Guide

The Hitchhiker's Guide to Theoretical Machine Learning

Where to begin

Most ML researchers can follow a proof. Far fewer know where to start when they have to write one. The hard part is usually not the algebra. It is knowing which kind of argument fits the claim you want to make.

This guide is organized around that first decision. Find the question your theorem is trying to answer, and each page tells you which tools usually answer it, what each tool costs you in assumptions, and what real proofs built from them look like.

Don't Panic.

Who it is for. Researchers who can follow a proof and want help constructing their own. You should be comfortable with multivariable calculus, linear algebra and basic probability; everything else is introduced where it is used.

Who wrote it. Mahdiyar Molahasani, an ML research scientist whose papers at NeurIPS, ICCV and AAAI pair theory with experiments. Each chapter has an interactive example and, where it fits, a lesson from my own research.

Start here

What are you trying to prove?

Pick the question closest to your claim. The tree narrows it down and shows the tools you will probably need.

Your claim
Compare the endpoints of two training setups
Same optimum?Optimality and KKT conditions
Nearby optimum?Strong convexity or influence functions
Tools you probably need

First-order and KKT conditions · strong-convexity sensitivity · implicit function theorem · implicit-bias analysis

Costs: Differentiability; curvature (or a KL property) near the solution

Explore →
All questions
  1. 01 Where does training end up? Optima · sensitivity · implicit bias
  2. 02 Does it converge, and how fast? Descent lemma · PL · SGD · saddles
  3. 03 Is objective A a valid surrogate for B? Upper bounds · calibration · consistency
  4. 04 Will it generalize, and with how much data? Concentration · complexity · stability
  5. 05 What does the representation look like? Spectra · neural collapse · identifiability
  6. 06 Can anyone do better? Minimax · Fano · hard instances
If you remember one thing

The first move for each question

  1. Comparing two endpoints? Subtract their optimality equations.
  2. Need an optimization rate? Find a quantity that decreases by a definite amount at every step.
  3. Relating two objectives? Condition on the input and compare the conditional risks.
  4. Finite-data performance? First decide between a bound that is uniform over the model class and one that is specific to your algorithm. Only then pick a concentration tool.
  5. Describing what features look like? Find the matrix or equivalence relation whose structure is the claim.
  6. Claiming nobody can do better? Write down the minimax quantifiers, then build instances that are far apart in your loss but hard to tell apart from data.
Cutting across questions

Robustness, shift, privacy and other modifiers

Some guarantees are not a seventh question. They change one of the six. A robustness theorem might ask whether a surrogate certifies the adversarial loss (Question 3) or whether a predictor generalizes over perturbations (Question 4). Tag your theorem with one primary question and as many modifiers as apply.

Modifier Usually lands in
Robustness and adversarial guarantees Question 3 (certify the robust loss), 4 (generalize over perturbations), 6 (what robustness costs)
Distribution shift Question 4 with the i.i.d. assumption replaced, or Question 5 when the claim is about what stays invariant
Privacy Question 4 (utility under privacy) and Question 6 (how privacy changes the best possible rate)
Causal claims Question 5 for identifiability, then Question 4 for estimation
Scaling laws Question 2, 4 or 6, depending on whether the quantity is optimization error, statistical risk or a fundamental limit
Before you write a theorem

Assumptions: best friends or hidden enemies?

Every theorem rests on assumptions, and they are usually what reviewers argue about. Some cost you nothing. Some are fine if you justify them. Some quietly make your result say much less than it seems to.

See it end to end

One real paper, from observation to theorem

The chapters split the work into questions and tools. The case study puts it back together: one result followed from the experiment that suggested it, through the first assumption and the objection to it, to the relaxed theorem and the second result it made possible.

Already holding a tool?

Tool index

The same map read the other way: each tool, the questions where it usually appears, and where to learn it.

Tool Questions Where to start
First-order optimality and KKT conditions 1, 2 Boyd & Vandenberghe, Ch. 4–5
Strong-convexity sensitivity 1 Boyd & Vandenberghe; derive it from strong monotonicity of the gradient
Implicit function theorem and influence functions 1 Koh & Liang, ICML 2017
Contraction mappings 1, 2 Any analysis text; useful when the update rule itself contracts
Descent lemma 2 Bubeck, Convex Optimization: Algorithms and Complexity
Polyak–Łojasiewicz inequality 2 Karimi, Nutini & Schmidt, ECML PKDD 2016
SGD recursions and variance bounds 2 Reddi et al., ICML 2016, a modern non-convex example
Hessian-Lipschitz and negative-curvature arguments 2 Jin et al., ICML 2017
Classification calibration (ψ-transform) 3 Bartlett, Jordan & McAuliffe, JASA 2006
Proper scoring and KL identities 3, 4 Bach, Learning Theory from First Principles
Jensen, ELBO and variational bounds 3 Boyd & Vandenberghe for convexity; standard variational inference
Pinsker's inequality 3, 6 Standard information theory; the usual bridge into Le Cam
Hoeffding and Bernstein concentration 4, 5, 6 Vershynin, High-Dimensional Probability
Symmetrization and Rademacher complexity 4 Shalev-Shwartz & Ben-David, Understanding Machine Learning
Algorithmic stability 4 Hardt, Recht & Singer, ICML 2016
PAC-Bayes 4 Dziugaite & Roy, UAI 2017, a deep-network certificate
Compression bounds 4 Arora, Ge, Neyshabur & Zhang, ICML 2018
Mutual-information bounds 4 Xu & Raginsky, NeurIPS 2017
SVD and Eckart–Young 5 Any numerical linear algebra text; Vershynin for the high-dimensional view
Weyl and Davis–Kahan perturbation 1, 5 Stewart & Sun, Matrix Perturbation Theory
Courant–Fischer and Rayleigh quotients 5, 6 Any linear algebra text; often the shortest route to an eigenvalue bound
Identifiability modulo a group 5 Lippe et al. (CITRIS), ICML 2022
Le Cam's two-point method and Fano's inequality 6 Wainwright, High-Dimensional Statistics
Packing and metric entropy 4, 6 Wainwright, High-Dimensional Statistics
Yao's minimax principle 6 The standard device for lower bounds against randomized algorithms
Zero-chain and resisting-oracle constructions 6 Carmon, Duchi, Hinder & Sidford
How each page is built

Reading a question page

  1. The question and the symptoms that tell you it is yours.
  2. Sub-cases: the narrower versions you will usually face, and where each one starts.
  3. The recipe: the proof skeleton most answers follow.
  4. A complete proof, step by step with commentary, followed by a tempting approach that fails and what changes when you relax an assumption.
  5. An exercise with a hint and a hidden solution.
  6. The toolkit: each tool's statement, what it gives you, what it costs and when it is the wrong tool.
  7. Worked examples from published papers, including my own where they fit.
  8. Traps reviewers look for, and resources to go deeper.

Theorem numbers are given only where they were checked against the paper; elsewhere the guide refers to a paper's main result. Several inequalities have more than one common normalization. Each page states one convention; when you import a result, keep the source paper's convention throughout your proof.

Found an error, or have a better example or a question this guide should cover? Email [email protected]. Corrections and contributions are welcome. Last updated October 5, 2026.