0c_k\neq0ck​=0) on Theorem 5, Corollaries 6.10–6.11 and Lemma 6.12. For ξ≡0\xi\equiv0ξ≡0 every γ\gammaγ minimizes P\mathsf PP and X≡0X\equiv0X≡0, so γ∗≡0\gamma_*\equiv0γ∗​≡0 has empty support and each of those statements fails. When c2=0c_2=0c2​=0 no minimizer exists (Corollary 6.11 at t=0t=0t=0), and Theorem 5 is vacuous, as in the paper.
  • Lemma 6.12's density bound is stated without choosing density versions: ε Leb(A)≤P(Xt∈A)\varepsilon\,\mathrm{Leb}(A)\le\mathbb P(X_t\in A)εLeb(A)≤P(Xt​∈A) for measurable A⊆[−M,M]A\subseteq[-M,M]A⊆[−M,M].

A trivializing formalization is excluded: Φγ\Phi^\gammaΦγ and XXX are the paper's objects, built from the data, so the goal cannot be met by choosing a convenient solution, and minimality over L\mathscr LL cannot be satisfied by a junk infimum.

Not formalized: the weak formulation (6.4) of Lemma 6.2, printed with a wrong boundary term; the stochastic-integral identity (6.7) of Lemma 6.5; the regularity Lemmas 6.3–6.4; Proposition 6.1(a). The paper's algorithmic Theorems 2–4 are out of scope, because they concern algorithms in an informal model of computation and an AMP state-evolution theory that is not part of this mission.

Useful infrastructure beyond this mission: the Cole–Hopf solution and its Lipschitz dependence on γ\gammaγ, the Parisi functional on L\mathscr LL, and the SDE (6.3). Contributions that formalize Itô's formula for these processes or the regularity of Φγ\Phi^\gammaΦγ are welcome as supporting lemmas.

Selected references

  • A. El Alaoui, A. Montanari, M. Sellke, Optimization of Mean-field Spin Glasses, arXiv:2001.00904v1, 2020. https://arxiv.org/abs/2001.00904
  • A. Auffinger, W.-K. Chen, Parisi formula for the ground state energy in the mixed p-spin model, Annals of Probability, 2017. https://arxiv.org/abs/1606.05335
  • A. Jagannath, I. Tobasco, A dynamic programming approach to the Parisi functional, Proceedings of the AMS, 2016. https://arxiv.org/abs/1502.04398
  • A. Montanari, Optimization of the Sherrington–Kirkpatrick Hamiltonian, FOCS 2019. https://arxiv.org/abs/1812.10897
  • M. Talagrand, The Parisi formula, Annals of Mathematics 163(1), 2006. https://doi.org/10.4007/annals.2006.163.221
  • D. Panchenko, The Parisi ultrametricity conjecture, Annals of Mathematics 177(1), 2013. https://doi.org/10.4007/annals.2013.177.1.8
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Optimization of Mean-field Spin Glasses II: Under No Overlap Gap, the Monotone Parisi Minimizer Also Minimizes the Extended FunctionalResearch Paper

Motivation

The mixed ppp-spin model is a random polynomial on the hypercube {−1,+1}N\{-1,+1\}^N{−1,+1}N: a centered Gaussian process HN(σ)H_N(\boldsymbol\sigma)HN​(σ) with covariance E{HN(σ)HN(σ′)}=Nξ(⟨σ,σ′⟩/N)\mathbb E\{H_N(\boldsymbol\sigma)H_N(\boldsymbol\sigma')\} = N\xi(\langle\boldsymbol\sigma,\boldsymbol\sigma'\rangle/N)E{HN​(σ)HN​(σ′)}=Nξ(⟨σ,σ′⟩/N). Its maximum OPTN=max⁡σHN(σ)/N\mathrm{OPT}_N = \max_{\boldsymbol\sigma} H_N(\boldsymbol\sigma)/NOPTN​=maxσ​HN​(σ)/N is a canonical random optimization problem; for ξ(t)=c22t2\xi(t) = c_2^2t^2ξ(t)=c22​t2 it is the ground state of the Sherrington–Kirkpatrick model. Auffinger and Chen (AC17) proved that OPTN\mathrm{OPT}_NOPTN​ converges almost surely to the infimum of the zero-temperature Parisi functional P\mathsf PP over a space U\mathscr UU of non-decreasing order parameters.

El Alaoui, Montanari and Sellke (arXiv:2001.00904v1) characterize what a class of message-passing algorithms achieves on this problem. The answer is the infimum of the same functional over a larger space L\mathscr LL of order parameters that need not be monotone. Whether these algorithms reach the true optimum is therefore the question whether inf⁡UP=inf⁡LP\inf_{\mathscr U}\mathsf P = \inf_{\mathscr L}\mathsf PinfU​P=infL​P. The paper proves this equality under the no-overlap gap assumption, that the Parisi minimizer over U\mathscr UU can be taken strictly increasing (Assumption 2, p. 8). This is believed to hold for the Sherrington–Kirkpatrick model and to fail for pure ppp-spin models with p≥3p \ge 3p≥3. This mission formalizes that equality, stated as a property of the minimizer.

Timeline. Parisi's formula (1979) was proved by Talagrand (2006) and Panchenko (2013). Auffinger and Chen (2017) gave its zero-temperature form (1.7). Jagannath and Tobasco (JT16) gave a PDE and variational treatment of the Parisi functional at positive temperature, including its convexity. Montanari (Mon19) gave a message-passing algorithm for the Sherrington–Kirkpatrick model under no overlap gap. El Alaoui, Montanari and Sellke (2020) extended it to mixed ppp-spin models and introduced the extended principle over L\mathscr LL.

Setting

A mixture is ξ(t)=∑k≥2ck2tk\xi(t) = \sum_{k\ge2} c_k^2 t^kξ(t)=∑k≥2​ck2​tk with ξ(1+ε)<∞\xi(1+\varepsilon) < \inftyξ(1+ε)<∞ for some ε>0\varepsilon > 0ε>0, with derivatives ξ′\xi'ξ′ and ξ′′\xi''ξ′′ given by the termwise series. Order parameters are functions γ:[0,1)→R≥0\gamma : [0,1) \to \mathbb R_{\ge0}γ:[0,1)→R≥0​, in one of two spaces:

U={γ non-decreasing, ∫01γ(t) dt<∞},L={∥ξ′′γ∥TV[0,t]<∞ ∀t<1, ∫01ξ′′(t)γ(t) dt<∞}.\mathscr U = \Big\{\gamma \text{ non-decreasing},\ \int_0^1\gamma(t)\,dt < \infty\Big\},\qquad \mathscr L = \Big\{\|\xi''\gamma\|_{TV[0,t]} < \infty\ \forall t<1,\ \int_0^1\xi''(t)\gamma(t)\,dt < \infty\Big\}.U={γ non-decreasing, ∫01​γ(t)dt<∞},L={∥ξ′′γ∥TV[0,t]​<∞ ∀t<1, ∫01​ξ′′(t)γ(t)dt<∞}.

Here ∥⋅∥TV[0,t]\|\cdot\|_{TV[0,t]}∥⋅∥TV[0,t]​ is total variation on [0,t][0,t][0,t], and U⊆L\mathscr U \subseteq \mathscr LU⊆L.

For a step function γ=∑iγiI[ti−1,ti)\gamma = \sum_i \gamma_i \mathbb I_{[t_{i-1},t_i)}γ=∑i​γi​I[ti−1​,ti​)​ with γi≥0\gamma_i \ge 0γi​≥0 (the space SF+\mathrm{SF}_+SF+​), the Parisi PDE

∂tΦ+12ξ′′(t)(∂x2Φ+γ(t)(∂xΦ)2)=0,Φ(1,x)=∣x∣,\partial_t\Phi + \tfrac12\xi''(t)\big(\partial_x^2\Phi + \gamma(t)(\partial_x\Phi)^2\big) = 0,\qquad \Phi(1,x) = |x|,∂t​Φ+21​ξ′′(t)(∂x2​Φ+γ(t)(∂x​Φ)2)=0,Φ(1,x)=∣x∣,

is solved explicitly by the Cole–Hopf recursion (7.3). It is a Gaussian log-moment-generating step on each piece, and a heat-semigroup step where γi=0\gamma_i = 0γi​=0. For general γ∈L\gamma \in \mathscr Lγ∈L, Φγ\Phi^\gammaΦγ is the limit of Φγn\Phi^{\gamma_n}Φγn​ along step functions γn→γ\gamma_n \to \gammaγn​→γ in the weighted norm ∫01ξ′′∣γn−γ∣\int_0^1\xi''|\gamma_n - \gamma|∫01​ξ′′∣γn​−γ∣. The Parisi functional is

P(γ)=Φγ(0,0)−12∫01t ξ′′(t)γ(t) dt.\mathsf P(\gamma) = \Phi^\gamma(0,0) - \frac12\int_0^1 t\,\xi''(t)\gamma(t)\,dt .P(γ)=Φγ(0,0)−21​∫01​tξ′′(t)γ(t)dt.

The process XXX is the strong solution of dXt=ξ′′(t)γ(t)∂xΦγ(t,Xt) dt+ξ′′(t) dBtdX_t = \xi''(t)\gamma(t)\partial_x\Phi^\gamma(t,X_t)\,dt + \sqrt{\xi''(t)}\,dB_tdXt​=ξ′′(t)γ(t)∂x​Φγ(t,Xt​)dt+ξ′′(t)​dBt​, X0=0X_0 = 0X0​=0 (Eq. (6.3)), driven by a standard Brownian motion BBB.

Formalization targets

Goal: the monotone minimizer is a minimizer over L\mathscr LL (Section 6.3, p. 34)

If γ∗∈U\gamma_* \in \mathscr Uγ∗​∈U is strictly increasing on [0,1)[0,1)[0,1) and P(γ∗)≤P(γ)\mathsf P(\gamma_*) \le \mathsf P(\gamma)P(γ∗​)≤P(γ) for every γ∈U\gamma \in \mathscr Uγ∈U, then

P(γ∗)≤P(γ)for every γ∈L.\mathsf P(\gamma_*) \le \mathsf P(\gamma)\qquad\text{for every }\gamma \in \mathscr L .P(γ∗​)≤P(γ)for every γ∈L.

Since U⊆L\mathscr U \subseteq \mathscr LU⊆L, this is the paper's main result 2 (p. 4), inf⁡UP=inf⁡LP\inf_{\mathscr U}\mathsf P = \inf_{\mathscr L}\mathsf PinfU​P=infL​P under no overlap gap.

Milestones

  1. Lemma 6.7 (p. 27): for γ∈L\gamma\in\mathscr Lγ∈L, t↦E{∂x2Φ(t,Xt)2}t\mapsto\mathbb E\{\partial_x^2\Phi(t,X_t)^2\}t↦E{∂x2​Φ(t,Xt​)2} is continuous on [0,1)[0,1)[0,1).
  2. Proposition 6.8 (p. 27): the right derivative of s↦P(γ+sδ)s\mapsto\mathsf P(\gamma+s\delta)s↦P(γ+sδ) at 000 is 12∫01ξ′′(t)δ(t)(E{∂xΦ(t,Xt)2}−t) dt\frac12\int_0^1\xi''(t)\delta(t)\big(\mathbb E\{\partial_x\Phi(t,X_t)^2\}-t\big)\,dt21​∫01​ξ′′(t)δ(t)(E{∂x​Φ(t,Xt​)2}−t)dt, for admissible directions δ\deltaδ that vanish near t=1t = 1t=1.
  3. Lemma 6.15 (p. 33): under no overlap gap, E{∂xΦγ∗(t,Xt)2}=t\mathbb E\{\partial_x\Phi^{\gamma_*}(t,X_t)^2\} = tE{∂x​Φγ∗​(t,Xt​)2}=t for every t∈[0,1)t\in[0,1)t∈[0,1).
  4. Convexity (Section 6.3, p. 34): P\mathsf PP is convex on L\mathscr LL.

Significance

The result. The goal identifies the value reached by the paper's message-passing algorithm with the ground-state energy whenever the Parisi minimizer is strictly increasing. Combined with the paper's algorithmic theorem, it yields a (1−ε)(1-\varepsilon)(1−ε)-approximation of OPTN\mathrm{OPT}_NOPTN​ in time linear in the input size, for the Sherrington–Kirkpatrick model and any other mixture with no overlap gap (Corollary 2.2). It also gives a structural fact about the variational problem: when the minimizer is strictly increasing, the monotonicity constraint in U\mathscr UU is not binding.

Formalizing it. The result is proved in the paper, but the proof leans on an external citation ([JT16, Theorem 20]) for convexity of P\mathsf PP on L\mathscr LL. It also applies the first-variation formula in a direction that does not meet that formula's stated hypotheses. A machine-checked development closes both gaps. No part of this theory (the Parisi PDE, its Cole–Hopf solution, or the extended functional) has been formalized before, to our knowledge.

Difficulty

The obvious argument is: convexity plus stationarity gives a global minimum. Both inputs are hard. Stationarity (Lemma 6.15) needs the first variation of P\mathsf PP in directions that keep γ∗+sδ\gamma_*+s\deltaγ∗​+sδ monotone. That variation is a derivative of the solution of a nonlinear PDE with respect to its coefficient, expressed through an SDE driven by that solution's own gradient. Convexity of P\mathsf PP on L\mathscr LL is not visible from the formula: Φγ(0,0)\Phi^\gamma(0,0)Φγ(0,0) is defined through a limit of nested Cole–Hopf recursions, and the paper does not prove it, citing a positive-temperature argument instead. Finally, the goal needs the first variation in the direction γ−γ∗\gamma - \gamma_*γ−γ∗​, which is generally non-zero near t=1t = 1t=1, where ξ′′γ\xi''\gammaξ′′γ may blow up. Proposition 6.8 as stated excludes such directions.

Formalization scope

  • Mixture. A coefficient sequence c : ℕ → ℝ with c0=c1=0c_0 = c_1 = 0c0​=c1​=0 and ∑kck2(1+ε)k<∞\sum_k c_k^2(1+\varepsilon)^k < \infty∑k​ck2​(1+ε)k<∞ for some ε>0\varepsilon>0ε>0. ξ′\xi'ξ′ and ξ′′\xi''ξ′′ are explicit power series.
  • Order parameters. Functions R→R\mathbb R\to\mathbb RR→R; membership in U\mathscr UU and L\mathscr LL reads only [0,1)[0,1)[0,1). Total variation is eVariationOn; finiteness of integrals is IntegrableOn (which includes measurability).
  • Cole–Hopf. Step-function data (m,t,a)(m,t,a)(m,t,a) with m≥1m\ge1m≥1. The γi=0\gamma_i = 0γi​=0 pieces use the heat semigroup, the limit of (7.3). The terminal condition is ∣x∣|x|∣x∣. Gaussian expectations are integrals against gaussianReal 0 1.
  • Φγ\Phi^\gammaΦγ on L\mathscr LL. limUnder of the Cole–Hopf values along step-function data converging to γ\gammaγ in the weighted L1L^1L1 distance. ∂x\partial_x∂x​ is deriv in xxx.
  • SDE. The published definition EthierKurtz.SolvesBrownianSDE in dimension one, with coefficients extended by 000 after time 111. Brownian motion is Mathlib's IsBrownianReal, and expectations are Bochner integrals.
  • Minimality. Always attainment, P(γ∗)≤P(γ)\mathsf P(\gamma_*)\le\mathsf P(\gamma)P(γ∗​)≤P(γ) for all γ\gammaγ in the space, never a real infimum (which Lean sets to 000 on unbounded sets).
  • Disclosed hypothesis. Lemma 6.15 assumes that some ck≠0c_k \ne 0ck​=0. For ξ≡0\xi\equiv0ξ≡0 it is false: P≡0\mathsf P\equiv0P≡0, X≡0X\equiv0X≡0, and the left side is constant in ttt. The goal does not need it.
  • Ruled out. A formalization that defines Φγ\Phi^\gammaΦγ as an arbitrary weak solution of the PDE, or via a choice from an unproved existence statement, would make P\mathsf PP unconstrained. It is not acceptable. Encoding the hypothesis on γ∗\gamma_*γ∗​ as minimality over L\mathscr LL would make the goal trivial.
  • Proof gaps in the source. Convexity of P\mathsf PP on L\mathscr LL is cited, not proved. The step from stationarity to the goal applies Proposition 6.8 outside its stated hypotheses. The statements are the paper's and are believed true.
  • Out of scope. The paper's algorithmic results (Theorems 2–4, Corollary 2.2) assert algorithms with complexity bounds in an informal computation model, and rest on a long state-evolution analysis. They are not part of this mission.

Contributions welcome: Cole–Hopf regularity (smoothness and the bound ∣∂xΦ∣≤1|\partial_x\Phi|\le1∣∂x​Φ∣≤1), the Lipschitz estimate in γ\gammaγ that makes Φγ\Phi^\gammaΦγ well defined, well-posedness of the SDE, and Itô calculus for the first variation. The Cole–Hopf layer and the SDE well-posedness are reusable for the companion missions on the full-support theorem and the stochastic-control duality of the same paper.

Selected references

  • A. El Alaoui, A. Montanari, M. Sellke, Optimization of Mean-field Spin Glasses, arXiv:2001.00904v1, 2020. https://arxiv.org/abs/2001.00904v1
  • A. Auffinger, W.-K. Chen, Parisi formula for the ground state energy in the mixed p-spin model, Ann. Probab. 45(6b), 2017. https://arxiv.org/abs/1606.05335
  • A. Jagannath, I. Tobasco, A dynamic programming approach to the Parisi functional, Proc. AMS 144(7), 2016. https://arxiv.org/abs/1502.04398
  • A. Montanari, Optimization of the Sherrington–Kirkpatrick Hamiltonian, FOCS 2019. https://arxiv.org/abs/1812.10897
  • M. Talagrand, The Parisi formula, Ann. Math. 163(1), 2006. https://doi.org/10.4007/annals.2006.163.221
  • D. Panchenko, The Parisi ultrametricity conjecture, Ann. Math. 177(1), 2013. https://arxiv.org/abs/1112.1003
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AnalysisFunctional AnalysisPartial Differential Equations·Captain: mikedeng1

Mathematical Methods in Quantum Mechanics XIV: Wave Operators and Cook's CriterionTextbook

Motivation

In a scattering experiment a particle arrives from far away, interacts with a target, and leaves again. Far from the target the forces are negligible, so long before and long after the collision the particle should move like a free particle. Scattering theory makes this precise by comparing two quantum dynamics: the free evolution e−itH0\mathrm e^{-\mathrm itH_0}e−itH0​ generated by the kinetic energy H0=−ΔH_0 = -\DeltaH0​=−Δ, and the full evolution e−itH\mathrm e^{-\mathrm itH}e−itH generated by H=H0+VH = H_0 + VH=H0​+V. The objects that compare them are the wave operators (Møller operators) Ω±\Omega_\pmΩ±​, introduced by Møller (1945) and put on a rigorous footing by Jauch (1958) and Kato. Cook (1957) gave the first practical criterion for their existence. Kuroda, Birman, Agmon, Enß and others later developed the theory up to asymptotic completeness for short-range potentials.

This mission formalizes the abstract part of Chapter 12 of Teschl's Mathematical Methods in Quantum Mechanics (AMS GSM 99, 2009): the definition and basic structure of the wave operators, Cook's criterion, and the existence of the wave operators for a square-integrable potential in three dimensions.

Setting

Let H\mathfrak HH be a complex Hilbert space. An operator AAA is a linear map on a subspace D(A)\mathfrak D(A)D(A), its domain; AAA is self-adjoint if D(A)\mathfrak D(A)D(A) is dense and A=A∗A = A^*A=A∗. A projection-valued measure PPP assigns to each Borel set Ω⊆R\Omega \subseteq \mathbb RΩ⊆R an orthogonal projection P(Ω)P(\Omega)P(Ω), with P(R)=IP(\mathbb R) = \mathbb IP(R)=I and P(⋃nΩn)ψ=∑nP(Ωn)ψP(\bigcup_n\Omega_n)\psi = \sum_n P(\Omega_n)\psiP(⋃n​Ωn​)ψ=∑n​P(Ωn​)ψ for disjoint Ωn\Omega_nΩn​. The spectral measure of ψ\psiψ is μψ(Ω)=⟨ψ,P(Ω)ψ⟩\mu_\psi(\Omega) = \langle\psi, P(\Omega)\psi\rangleμψ​(Ω)=⟨ψ,P(Ω)ψ⟩. By the spectral theorem every self-adjoint AAA equals ∫λ dP(λ)\int\lambda\,dP(\lambda)∫λdP(λ) for a unique PPP: D(A)={ψ∣∫λ2 dμψ<∞}\mathfrak D(A) = \{\psi \mid \int\lambda^2\,d\mu_\psi < \infty\}D(A)={ψ∣∫λ2dμψ​<∞} and ⟨ψ,Aψ⟩=∫λ dμψ\langle\psi, A\psi\rangle = \int\lambda\,d\mu_\psi⟨ψ,Aψ⟩=∫λdμψ​. The time evolution e−itA\mathrm e^{-\mathrm itA}e−itA is the bounded operator with ⟨ψ,e−itAψ⟩=∫e−itλ dμψ(λ)\langle\psi, \mathrm e^{-\mathrm itA}\psi\rangle = \int\mathrm e^{-\mathrm it\lambda}\,d\mu_\psi(\lambda)⟨ψ,e−itAψ⟩=∫e−itλdμψ​(λ).

For two self-adjoint operators H0H_0H0​, HHH the wave operators are

D(Ω±)={ψ∈H∣∃lim⁡t→±∞eitHe−itH0ψ},Ω±ψ=lim⁡t→±∞eitHe−itH0ψ.\mathfrak D(\Omega_\pm) = \{\psi \in \mathfrak H \mid \exists\lim_{t\to\pm\infty}\mathrm e^{\mathrm itH}\mathrm e^{-\mathrm itH_0}\psi\}, \qquad \Omega_\pm\psi = \lim_{t\to\pm\infty}\mathrm e^{\mathrm itH}\mathrm e^{-\mathrm itH_0}\psi .D(Ω±​)={ψ∈H∣∃t→±∞lim​eitHe−itH0​ψ},Ω±​ψ=t→±∞lim​eitHe−itH0​ψ.

D(Ω±)\mathfrak D(\Omega_\pm)D(Ω±​) is the set of asymptotic states and Ran⁡(Ω±)=Ω±D(Ω±)\operatorname{Ran}(\Omega_\pm) = \Omega_\pm\mathfrak D(\Omega_\pm)Ran(Ω±​)=Ω±​D(Ω±​) the set of states that have one. A closed subspace H1\mathfrak H_1H1​ with projection P1P_1P1​ reduces AAA if P1D(A)⊆D(A)P_1\mathfrak D(A) \subseteq \mathfrak D(A)P1​D(A)⊆D(A) and P1Aψ=AP1ψP_1A\psi = AP_1\psiP1​Aψ=AP1​ψ for ψ∈D(A)\psi \in \mathfrak D(A)ψ∈D(A).

On L2(Rn)L^2(\mathbb R^n)L2(Rn) the free Schrödinger operator is H0=−ΔH_0 = -\DeltaH0​=−Δ with domain the Sobolev space H2(Rn)H^2(\mathbb R^n)H2(Rn): under the Fourier transform it is multiplication by p2p^2p2 on {φ∣p2φ∈L2}\{\varphi \mid p^2\varphi \in L^2\}{φ∣p2φ∈L2}. For a real potential VVV, H=H0+VH = H_0 + VH=H0​+V has D(H)=H2(Rn)\mathfrak D(H) = H^2(\mathbb R^n)D(H)=H2(Rn) and (Hψ)(x)=(H0ψ)(x)+V(x)ψ(x)(H\psi)(x) = (H_0\psi)(x) + V(x)\psi(x)(Hψ)(x)=(H0​ψ)(x)+V(x)ψ(x).

Formalization targets

Goal: existence of the wave operators for V∈L2(R3)V \in L^2(\mathbb R^3)V∈L2(R3) (Theorem 12.4)

Let H0H_0H0​ be the free Schrödinger operator on L2(R3)L^2(\mathbb R^3)L2(R3) and H=H0+VH = H_0 + VH=H0​+V with a real V∈L2(R3)V \in L^2(\mathbb R^3)V∈L2(R3). Then

D(Ω+)=D(Ω−)=L2(R3),\mathfrak D(\Omega_+) = \mathfrak D(\Omega_-) = L^2(\mathbb R^3),D(Ω+​)=D(Ω−​)=L2(R3),

that is, lim⁡t→±∞eitHe−itH0ψ\lim_{t\to\pm\infty}\mathrm e^{\mathrm itH}\mathrm e^{-\mathrm itH_0}\psilimt→±∞​eitHe−itH0​ψ exists for every ψ\psiψ and both signs. Since the spectrum of H0H_0H0​ is purely absolutely continuous, this is exactly what Teschl calls "the wave operators exist" (12.14).

Milestones

  • Lemma 12.1. D(Ω±)\mathfrak D(\Omega_\pm)D(Ω±​) and Ran⁡(Ω±)\operatorname{Ran}(\Omega_\pm)Ran(Ω±​) are closed and Ω±:D(Ω±)→Ran⁡(Ω±)\Omega_\pm : \mathfrak D(\Omega_\pm) \to \operatorname{Ran}(\Omega_\pm)Ω±​:D(Ω±​)→Ran(Ω±​) is unitary.
  • Theorem 12.2. D(Ω±)\mathfrak D(\Omega_\pm)D(Ω±​) reduces H0H_0H0​, Ran⁡(Ω±)\operatorname{Ran}(\Omega_\pm)Ran(Ω±​) reduces HHH, and the restricted operators are unitarily equivalent: Ω±H0ψ=HΩ±ψ\Omega_\pm H_0\psi = H\Omega_\pm\psiΩ±​H0​ψ=HΩ±​ψ for ψ∈D(Ω±)∩D(H0)\psi \in \mathfrak D(\Omega_\pm) \cap \mathfrak D(H_0)ψ∈D(Ω±​)∩D(H0​).
  • Lemma 12.3 (Cook). If D(H)⊆D(H0)\mathfrak D(H) \subseteq \mathfrak D(H_0)D(H)⊆D(H0​), ψ∈D(H0)\psi \in \mathfrak D(H_0)ψ∈D(H0​) and ∫0∞∥(H−H0)exp⁡(∓itH0)ψ∥ dt<∞\int_0^\infty\|(H - H_0)\exp(\mp\mathrm itH_0)\psi\|\,dt < \infty∫0∞​∥(H−H0​)exp(∓itH0​)ψ∥dt<∞, then ψ∈D(Ω±)\psi \in \mathfrak D(\Omega_\pm)ψ∈D(Ω±​) and ∥(Ω±−I)ψ∥≤∫0∞∥(H−H0)exp⁡(∓itH0)ψ∥ dt\|(\Omega_\pm - \mathbb I)\psi\| \le \int_0^\infty\|(H - H_0)\exp(\mp\mathrm itH_0)\psi\|\,dt∥(Ω±​−I)ψ∥≤∫0∞​∥(H−H0​)exp(∓itH0​)ψ∥dt.

Significance

Existence of the wave operators is the first step of every scattering theory for Schrödinger operators: without it the scattering operator S=Ω+−1Ω−S = \Omega_+^{-1}\Omega_-S=Ω+−1​Ω−​ is not defined on a useful set of states, and the questions of completeness and asymptotic completeness (Enß's theorem, Theorem 12.12 of the same chapter) cannot be posed. Lemma 12.1 and Theorem 12.2 are the structural facts that make Ω±\Omega_\pmΩ±​ partial isometries intertwining the two Hamiltonians; they imply that HHH restricted to Ran⁡(Ω±)\operatorname{Ran}(\Omega_\pm)Ran(Ω±​) has absolutely continuous spectrum whenever H0H_0H0​ does, and that kinetic energy is conserved in scattering. Cook's criterion is the tool used in practice to prove existence for concrete potentials, including Coulomb-type and time-dependent problems.

The results are classical and proved in the literature. They are not formalized. Mathlib has neither the spectral theorem nor a functional calculus for unbounded self-adjoint operators, and no scattering theory. The platform has no statement about wave operators; its BookProof development contains Stone's theorem for its own structure of unbounded operators, which this mission does not use.

Difficulty

The limit defining Ω±\Omega_\pmΩ±​ involves two unitary groups whose generators do not commute, and neither group is explicit for the perturbed operator HHH. For Cook's criterion the product eitHe−itH0ψ\mathrm e^{\mathrm itH}\mathrm e^{-\mathrm itH_0}\psieitHe−itH0​ψ has to be differentiated in ttt, which needs control of domains: e−itH0ψ\mathrm e^{-\mathrm itH_0}\psie−itH0​ψ must stay in the domain of H−H0H - H_0H−H0​, and the derivative of a strongly continuous unitary group exists only on the domain of its generator. For the goal, the time evolution of a general ψ∈L2(R3)\psi \in L^2(\mathbb R^3)ψ∈L2(R3) has no decay rate at all, and the potential V∈L2V \in L^2V∈L2 is unbounded and has no decay assumption beyond square integrability, so the integrability condition of Cook's criterion cannot be checked for every ψ\psiψ directly. The intertwining relation (12.8) concerns unbounded operators and needs the reduction of the domains, not only an identity between bounded operators.

Formalization scope

The formalization uses Lean 4 with Mathlib. Operators are LinearPMaps H →ₗ.[ℂ] H on a complex Hilbert space; self-adjointness is Mathlib's IsSelfAdjoint. Separability is not assumed.

The spectral theorem is not part of this mission. Every statement takes projection-valued measures P0P_0P0​ and PPP as data, with the hypotheses H0=∫λ dP0(λ)H_0 = \int\lambda\,dP_0(\lambda)H0​=∫λdP0​(λ) and H=∫λ dP(λ)H = \int\lambda\,dP(\lambda)H=∫λdP(λ) (domain and quadratic form as above), which is the form the spectral theorem guarantees and which determines P0P_0P0​ and PPP. The time evolutions are e−itH0=∫e−itλ dP0\mathrm e^{-\mathrm itH_0} = \int\mathrm e^{-\mathrm it\lambda}\,dP_0e−itH0​=∫e−itλdP0​ and e−itH=∫e−itλ dP\mathrm e^{-\mathrm itH} = \int\mathrm e^{-\mathrm it\lambda}\,dPe−itH=∫e−itλdP. In the goal, the self-adjointness of H=H0+VH = H_0 + VH=H0​+V (Theorem 10.2 of the book) enters only through the existence of PPP. Nothing is assumed about Ω±\Omega_\pmΩ±​.

The sign of Ω±\Omega_\pmΩ±​ is a unit s : ℤˣ, and t→±∞t \to \pm\inftyt→±∞ is written as t→+∞t \to +\inftyt→+∞ in the variable ststst. Ω±\Omega_\pmΩ±​ is Mathlib's limUnder and is used only on D(Ω±)\mathfrak D(\Omega_\pm)D(Ω±​). A formalization that set Ω±ψ=0\Omega_\pm\psi = 0Ω±​ψ=0 where the limit fails and then proved only that Ω±\Omega_\pmΩ±​ is isometric would lose the content of the goal; here the goal asserts that the limit exists for every ψ∈L2(R3)\psi \in L^2(\mathbb R^3)ψ∈L2(R3). In Cook's lemma the finiteness of the integral is integrability on (0,∞)(0,\infty)(0,∞), the bound uses the Bochner integral, and the hypothesis that exp⁡(∓itH0)ψ\exp(\mp\mathrm itH_0)\psiexp(∓itH0​)ψ lies in D(H)\mathfrak D(H)D(H) for t≥0t \ge 0t≥0, which the integrand presupposes, is explicit.

L2(R3)L^2(\mathbb R^3)L2(R3) is Mathlib's Lp ℂ 2 on EuclideanSpace ℝ (Fin 3). The free Schrödinger operator is characterized through Mathlib's unitary L2L^2L2 Fourier transform FMf(ξ)=∫e−2πi⟨x,ξ⟩f(x) dx\mathcal F_M f(\xi) = \int\mathrm e^{-2\pi\mathrm i\langle x,\xi\rangle}f(x)\,dxFM​f(ξ)=∫e−2πi⟨x,ξ⟩f(x)dx, not the book's (2π)−n/2∫e−ipxf(x) dx(2\pi)^{-n/2}\int\mathrm e^{-\mathrm ipx}f(x)\,dx(2π)−n/2∫e−ipxf(x)dx. The constants are translated: D(H0)={ψ∣∣ξ∣2FMψ∈L2}\mathfrak D(H_0) = \{\psi \mid |\xi|^2\mathcal F_M\psi \in L^2\}D(H0​)={ψ∣∣ξ∣2FM​ψ∈L2} and FM(H0ψ)=4π2∣ξ∣2FMψ\mathcal F_M(H_0\psi) = 4\pi^2|\xi|^2\mathcal F_M\psiFM​(H0​ψ)=4π2∣ξ∣2FM​ψ. H=H0+VH = H_0 + VH=H0​+V has D(H)=D(H0)\mathfrak D(H) = \mathfrak D(H_0)D(H)=D(H0​) and Hψ=H0ψ+VψH\psi = H_0\psi + V\psiHψ=H0​ψ+Vψ almost everywhere.

A complete development needs a functional calculus for projection-valued measures (strong continuity and differentiability of e−itA\mathrm e^{-\mathrm itA}e−itA on D(A)\mathfrak D(A)D(A), Theorem 5.1), the explicit L1→L∞L^1 \to L^\inftyL1→L∞ decay of the free Schrödinger group in R3\mathbb R^3R3 ((7.31) of the book), and density of L1∩H2L^1 \cap H^2L1∩H2 in L2L^2L2. These pieces are reusable for the rest of Chapter 12 (incoming and outgoing states, short-range potentials, asymptotic completeness). Proofs of any milestone and of such supporting lemmas are welcome.

Selected references

  • G. Teschl, Mathematical Methods in Quantum Mechanics, With Applications to Schrödinger Operators, Graduate Studies in Mathematics 99, American Mathematical Society, 2009. doi:10.1090/gsm/099. Chapter 12, pp. 247–257.
  • J. M. Cook, Convergence to the Møller wave-matrix, J. Math. and Phys. 36 (1957), 82–87. doi:10.1002/sapm195736182.
  • J. M. Jauch, Theory of the scattering operator, Helv. Phys. Acta 31 (1958), 127–158.
  • M. Reed, B. Simon, Methods of Modern Mathematical Physics III: Scattering Theory, Academic Press, 1979.
  • V. Enß, Asymptotic completeness for quantum mechanical potential scattering. I. Short range potentials, Comm. Math. Phys. 61 (1978), 285–291. doi:10.1007/BF01940771.
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AnalysisFunctional Analysis·Captain: mikedeng1

Mathematical Methods in Quantum Mechanics VII: Compact, Hilbert–Schmidt and Trace Class OperatorsTextbook

Motivation

Quantum mechanics describes mixed states by density operators: positive operators ρ\rhoρ on a Hilbert space with tr⁡(ρ)=1\operatorname{tr}(\rho) = 1tr(ρ)=1. Expectation values are traces tr⁡(ρA)\operatorname{tr}(\rho A)tr(ρA), perturbation determinants and spectral shift functions are built from traces of resolvent differences, and scattering theory (the Kato–Rosenblum and Birman–Krein theorems) is phrased in terms of trace class perturbations. All of this needs a trace in infinite dimensions, and the trace ∑n⟨φn,Kφn⟩\sum_n \langle \varphi_n, K\varphi_n\rangle∑n​⟨φn​,Kφn​⟩ only makes sense on a restricted class of operators.

This mission formalizes Sections 6.2–6.3 of G. Teschl, Mathematical Methods in Quantum Mechanics, With Applications to Schrödinger Operators (AMS Graduate Studies in Mathematics 99, 2009), the standard route from compact operators through Hilbert–Schmidt operators to the trace class. The theory goes back to von Neumann and Schatten in the 1940s (R. Schatten, Norm Ideals of Completely Continuous Operators, Springer 1960). A modern account is B. Simon, Trace Ideals and Their Applications (AMS 2005).

Setting

Let H\mathfrak{H}H be a complex Hilbert space, with inner product ⟨⋅,⋅⟩\langle\cdot,\cdot\rangle⟨⋅,⋅⟩ conjugate-linear in the first argument, and let L(H)\mathfrak{L}(\mathfrak{H})L(H) be the bounded linear operators on H\mathfrak{H}H with the operator norm ∥A∥\|A\|∥A∥. An operator is of finite rank if its range is finite dimensional, and the compact operators C(H)\mathfrak{C}(\mathfrak{H})C(H) are the norm closure of the finite rank operators.

For K∈L(H)K \in \mathfrak{L}(\mathfrak{H})K∈L(H) with adjoint K∗K^*K∗, the operator K∗KK^*KK∗K is positive. The singular values sj(K)>0s_j(K) > 0sj​(K)>0 of a compact KKK are the square roots of the nonzero eigenvalues of K∗KK^*KK∗K, each repeated according to its multiplicity dim⁡Ker⁡(K∗K−μ)\dim\operatorname{Ker}(K^*K - \mu)dimKer(K∗K−μ). For p≥1p \ge 1p≥1 the Schatten ppp-norm and Schatten ppp-class are

∥K∥p=(∑jsj(K)p)1/p∈[0,∞],Jp(H)={K∈C(H)∣∥K∥p<∞}.\|K\|_p = \Big(\sum_j s_j(K)^p\Big)^{1/p} \in [0,\infty], \qquad \mathcal{J}_p(\mathfrak{H}) = \{K \in \mathfrak{C}(\mathfrak{H}) \mid \|K\|_p < \infty\}.∥K∥p​=(j∑​sj​(K)p)1/p∈[0,∞],Jp​(H)={K∈C(H)∣∥K∥p​<∞}.

A compact KKK is Hilbert–Schmidt if K∈J2(H)K \in \mathcal{J}_2(\mathfrak{H})K∈J2​(H) and trace class if K∈J1(H)K \in \mathcal{J}_1(\mathfrak{H})K∈J1​(H). For an orthonormal basis {φn}\{\varphi_n\}{φn​} of H\mathfrak{H}H the trace is

tr⁡(K)=∑n⟨φn,Kφn⟩.\operatorname{tr}(K) = \sum_n \langle \varphi_n, K\varphi_n\rangle .tr(K)=n∑​⟨φn​,Kφn​⟩.

In Lean these are compactOperators H, schattenNorm p K, schattenClass H p, IsHilbertSchmidt K, IsTraceClass K and trace K, in the namespace TeschlQM.TraceClass.

Formalization targets

Goal: the trace is well defined (Lemma 6.15)

For every trace class KKK and every orthonormal basis {φn}\{\varphi_n\}{φn​} the series (6.26) converges, and for any two orthonormal bases {φn}\{\varphi_n\}{φn​}, {ψm}\{\psi_m\}{ψm​}

∑n⟨φn,Kφn⟩=∑m⟨ψm,Kψm⟩=tr⁡(K).\sum_n \langle \varphi_n, K\varphi_n\rangle = \sum_m \langle \psi_m, K\psi_m\rangle = \operatorname{tr}(K).n∑​⟨φn​,Kφn​⟩=m∑​⟨ψm​,Kψm​⟩=tr(K).

Milestones

  1. Theorem 6.7 (canonical form): a compact KKK has the form K=∑jsj⟨ϕj,⋅⟩ϕ^jK = \sum_j s_j\langle\phi_j, \cdot\rangle\hat\phi_jK=∑j​sj​⟨ϕj​,⋅⟩ϕ^​j​ with orthonormal {ϕj}\{\phi_j\}{ϕj​}, {ϕ^j}\{\hat\phi_j\}{ϕ^​j​}, and the sj2s_j^2sj2​ are the nonzero eigenvalues of K∗KK^*KK∗K and of KK∗KK^*KK∗, counted with multiplicity.
  2. Lemma 6.10: a compact KKK is Hilbert–Schmidt iff ∑n∥Kψn∥2<∞\sum_n\|K\psi_n\|^2 < \infty∑n​∥Kψn​∥2<∞ for some orthonormal basis, and then ∑n∥Kψn∥2=∥K∥22\sum_n\|K\psi_n\|^2 = \|K\|_2^2∑n​∥Kψn​∥2=∥K∥22​ for every orthonormal basis.
  3. Corollary 6.11: the Hilbert–Schmidt operators form a ∗*∗-ideal, with ∥KA∥2,∥AK∥2≤∥A∥∥K∥2\|KA\|_2, \|AK\|_2 \le \|A\|\|K\|_2∥KA∥2​,∥AK∥2​≤∥A∥∥K∥2​.
  4. Lemma 6.12: (Jp(H),∥⋅∥p)(\mathcal{J}_p(\mathfrak{H}), \|\cdot\|_p)(Jp​(H),∥⋅∥p​) is a Banach space, and
∥K∥p=sup⁡{(∑j∣⟨ψj,Kφj⟩∣p)1/p  ∣  {ψj},{φj} orthonormal}.\|K\|_p = \sup\Big\{\Big(\sum_j|\langle\psi_j, K\varphi_j\rangle|^p\Big)^{1/p} \;\Big|\; \{\psi_j\}, \{\varphi_j\} \text{ orthonormal}\Big\}.∥K∥p​=sup{(j∑​∣⟨ψj​,Kφj​⟩∣p)1/p​{ψj​},{φj​} orthonormal}.
  1. Lemma 6.13: KKK is trace class iff K=K1K2K = K_1K_2K=K1​K2​ with K1,K2K_1, K_2K1​,K2​ Hilbert–Schmidt, and then ∥K∥1≤∥K1∥2∥K2∥2\|K\|_1 \le \|K_1\|_2\|K_2\|_2∥K∥1​≤∥K1​∥2​∥K2​∥2​.
  2. Corollary 6.14: the trace class is a ∗*∗-ideal, with ∥KA∥1,∥AK∥1≤∥A∥∥K∥1\|KA\|_1, \|AK\|_1 \le \|A\|\|K\|_1∥KA∥1​,∥AK∥1​≤∥A∥∥K∥1​.
  3. Lemma 6.16 (after the goal): the trace is linear, tr⁡(K∗)=tr⁡(K)‾\operatorname{tr}(K^*) = \overline{\operatorname{tr}(K)}tr(K∗)=tr(K)​, it is monotone for the operator order, and tr⁡(AK)=tr⁡(KA)\operatorname{tr}(AK) = \operatorname{tr}(KA)tr(AK)=tr(KA) for bounded AAA.

Significance

The result itself. Lemma 6.15 is what turns the trace into a linear functional on J1(H)\mathcal{J}_1(\mathfrak{H})J1​(H) at all. Every later use of the trace rests on it: the normalization of density matrices, the duality J1(H)∗≅L(H)\mathcal{J}_1(\mathfrak{H})^* \cong \mathfrak{L}(\mathfrak{H})J1​(H)∗≅L(H), trace formulas and spectral shift functions, and Lidskii's theorem (the trace is the sum of the eigenvalues), which Teschl mentions right after the lemma. The ideal properties (Corollaries 6.11 and 6.14) and the factorization (Lemma 6.13) are the everyday tools for proving that a concrete operator, such as f(x)g(−i∇)f(x)g(-i\nabla)f(x)g(−i∇) in Chapter 7, is trace class.

Formalizing it. Mathlib has compact operators (IsCompactOperator), Hilbert bases, singular values and the trace of linear maps on finite-dimensional spaces (LinearMap.singularValues, LinearMap.trace), but no infinite-dimensional singular values, Schatten classes, Hilbert–Schmidt or trace class operators, and no basis-independent trace. The Prove2Me corpus has finite-dimensional trace norms (matrices) and L2L^2L2 kernel operators, but no statement of this section. The results are classical and fully proved in the literature; the work is to formalize them.

Difficulty

The obvious argument for basis independence is to expand KKK in both bases and interchange the two sums. In infinite dimensions that interchange is not justified for an arbitrary bounded KKK: for the identity on an infinite-dimensional space, or for a non-trace-class compact operator, the diagonal series diverges. The trace class hypothesis must therefore enter through a factorization, and the factorization rests on the canonical form of Theorem 6.7, which in turn needs the spectral theorem for the compact self-adjoint operator K∗KK^*KK∗K, including finite multiplicity of its nonzero eigenvalues. A second difficulty is bookkeeping: the singular values are a family with multiplicities that may be finite or countably infinite, and the Schatten norm, the Hilbert–Schmidt sums over a basis and the supremum formula (6.23) all have to be matched as sums in [0,∞][0,\infty][0,∞].

Formalization scope

  • Hilbert space. {H : Type*} [NormedAddCommGroup H] [InnerProductSpace ℂ H] [CompleteSpace H]. Separability is not assumed. Orthonormal bases are Mathlib HilbertBasis ι ℂ H with arbitrary index types, so every statement covers the book's separable case.
  • Operators. Bounded operators are H →L[ℂ] H, products are compositions, adjoints are ContinuousLinearMap.adjoint, and the operator order in Lemma 6.16 is Mathlib's Loewner order (K1≤K2K_1 \le K_2K1​≤K2​ iff K2−K1K_2 - K_1K2​−K1​ is positive). Traces are compared with the partial order of C\mathbb{C}C.
  • Compactness is the book's definition, membership in the norm closure of the finite rank operators, not Mathlib's IsCompactOperator.
  • Singular values are not enumerated. ∑jsj(K)p\sum_j s_j(K)^p∑j​sj​(K)p is written as ∑μ>0dim⁡Ker⁡(K∗K−μ) μp/2\sum_{\mu > 0} \dim\operatorname{Ker}(K^*K - \mu)\,\mu^{p/2}∑μ>0​dimKer(K∗K−μ)μp/2, with the dimension in {0,1,… }∪{∞}\{0,1,\dots\}\cup\{\infty\}{0,1,…}∪{∞}. Norms and sums live in [0,∞][0,\infty][0,∞], so a divergent series is ∞\infty∞, never a junk 000. Hilbert–Schmidt and trace class are defined by ∥K∥2<∞\|K\|_2 < \infty∥K∥2​<∞ and ∥K∥1<∞\|K\|_1 < \infty∥K∥1​<∞ on compact KKK. The basis characterizations (Lemma 6.10) and the factorization (Lemma 6.13) are theorems, not definitions.
  • Trace. trace K is ∑n⟨φn,Kφn⟩\sum_n\langle\varphi_n, K\varphi_n\rangle∑n​⟨φn​,Kφn​⟩ in one fixed, chosen Hilbert basis. The goal states summability in every Hilbert basis, not merely equality of tsum values. Since the tsum of a non-summable family is 000 in Mathlib, a statement asserting only that all tsums agree would be trivially satisfiable by divergent series. That trivializing reading is ruled out.
  • Lemma 6.12 assumes 1≤p1 \le p1≤p (the book's proof uses the conjugate exponent). "Banach space" is spelled out as closure under the linear operations, the norm axioms, and completeness of ∥⋅∥p\|\cdot\|_p∥⋅∥p​-Cauchy sequences.
  • No projection-valued measure, no functional calculus and no Fourier transform is used, and nothing is taken as data.

Reusable infrastructure a complete development will produce includes the spectral theorem for compact self-adjoint operators with multiplicities, the singular value decomposition in infinite dimensions, and the Hilbert–Schmidt and trace class ideals. All of these are welcome as independent contributions, and any of them would fill gaps in Mathlib.

Selected references

  • G. Teschl, Mathematical Methods in Quantum Mechanics, With Applications to Schrödinger Operators, Graduate Studies in Mathematics 99, AMS, 2009, Sections 6.2–6.3. https://doi.org/10.1090/gsm/099
  • R. Schatten, Norm Ideals of Completely Continuous Operators, Ergebnisse der Mathematik und ihrer Grenzgebiete, Springer, 1960 (no stable link verified).
  • B. Simon, Trace Ideals and Their Applications, 2nd ed., Mathematical Surveys and Monographs 120, AMS, 2005. https://doi.org/10.1090/surv/120
  • M. Reed and B. Simon, Methods of Modern Mathematical Physics I: Functional Analysis, Academic Press, 1980, Section VI.6 (no stable link verified).
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AnalysisFunctional AnalysisPartial Differential Equations·Captain: mikedeng1

Mathematical Methods in Quantum Mechanics XIII: Atomic Schrödinger Operators and the HVZ TheoremTextbook

Motivation

An atom with NNN electrons is described, with the nucleus fixed at the origin, by a Schrödinger operator on L2(R3N)L^2(\mathbb R^{3N})L2(R3N) whose potential does not decay in all directions: moving one electron to infinity while the others stay near the nucleus leaves the remaining Coulomb attraction untouched. For this reason the standard route to the essential spectrum of a one-particle operator, showing that the potential is a relatively compact perturbation of −Δ-\Delta−Δ, fails for N≥2N \ge 2N≥2. The HVZ theorem, due to Zhislin (1960), van Winter (1964) and Hunziker (1966), gives the answer anyway: the essential spectrum of the NNN-electron atom begins exactly at the ground state energy of the ion with one electron removed. It is the basic structural result of NNN-body quantum mechanics, and the starting point for every discussion of bound states, ionization energies and the stability of atoms and molecules.

This mission follows Chapter 11 of Teschl, Mathematical Methods in Quantum Mechanics (AMS GSM 99, 2009), which proves self-adjointness by Kato's theorem and the HVZ theorem by the localization method of Ismagilov, Morgan, Simon and Sigal.

Setting

Write Rn\mathbb R^nRn for Euclidean space with Lebesgue measure. The Sobolev space H2(Rn)H^2(\mathbb R^n)H2(Rn) is the set of ψ∈L2(Rn)\psi \in L^2(\mathbb R^n)ψ∈L2(Rn) with ∣p∣2ψ^(p)∈L2(Rn)|p|^2 \hat\psi(p) \in L^2(\mathbb R^n)∣p∣2ψ^​(p)∈L2(Rn), and the free Schrödinger operator is H0ψ=−Δψ=(∣p∣2ψ^)∨H_0\psi = -\Delta\psi = (|p|^2\hat\psi)^\veeH0​ψ=−Δψ=(∣p∣2ψ^​)∨ with domain H2(Rn)H^2(\mathbb R^n)H2(Rn) (units ℏ=1\hbar = 1ℏ=1, mass 1/21/21/2). A measurable function VVV acts as the multiplication operator (Vψ)(x)=V(x)ψ(x)(V\psi)(x) = V(x)\psi(x)(Vψ)(x)=V(x)ψ(x) on its maximal domain {ψ∈L2∣Vψ∈L2}\{\psi \in L^2 \mid V\psi \in L^2\}{ψ∈L2∣Vψ∈L2}.

For an operator AAA with domain D(A)\mathfrak D(A)D(A) in a Hilbert space, the resolvent set ρ(A)\rho(A)ρ(A) is the set of z∈Cz \in \mathbb Cz∈C for which A−zA - zA−z maps D(A)\mathfrak D(A)D(A) bijectively onto the space with bounded inverse RA(z)R_A(z)RA​(z), and σ(A)=C∖ρ(A)\sigma(A) = \mathbb C \setminus \rho(A)σ(A)=C∖ρ(A) is the spectrum. The discrete spectrum σd(A)\sigma_d(A)σd​(A) consists of the eigenvalues that are isolated points of σ(A)\sigma(A)σ(A) and have finite-dimensional eigenspaces; the essential spectrum is σess(A)=σ(A)∖σd(A)\sigma_{ess}(A) = \sigma(A) \setminus \sigma_d(A)σess​(A)=σ(A)∖σd​(A). AAA is bounded from below if ⟨ψ,Aψ⟩≥γ∥ψ∥2\langle\psi, A\psi\rangle \ge \gamma\|\psi\|^2⟨ψ,Aψ⟩≥γ∥ψ∥2 on D(A)\mathfrak D(A)D(A) for some γ∈R\gamma \in \mathbb Rγ∈R. BBB is AAA bounded if D(A)⊆D(B)\mathfrak D(A) \subseteq \mathfrak D(B)D(A)⊆D(B) and ∥Bψ∥≤a∥Aψ∥+b∥ψ∥\|B\psi\| \le a\|A\psi\| + b\|\psi\|∥Bψ∥≤a∥Aψ∥+b∥ψ∥; the infimum of admissible aaa is the AAA-bound. KKK is relatively compact with respect to AAA if KRA(z)K R_A(z)KRA​(z) is compact for one z∈ρ(A)z \in \rho(A)z∈ρ(A).

For an atom with NNN electrons at x=(x1,…,xN)∈R3Nx = (x_1, \dots, x_N) \in \mathbb R^{3N}x=(x1​,…,xN​)∈R3N, xj∈R3x_j \in \mathbb R^3xj​∈R3, and constants γne,γee>0\gamma_{ne}, \gamma_{ee} > 0γne​,γee​>0, the atomic Hamiltonian is

H(N)=−∑j=1NΔj−∑j=1Nγne∣xj∣+∑1≤j<k≤Nγee∣xj−xk∣,D(H(N))=H2(R3N).H^{(N)} = -\sum_{j=1}^N \Delta_j - \sum_{j=1}^N \frac{\gamma_{ne}}{|x_j|} + \sum_{1 \le j < k \le N} \frac{\gamma_{ee}}{|x_j - x_k|}, \qquad \mathfrak D(H^{(N)}) = H^2(\mathbb R^{3N}).H(N)=−j=1∑N​Δj​−j=1∑N​∣xj​∣γne​​+1≤j<k≤N∑​∣xj​−xk​∣γee​​,D(H(N))=H2(R3N).

H(N−1)H^{(N-1)}H(N−1) denotes the same operator for N−1N - 1N−1 electrons with the same constants.

Formalization targets

Goal: the HVZ theorem (Theorem 11.2)

For N≥1N \ge 1N≥1, H(N)H^{(N)}H(N) is bounded from below, and

σess(H(N))=[λN−1,∞),λN−1=min⁡σ(H(N−1)),\sigma_{ess}(H^{(N)}) = [\lambda^{N-1}, \infty), \qquad \lambda^{N-1} = \min \sigma(H^{(N-1)}),σess​(H(N))=[λN−1,∞),λN−1=minσ(H(N−1)),

with λN−1<0\lambda^{N-1} < 0λN−1<0 for N≥2N \ge 2N≥2. The minimum is attained and, for N≥2N \ge 2N≥2, negative; both are part of the claim.

Milestones

  • Kato's theorem (Theorem 11.1). For real-valued Vk∈L∞∞(Rd)+L2(Rd)V_k \in L^\infty_\infty(\mathbb R^d) + L^2(\mathbb R^d)Vk​∈L∞∞​(Rd)+L2(Rd), d≤3d \le 3d≤3, composed with the first ddd coordinates of orthogonal transformations of RNd\mathbb R^{Nd}RNd, each Vk(y(k))V_k(y^{(k)})Vk​(y(k)) has H0H_0H0​-bound 000, and H=H0+∑kVk(y(k))H = H_0 + \sum_k V_k(y^{(k)})H=H0​+∑k​Vk​(y(k)) with D(H)=H2(RNd)\mathfrak D(H) = H^2(\mathbb R^{Nd})D(H)=H2(RNd) is self-adjoint with core C0∞(RNd)C_0^\infty(\mathbb R^{Nd})C0∞​(RNd).
  • IMS localization formula (Lemma 11.3). If φj∈C∞(Rn)\varphi_j \in C^\infty(\mathbb R^n)φj​∈C∞(Rn) satisfy ∑jφj2=1\sum_j \varphi_j^2 = 1∑j​φj2​=1, then for ψ∈H2(Rn)\psi \in H^2(\mathbb R^n)ψ∈H2(Rn)
Δψ=∑j(φjΔ(φjψ)+∣∂φj∣2ψ).\Delta\psi = \sum_{j} \big(\varphi_j\Delta(\varphi_j\psi) + |\partial\varphi_j|^2\psi\big).Δψ=j∑​(φj​Δ(φj​ψ)+∣∂φj​∣2ψ).
  • Localizing partition (Lemma 11.4). For C∈(0,1/N)C \in (0, 1/\sqrt N)C∈(0,1/N​) there are smooth φj:R3N→[0,1]\varphi_j : \mathbb R^{3N} \to [0,1]φj​:R3N→[0,1] with ∑jφj2=1\sum_j \varphi_j^2 = 1∑j​φj2​=1, supp⁡φj∩{∣x∣≥1}⊆{∣xj∣≥C∣x∣}\operatorname{supp}\varphi_j \cap \{|x| \ge 1\} \subseteq \{|x_j| \ge C|x|\}suppφj​∩{∣x∣≥1}⊆{∣xj​∣≥C∣x∣} and ∣∂φj(x)∣→0|\partial\varphi_j(x)| \to 0∣∂φj​(x)∣→0 as ∣x∣→∞|x| \to \infty∣x∣→∞.
  • A compactness criterion (Lemma 11.5). A multiplication operator VVV with H0H_0H0​-bound 000 and ∥χ{∣x∣≥R}VRH0(z)∥→0\|\chi_{\{|x| \ge R\}} V R_{H_0}(z)\| \to 0∥χ{∣x∣≥R}​VRH0​​(z)∥→0 as R→∞R \to \inftyR→∞ is relatively compact with respect to H0H_0H0​.

Significance

The result. The HVZ theorem separates the spectrum of an atom into a continuum [λN−1,∞)[\lambda^{N-1}, \infty)[λN−1,∞), fixed by the (N−1)(N-1)(N−1)-electron ion, and a discrete part below it consisting of bound states. The ionization energy of the atom is λN−λN−1\lambda^N - \lambda^{N-1}λN−λN−1. Questions such as whether a given atom or negative ion has a bound state at all, whether it has infinitely many (Zhislin's theorem for neutral atoms and positive ions), and how many electrons a nucleus can bind are all formulated relative to the threshold the HVZ theorem identifies. The same argument, with additional notation, covers molecules with fixed nuclei and general NNN-body systems.

Formalizing it. The results are classical and proved in the standard texts (Reed–Simon IV, Cycon–Froese–Kirsch–Simon, Teschl). None is formalized. Mathlib now has the unitary Fourier transform on L2L^2L2, tempered distributions and Sobolev spaces defined through the Fourier transform, but no self-adjoint Schrödinger operators, no essential spectrum and no many-body Hamiltonians. This mission asks for formal proofs of Teschl's four supporting results and of the HVZ theorem, and in doing so fixes a concrete representation of H0H_0H0​, of Coulomb-type multiplication operators and of the NNN-electron atom on which later work (bound states of atoms, scattering) can build.

Difficulty

The obvious argument for the essential spectrum of −Δ+V-\Delta + V−Δ+V, relative compactness of VVV followed by Weyl's theorem, is not available: γne/∣xj∣\gamma_{ne}/|x_j|γne​/∣xj​∣ does not vanish as ∣x∣→∞|x| \to \infty∣x∣→∞ in directions where xjx_jxj​ stays bounded, and it is not relatively compact with respect to H0H_0H0​ on L2(R3N)L^2(\mathbb R^{3N})L2(R3N). The inclusion σess(H(N))⊆[λN−1,∞)\sigma_{ess}(H^{(N)}) \subseteq [\lambda^{N-1}, \infty)σess​(H(N))⊆[λN−1,∞) therefore requires decomposing configuration space into regions in which one specific electron is far from the nucleus, controlling the error terms of that decomposition, and comparing the localized pieces with decoupled operators whose spectrum is known; this uses self-adjointness and relative bounds for operators built from the same potentials with one electron removed. The reverse inclusion requires approximate eigenfunctions built from those of H(N−1)H^{(N-1)}H(N−1) and of the free one-electron operator, and a statement that λN−1\lambda^{N-1}λN−1 is attained. Negativity of λN−1\lambda^{N-1}λN−1 needs the hydrogen-like ground state and a comparison argument across NNN.

Behind all of this sits the analytic layer: Kato's theorem requires that 1/∣x∣1/|x|1/∣x∣ in three dimensions is infinitesimally bounded with respect to −Δ-\Delta−Δ and that this survives the passage to R3N\mathbb R^{3N}R3N through an orthogonal change of variables; the IMS formula requires relating the Fourier definition of H0H_0H0​ to derivatives of products.

Formalization scope

The Hilbert space is Lp ℂ 2 volume over EuclideanSpace ℝ ι; for the atom, ι=Fin N × Fin 3\iota = \texttt{Fin N × Fin 3}ι=Fin N × Fin 3, so ∣x∣|x|∣x∣ is the Euclidean norm on R3N\mathbb R^{3N}R3N and xjx_jxj​ is electron x j. Operators are Mathlib LinearPMaps, self-adjointness is Mathlib's IsSelfAdjoint, and sums of unbounded operators are LinearPMap sums with the intersection of the domains. H0H_0H0​ (freeHamiltonian) is defined as F−1 (4π2∥ξ∥2) F\mathcal F^{-1}\,(4\pi^2\|\xi\|^2)\,\mathcal FF−1(4π2∥ξ∥2)F with Mathlib's unitary L2L^2L2 Fourier transform (kernel e−2πi⟨x,ξ⟩e^{-2\pi i\langle x,\xi\rangle}e−2πi⟨x,ξ⟩, no prefactor); this is the same operator −Δ-\Delta−Δ on the same domain H2H^2H2 as Teschl's F−1∣p∣2FF^{-1}|p|^2FF−1∣p∣2F. Multiplication operators (mulOp) have their maximal domains. H(N)H^{(N)}H(N) (atomicHamiltonian) is freeHamiltonian + mulOp V^{(N)}; the equality of its domain with H2(R3N)H^2(\mathbb R^{3N})H2(R3N) is a claim of Theorem 11.1, not an assumption. Resolvent set, spectrum, discrete and essential spectrum are defined from the bounded two-sided inverse of A−zA - zA−z, not from Mathlib's Banach-algebra spectrum. The AAA-bound takes values in [0,∞][0, \infty][0,∞]. The IMS formula is stated in the sense of distributions, tested against C0∞C_0^\inftyC0∞​ functions, since for merely smooth φj\varphi_jφj​ its right-hand side need not lie in L2L^2L2. No projection-valued measure or functional calculus is taken as data.

A trivializing formalization is ruled out: λN−1\lambda^{N-1}λN−1 is defined as the minimum of the spectrum of the independently constructed (N−1)(N-1)(N−1)-electron operator, never as the infimum of σess(H(N))\sigma_{ess}(H^{(N)})σess​(H(N)), which would make (11.9) circular; its attainment and negativity are conclusions. The goal covers N≥1N \ge 1N≥1; for N=1N = 1N=1 the ion has no electrons, λ0=0\lambda^0 = 0λ0=0 is not negative, so the negativity of λN−1\lambda^{N-1}λN−1 is claimed for N≥2N \ge 2N≥2 only.

A complete development needs the L2L^2L2 theory of the Fourier transform and H2H^2H2, Hardy- or Sobolev-type bounds for 1/∣x∣1/|x|1/∣x∣ in R3\mathbb R^3R3, the Kato–Rellich theorem, Weyl's theorem on relatively compact perturbations, a smooth partition of unity on the sphere, and the Weyl criterion for essential spectrum. The definitions of H0H_0H0​, multiplication operators, resolvent and essential spectrum are shared with other chapters of this series and are intended for reuse; contributions of general lemmas about them are welcome.

Selected references

  • G. Teschl, Mathematical Methods in Quantum Mechanics, With Applications to Schrödinger Operators, Graduate Studies in Mathematics 99, AMS, 2009, Chapter 11. https://doi.org/10.1090/gsm/099
  • G. M. Zhislin, Discussion of the spectrum of Schrödinger operators for systems of many particles, Trudy Moskovskogo Matematicheskogo Obshchestva 9 (1960), 81–120.
  • C. van Winter, Theory of finite systems of particles I. The Green function, Matematisk-Fysiske Skrifter Danske Videnskabernes Selskab 2 (1964), no. 8.
  • W. Hunziker, On the spectra of Schrödinger multiparticle Hamiltonians, Helvetica Physica Acta 39 (1966), 451–462.
  • T. Kato, Fundamental properties of Hamiltonian operators of Schrödinger type, Transactions of the AMS 70 (1951), 195–211. https://doi.org/10.1090/S0002-9947-1951-0041010-X
  • H. L. Cycon, R. G. Froese, W. Kirsch, B. Simon, Schrödinger Operators with Application to Quantum Mechanics and Global Geometry, Springer, 1987.
  • M. Reed and B. Simon, Methods of Modern Mathematical Physics IV: Analysis of Operators, Academic Press, 1978, Section XIII.5.
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Captain: Lucas

Coleman–Mandula 1967: All Possible Symmetries of the S MatrixResearch Paper

Motivation

In the mid-1960s the success of SU(6)SU(6)SU(6) as an approximate symmetry of hadrons raised the question whether the Poincaré group and an internal symmetry group could be combined into a larger relativistic symmetry group that is not simply their direct product. A series of no-go theorems for Lie groups (Coleman 1965, Weinberg 1965, Michel–Sakita 1965) relied on artificial assumptions and did not cover infinite-parameter groups. Coleman and Mandula (Phys. Rev. 159, 1251 (1967)) settled the question using information about the S matrix: any connected symmetry group of a non-trivial, Lorentz-invariant S matrix with a reasonable particle spectrum is locally the direct product of the Poincaré group and an internal symmetry group. The theorem is the standard reason why space-time and internal symmetries do not mix in relativistic quantum field theory, and its loopholes (graded Lie algebras, i.e. supersymmetry; conformal symmetry for massless theories) shaped later model building (Haag–Łopuszański–Sohnius 1975).

Setting

Momenta are four-vectors p=(p0,p1,p2,p3)p=(p^0,p^1,p^2,p^3)p=(p0,p1,p2,p3) with Minkowski product p⋅q=p0q0−p⃗⋅q⃗p\cdot q=p^0q^0-\vec p\cdot\vec qp⋅q=p0q0−p​⋅q​. The one-particle spectrum is organised by mass hyperboloids Hk={p:p⋅p=mk2, p0>0}H_k=\{p : p\cdot p=m_k^2,\ p^0>0\}Hk​={p:p⋅p=mk2​, p0>0}, mk≥0m_k\ge 0mk​≥0, indexed by a set of distinct masses. On HkH_kHk​ there are Nk<∞N_k<\inftyNk​<∞ one-particle states of each momentum, and a Lorentz transformation Λ\LambdaΛ acts on them through unitary Wigner matrices Wk(Λ,p)W_k(\Lambda,p)Wk​(Λ,p). The two-particle block of the T matrix, S=1−i(2π)4δ4(P−P′)TS=1-i(2\pi)^4\delta^4(P-P')TS=1−i(2π)4δ4(P−P′)T (Eq. (2) of the paper), is a family of matrices T(p,q→p′,q′)T(p,q\to p',q')T(p,q→p′,q′) defined for p+q=p′+q′p+q=p'+q'p+q=p′+q′, covariant under Lorentz transformations.

A symmetry generator is a Hermitian operator on momentum-space wave functions that acts on two-particle states as A⊗1+1⊗AA\otimes 1+1\otimes AA⊗1+1⊗A and commutes with SSS. A generator commuting with the translations is a multiplication operator BBB: on HkH_kHk​ it multiplies the wave function at ppp by a Hermitian matrix B(p)B(p)B(p), and on two-particle states it acts by B(p,q)=B(p)⊗1+1⊗B(q)B(p,q)=B(p)\otimes 1+1\otimes B(q)B(p,q)=B(p)⊗1+1⊗B(q) (Eq. (19)). An internal symmetry generator is one commuting with the whole Poincaré group.

The paper's hypotheses are: (1) Lorentz invariance; (2) particle finiteness — finitely many particle types below any mass; (3) weak elastic analyticity of the elastic amplitudes near the physical region, except at normal thresholds s=(ma+mb)2s=(m_a+m_b)^2s=(ma​+mb​)2; (4) occurrence of scattering — any two momentum eigenstates scatter, except at isolated energies sss; (5) a technical assumption that the generators have distribution kernels.

Formalization targets

Goal: the infinitesimal Coleman–Mandula theorem (Lemma 9)

Assume every particle is massive. Let A\mathfrak AA be a real-linear set of Hermitian generators containing the Poincaré generators PaP_aPa​ (multiplication by a⋅pa\cdot pa⋅p) and MXM_XMX​ (X∈so(3,1)X\in\mathfrak{so}(3,1)X∈so(3,1)), closed under A↦i[Pa,A]A\mapsto i[P_a,A]A↦i[Pa​,A], whose members act on the hyperboloids as differential operators of one finite order NNN (the same on every hyperboloid), and whose translation-commuting members commute with the S matrix. Then every A∈AA\in\mathfrak AA∈A has the form

A  =  MX  +  a⋅P  +  b,A \;=\; M_X \;+\; a\cdot P \;+\; b,A=MX​+a⋅P+b,

with X∈so(3,1)X\in\mathfrak{so}(3,1)X∈so(3,1), aaa a constant four-vector, and bbb an infinitesimal internal symmetry transformation. The paper states that this Lemma 9 "is just the infinitesimal form of our theorem".

Correction note (revised draft). An earlier version of this draft stated the goal without the positive-mass hypothesis and with an order bound that could depend on the hyperboloid. That version is false, and the drafter formally disproved it in Lean: take one massless scalar particle with trivial Wigner cocycle and constant non-zero TTT, and let A\mathfrak AA consist of the operators that agree on test functions with a real combination of the translation generators, the Lorentz generators and the dilation generator i(v⋅∇v+1)i(v\cdot\nabla_v+1)i(v⋅∇v​+1). All hypotheses hold, but the dilation is not of the form MX+a⋅P+bM_X+a\cdot P+bMX​+a⋅P+b. This is the known conformal loophole of the theorem for massless theories; the paper's hypothesis (2) and its proof implicitly use massive particles. The goal is now ColemanMandula.coleman_mandula_corrected, which adds hmassive : ∀ k, 0 < D.mass k and a single order bound n for each generator on all hyperboloids (the paper's single finite order NNN in the proof of Lemma 9). Update: in the drafter's local project (Lean 4.28.0, Mathlib 8f9d9cf), Lemmas 3–8 and the corrected goal have been proved without sorry, using only the standard axioms; this is the drafter's own work, not an independent check. The drafter has not shown that the uniform order bound is needed.

Milestones (Lemmas 3–8 of the paper)

  • Lemma 3. Forward elastic amplitudes stay non-zero under small rotations in the centre-of-mass frame.
  • Lemma 4. K(p,q)K(p,q)K(p,q) depends only on p+qp+qp+q.
  • Lemma 5. If B∗(p,q)=0B^*(p,q)=0B∗(p,q)=0 for one non-null pair on a hyperboloid, the traceless part B∗B^*B∗ vanishes on the whole hyperboloid.
  • Lemma 6. The traceless part B∗B^*B∗ is an infinitesimal internal symmetry transformation.
  • Lemma 7. Tr⁡B(p)\operatorname{Tr}B(p)TrB(p) is a linear (affine) function of ppp.
  • Lemma 8. B(p)=aμpμ+bB(p)=a_\mu p^\mu+bB(p)=aμ​pμ+b with bbb internal.

Significance

The result rules out any non-trivial relativistic mixing of space-time and internal symmetries for theories with a non-trivial S matrix, covering infinite-parameter groups, and it yields as a corollary that all particles in a supermultiplet have the same mass (a generalisation of O'Raifeartaigh's theorem). The paper itself makes "no claim for corresponding standards of rigor"; a machine-checked version fixes a precise model in which the argument is correct, and exposes exactly which analytic facts (analyticity, continuity of the Wigner cocycle, the structure of compact Lie algebras, the absence of non-trivial finite-dimensional unitary representations of the Lorentz group) carry the proof. To the proposer's knowledge the theorem has not been formalized in Lean before.

Difficulty

The central step is Lemma 6: the traceless parts of the translation-commuting generators restricted to a hyperboloid form a Lie algebra that embeds (via Lemma 5) into su(n)⊕su(n)\mathfrak{su}(n)\oplus\mathfrak{su}(n)su(n)⊕su(n), hence is compact reductive; the Lorentz group acts on it by automorphisms. One has to show this action is trivial — on the semisimple part because the Lorentz group has no non-trivial homomorphism into a compact group, and on the Abelian part by a separate SO(2)SO(2)SO(2) argument. None of this infrastructure (compact Lie algebras, their automorphism groups, Lorentz-group representation theory) is currently available in Mathlib in usable form. Lemmas 3–5 in turn need analyticity and connectivity arguments on the manifold of momentum-conserving configurations.

Formalization scope

The formalization works in a momentum-space model (definitions ColemanMandula_Kinematics, ColemanMandula_Scattering):

  • Four-vectors are Fin 4 → ℝ with signature (+,−,−,−)(+,-,-,-)(+,−,−,−); Lorentz transformations are 4×44\times44×4 real matrices with ΛTηΛ=η\Lambda^T\eta\Lambda=\etaΛTηΛ=η, det⁡Λ=1\det\Lambda=1detΛ=1, Λ00>0\Lambda^0{}_0>0Λ00​>0. Massless hyperboloids are allowed (the apex is excluded).
  • The spectrum is indexed by distinct masses (Shell), each with finitely many states per momentum; all particle types of one mass are grouped together. The Wigner cocycle is an arbitrary continuous cocycle, smooth in ppp.
  • Only the 2→22\to22→2 block of TTT is modelled. "Commutes with SSS" is encoded as B(p′,q′)T=TB(p,q)B(p',q')T=TB(p,q)B(p′,q′)T=TB(p,q) on momentum-conserving configurations.
  • Assumption 3 is stated as real-analyticity of the elastic amplitude in the momentum variables on a neighbourhood of the physical region minus normal thresholds; assumption 4 is stated in the form used in Lemma 3, as non-vanishing of the forward elastic amplitude ⟨v,T(p,q→p,q)v⟩\langle v,T(p,q\to p,q)v\rangle⟨v,T(p,q→p,q)v⟩ (equivalent to Eq. (3) by unitarity/the optical theorem), except on a set of isolated exceptional energies.
  • Algebraic recasting (footnote 12 of the paper). Assumption 5 and the conclusions of Lemmas 1–2 are built into the model of the generators: members of A\mathfrak AA act on each hyperboloid as finite-order differential operators in the spatial momentum with smooth matrix coefficients (in particular they do not connect different hyperboloids). Lemmas 1 and 2 are therefore not milestones of this mission; smooth rather than distributional coefficients are assumed, which also merges the paper's classes B\mathfrak BB and BS\mathfrak B_SBS​. The goal is the infinitesimal form of the theorem (Lemma 9); the group-level statement about local isomorphism of an infinite-dimensional group is not formalized.
  • "Internal symmetry" is formalized covariantly, as commutation with every Lorentz transformation, b(Λp)W(Λ,p)=W(Λ,p)b(p)b(\Lambda p)W(\Lambda,p)=W(\Lambda,p)b(p)b(Λp)W(Λ,p)=W(Λ,p)b(p), which is the paper's definition and does not depend on a choice of spin bases.

The model is non-vacuous: a single massive scalar particle with a constant non-zero T matrix satisfies all hypotheses, with A\mathfrak AA spanned by the Poincaré generators and the identity. Contributions are welcome on: continuity/analyticity arguments on two-body phase space (Lemmas 3–5), compact Lie algebra structure theory and triviality of finite-dimensional unitary representations of the Lorentz group (Lemma 6), and the functional equation for additive collision invariants (Lemma 7).

Selected references

  • S. Coleman, J. Mandula, All Possible Symmetries of the S Matrix, Phys. Rev. 159, 1251 (1967). https://doi.org/10.1103/PhysRev.159.1251
  • R. Haag, J. T. Łopuszański, M. Sohnius, All possible generators of supersymmetries of the S-matrix, Nucl. Phys. B 88, 257 (1975). https://doi.org/10.1016/0550-3213(75)90279-5
  • S. Weinberg, The Quantum Theory of Fields, Vol. III, Cambridge University Press (2000), Sec. 24.B. https://doi.org/10.1017/CBO9781139644174
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