SchNet: A continuous-filter convolutional neural network for modeling quantum...Kazuki Fujikawa
The document summarizes a paper about modeling quantum interactions using a continuous-filter convolutional neural network called SchNet. Some key points:
1) SchNet performs convolution using distances between nodes in 3D space rather than graph connectivity, allowing it to model interactions between arbitrarily positioned nodes.
2) This is useful for cases where graphs have different configurations that impact properties, or where graph and physical distances differ.
3) The paper proposes a continuous-filter convolutional layer and interaction block to incorporate distance information into graph convolutions performed by the SchNet model.
SchNet: A continuous-filter convolutional neural network for modeling quantum...Kazuki Fujikawa
The document summarizes a paper about modeling quantum interactions using a continuous-filter convolutional neural network called SchNet. Some key points:
1) SchNet performs convolution using distances between nodes in 3D space rather than graph connectivity, allowing it to model interactions between arbitrarily positioned nodes.
2) This is useful for cases where graphs have different configurations that impact properties, or where graph and physical distances differ.
3) The paper proposes a continuous-filter convolutional layer and interaction block to incorporate distance information into graph convolutions performed by the SchNet model.
Series solutions at ordinary point and regular singular pointvaibhav tailor
The document discusses series solutions for second order linear differential equations near ordinary and regular singular points.
It defines an ordinary point as a point where the functions p(x) and q(x) in the normalized form of the differential equation are analytic. Near an ordinary point, there exist two linearly independent power series solutions of the form Σcn(x-a)n that converge within the radii of convergence of p(x) and q(x).
It also discusses finding series solutions near a regular singular point x0=0, where the limits of p(x) and q(x) as x approaches 0 exist. An initial guess of a power series solution with exponent r is made, and the
The document provides an example of using the substitution method to evaluate the indefinite integral ∫(x2 + 3)3 4x dx. It introduces the substitution u = x2 + 3, which allows the integral to be rewritten as ∫u3 2 du and then evaluated as (1/2)u4 = (1/2)(x2 + 3)4. The solution is compared to directly integrating the expanded polynomial. The document outlines the theory and notation of substitution for indefinite integrals.
1. The document provides an introduction to Fourier analysis and Fourier series. It discusses how periodic functions can be represented as the sum of infinite trigonometric terms.
2. Examples are given of arbitrary functions being approximated by Fourier series of increasing lengths. As the length of the series increases, the ability to mimic the behavior of the original function also increases.
3. The Fourier transform is introduced as a method to represent functions in terms of sine and cosine terms. It allows problems involving differential equations to be transformed into an algebraic form and then transformed back to find the solution.
Μαθηματικά Επαναληπτικό διαγώνισμα μέχρι και κυρτότητα και σημεία καμπήςBillonious
Ένα διαγώνισμα που καλύπτει ύλη από τα κεφάλαι των συναρτήσεων (ολόκληρο) και του διαφορικού λογισμού (όλο εκτός από τον ρυθμό μεταβολή και τη χάραξη γραφικής παράστασης συνάρτησης).
Καλή επιτυχία! :)
The document defines two types of nonrectangular domains for double integrals. Type 1 is bounded by continuous functions y=f(x) and y=g(x) with a < x < b. Type 2 is bounded by continuous functions x=f(y) and x=g(y) with c < y < d. It provides an example of evaluating a double integral over a Type 1 domain bounded by y=x and y=2x-x^2, finding the volume over the domain to be 120/7. It also discusses describing the domains and the order of integration depends on the type of domain.
Series solutions at ordinary point and regular singular pointvaibhav tailor
The document discusses series solutions for second order linear differential equations near ordinary and regular singular points.
It defines an ordinary point as a point where the functions p(x) and q(x) in the normalized form of the differential equation are analytic. Near an ordinary point, there exist two linearly independent power series solutions of the form Σcn(x-a)n that converge within the radii of convergence of p(x) and q(x).
It also discusses finding series solutions near a regular singular point x0=0, where the limits of p(x) and q(x) as x approaches 0 exist. An initial guess of a power series solution with exponent r is made, and the
The document provides an example of using the substitution method to evaluate the indefinite integral ∫(x2 + 3)3 4x dx. It introduces the substitution u = x2 + 3, which allows the integral to be rewritten as ∫u3 2 du and then evaluated as (1/2)u4 = (1/2)(x2 + 3)4. The solution is compared to directly integrating the expanded polynomial. The document outlines the theory and notation of substitution for indefinite integrals.
1. The document provides an introduction to Fourier analysis and Fourier series. It discusses how periodic functions can be represented as the sum of infinite trigonometric terms.
2. Examples are given of arbitrary functions being approximated by Fourier series of increasing lengths. As the length of the series increases, the ability to mimic the behavior of the original function also increases.
3. The Fourier transform is introduced as a method to represent functions in terms of sine and cosine terms. It allows problems involving differential equations to be transformed into an algebraic form and then transformed back to find the solution.
Μαθηματικά Επαναληπτικό διαγώνισμα μέχρι και κυρτότητα και σημεία καμπήςBillonious
Ένα διαγώνισμα που καλύπτει ύλη από τα κεφάλαι των συναρτήσεων (ολόκληρο) και του διαφορικού λογισμού (όλο εκτός από τον ρυθμό μεταβολή και τη χάραξη γραφικής παράστασης συνάρτησης).
Καλή επιτυχία! :)
The document defines two types of nonrectangular domains for double integrals. Type 1 is bounded by continuous functions y=f(x) and y=g(x) with a < x < b. Type 2 is bounded by continuous functions x=f(y) and x=g(y) with c < y < d. It provides an example of evaluating a double integral over a Type 1 domain bounded by y=x and y=2x-x^2, finding the volume over the domain to be 120/7. It also discusses describing the domains and the order of integration depends on the type of domain.
8. 代数幾何におけるファイバー積
k を可換環とし Algk を可換な k 代数の圏とする。
k 代数 A に対して空間 SpecA → Speck を構成する。これは
B → Homk(A, B) により関手 Algk → Sets を与える。これの貼り
合わせが一般のスキーム X である。これは相対的な議論 X → S
を扱うための枠組みを与える。
Xp −−−−→ X
SpecFp −−−−→ SpecZ
X0 −−−−→ X
Speck −−−−→ Speck[t]/t2
スキームのファイバー積に対応する操作が代数のテンソル積。
Spec(A1 ⊗B A2) ≃ SpecA1 ×SpecB SpecA2
8
9. 交点理論
加群の複体のホモトピーとその極限、余極限も同様の問題。
k ⊗k[x] k ≃ k だが k ⊗k[x] (k[x][−1] ⊕ k[x]) ≃ k[−1] ⊕ k となる。
0 −−−−→ k[x]
1→x
−−−−→ k[x] −−−−→ 0
0 −−−−→ 0 −−−−→ k −−−−→ 0
Tor1
k[x](k, k) = k であり、k ⊗L
k[x] k ≃ k[ϵ−1] = k ⊕ k[−1] と up to
homotopy で定まる。
SpecB ⊗A C −−−−→ SpecB
SpecC −−−−→ SpecA
ではなく、直接 SpecA ⊗L
B C を幾何的な対象としたい。ただし
A ⊗L
B C は up to homotopy でしか決まらないことに注意。
9
10. 変形理論
A の微分加群は Ω1
A/k = I/I1, I = ker(A ⊗k A → A) であり、X の
接空間は Homk(Speck[t]/t2, X) であった。ホモトピー極限を用い
て、X に対し、
LX −−−−→ X
∆
X
∆
−−−−→ X ⊗ X
と定義すると LX = SpecSymOX
(LX [1]) となる。
この LX は cotangent complex と呼ばれるもので、X の変形をコン
トロールする複体。
A が smooth k-algebra なら LA ≃ Ω1
A/k であり、π0(LA) = Ω1
π0A と
なる。
10
11. stack
スキーム X は集合に値を持つ層 Algk → Set を定める。例えば A
に対し可逆元全体の集合 A× を対応させるものは
Gm = Speck[x, x−1] で表現される。
このとき層 F の貼り合わせ条件は、S の被覆 U• → S に対して次
が完全であること。
F(S) F(U) F(U ×S U)
例えば G-torsor 全体を分類する空間 BG を考える。つまり関手
BG(S) = {S上のG-torsor 全体 } を考える。同型類を適切に処理す
るために、Set ではなく Grpd(全ての射が同型である圏のなす圏)
に値を持つ層を考える。このようなものを stack という。
stack F の貼り合わせ条件はコサイクル条件を考えて
F(S) F(U) F(U ×S U) F(U ×S U ×S U)
Set は Grpd に離散的なものとして埋め込める。
11
26. この節の目標
まず derived stack X 上の層の圏 QC(X) を定義する。またある種
の有限性条件を満たすものとして perfect stack X を定義する。
この下で積分変換の圏が準連接層の圏と同値になることをみる。
X → Y , X′ → Y に対して
QC(X ×Y X′
) ≃ FunY (QC(X), QC(X′
))
K → (F → (f∗(g∗
F ⊗ K)))
積分変換は X × Y 上の核関数 K(x, y) を用いて Y 上の関数 f (y)
から x 上の関数を定める。
K(x, y) → (f (y) → (x →
∫
Y
f (y)k(x, y)dy))
26
28. perfect stack
定義
1. A を derived commutative ring とする。A 加群 M が perfect と
は、ModA の smallest ∞ category で finite colimit と retract で
とじたものに属すること。
2. derived stack X に対し、Perf (X) は QC(X) の full
∞-subcategory であって、任意の affine f : U → X への制限
f ∗M が perfect module であるものからなるもの。
3. derived stack X が prefect stack とは QC(X) ∼= IndPerf (X) で
あること。
4. f : X → Y が perfect とは、任意の affine U → Y について、
X ×Y U が perfect なこと。
28
29. 有限性条件
compact と dualizable と perfect の関係。stable ∞-category C の
対象 M について
1. compact とは HomC (M, −) が coproduct と交換すること。
2. dualizabule とはある M∨ と u : 1 → M ⊗M∨, τ : M ⊗M∨ → 1
が存在して、M → M ⊗ M∨ ⊗ M → M が idM となるもの。
Vect/k における有限次元ベクトル空間。V ∨ = Hom(V , k) とす
る。1 → V ⊗ V ∨ を対角行列、V ⊗ V ∨ → 1 を trace とすると、上
の条件を満たす。
特に X が affine diagonal を持ち perfect なとき、QC(X) において
dualizable と compact と perfect は同値。
29
30. base change と projection formula
命題 (BFN, proposition 3.10)
f : X → Y を perfect とする。この時
1. f∗ : QC(X) → QC(Y ) は small colimit と交換し、projection
formula を満たす
2. 任意の derived stack の射 g : Y ′ → Y に対し、base chage
map g∗f∗ → f ′
∗g′∗ は同値
X′ g′
−−−−→ X
f ′
f
Y ′ g
−−−−→ Y
QC(X′)
g′∗
←−−−− QC(X)
f ′
∗
f∗
QC(Y ′)
g∗
←−−−− QC(Y )
30
41. 参考文献
• D. Ben-Zvi, J. Francis and D. Nadler, Integral transforms and
Drinfeld centers in derived algebraic geometry.
• D. Ben-Zvi and D. Nadler, Loop Spaces and Connections.
• D. Ben-Zvi and D. Nadler, The character theory of a complex
group.
• D. Ben-Zvi and D. Nadler, Loop Spaces and Langlands
Parameters.
• D. Ben-Zvi and D. Nadler, Loop Spaces and Representations.
• B. To¨en, Higher and Derived Stacks: a global overview.
• B. To¨en and G. Vezzosi, A note on Chern character, loop
spaces and derived algebraic geometry.
• D. Gaitsgory and N. Rozenblyum, A study in derived algebraic
geometry
• J. Lurier, Higher Algebra.
41