Andrej Risteski

Yuchen Li, Alexandre Kirchmeyer, Aashay Mehta et al.

Autoregressive language models are the currently dominant paradigm for text generation, but they have some fundamental limitations that cannot be remedied by scale-for example inherently sequential and unidirectional generation. While alternate classes of models have been explored, we have limited mathematical understanding of their fundamental power and limitations. In this paper we focus on Generative Masked Language Models (GMLMs), a non-autoregressive paradigm in which we train a model to fit conditional probabilities of the data distribution via masking, which are subsequently used as inputs to a Markov Chain to draw samples from the model, These models empirically strike a promising speed-quality trade-off as each step can be typically parallelized by decoding the entire sequence in parallel. We develop a mathematical framework for analyzing and improving such models which sheds light on questions of sample complexity and inference speed and quality. Empirically, we adapt the T5 model for iteratively-refined parallel decoding, achieving 2-3x speedup in machine translation with minimal sacrifice in quality compared with autoregressive models. We run careful ablation experiments to give recommendations on key design choices, and make fine-grained observations on the common error modes in connection with our theory. Our mathematical analyses and empirical observations characterize both potentials and limitations of this approach, and can be applied to future works on improving understanding and performance of GMLMs. Our codes are released at https://github.com/google-research/google-research/tree/master/padir

Tanya Marwah, Ashwini Pokle, J. Zico Kolter et al.

Data-driven machine learning approaches are being increasingly used to solve partial differential equations (PDEs). They have shown particularly striking successes when training an operator, which takes as input a PDE in some family, and outputs its solution. However, the architectural design space, especially given structural knowledge of the PDE family of interest, is still poorly understood. We seek to remedy this gap by studying the benefits of weight-tied neural network architectures for steady-state PDEs. To achieve this, we first demonstrate that the solution of most steady-state PDEs can be expressed as a fixed point of a non-linear operator. Motivated by this observation, we propose FNO-DEQ, a deep equilibrium variant of the FNO architecture that directly solves for the solution of a steady-state PDE as the infinite-depth fixed point of an implicit operator layer using a black-box root solver and differentiates analytically through this fixed point resulting in $\mathcal{O}(1)$ training memory. Our experiments indicate that FNO-DEQ-based architectures outperform FNO-based baselines with $4\times$ the number of parameters in predicting the solution to steady-state PDEs such as Darcy Flow and steady-state incompressible Navier-Stokes. Finally, we show FNO-DEQ is more robust when trained with datasets with more noisy observations than the FNO-based baselines, demonstrating the benefits of using appropriate inductive biases in architectural design for different neural network based PDE solvers. Further, we show a universal approximation result that demonstrates that FNO-DEQ can approximate the solution to any steady-state PDE that can be written as a fixed point equation.

Runtian Zhai, Bingbin Liu, Andrej Risteski et al.

Data augmentation is critical to the empirical success of modern self-supervised representation learning, such as contrastive learning and masked language modeling. However, a theoretical understanding of the exact role of augmentation remains limited. Recent work has built the connection between self-supervised learning and the approximation of the top eigenspace of a graph Laplacian operator, suggesting that learning a linear probe atop such representation can be connected to RKHS regression. Building on this insight, this work delves into a statistical analysis of augmentation-based pretraining. Starting from the isometry property, a geometric characterization of the target function given by the augmentation, we disentangle the effects of the model and the augmentation, and prove two generalization bounds that are free of model complexity. Our first bound works for an arbitrary encoder, where the prediction error is decomposed as the sum of an estimation error incurred by fitting a linear probe with RKHS regression, and an approximation error entailed by RKHS approximation. Our second bound specifically addresses the case where the encoder is near-optimal, that is it approximates the top-d eigenspace of the RKHS induced by the augmentation. A key ingredient in our analysis is the augmentation complexity, which we use to quantitatively compare different augmentations and analyze their impact on downstream performance.

Tanya Marwah, Zachary C. Lipton, Jianfeng Lu et al.

A burgeoning line of research leverages deep neural networks to approximate the solutions to high dimensional PDEs, opening lines of theoretical inquiry focused on explaining how it is that these models appear to evade the curse of dimensionality. However, most prior theoretical analyses have been limited to linear PDEs. In this work, we take a step towards studying the representational power of neural networks for approximating solutions to nonlinear PDEs. We focus on a class of PDEs known as \emph{nonlinear elliptic variational PDEs}, whose solutions minimize an \emph{Euler-Lagrange} energy functional $\mathcal{E}(u) = \int_ΩL(x, u(x), \nabla u(x)) - f(x) u(x)dx$. We show that if composing a function with Barron norm $b$ with partial derivatives of $L$ produces a function of Barron norm at most $B_L b^p$, the solution to the PDE can be $ε$-approximated in the $L^2$ sense by a function with Barron norm $O\left(\left(dB_L\right)^{\max\{p \log(1/ ε), p^{\log(1/ε)}\}}\right)$. By a classical result due to Barron [1993], this correspondingly bounds the size of a 2-layer neural network needed to approximate the solution. Treating $p, ε, B_L$ as constants, this quantity is polynomial in dimension, thus showing neural networks can evade the curse of dimensionality. Our proof technique involves neurally simulating (preconditioned) gradient in an appropriate Hilbert space, which converges exponentially fast to the solution of the PDE, and such that we can bound the increase of the Barron norm at each iterate. Our results subsume and substantially generalize analogous prior results for linear elliptic PDEs over a unit hypercube.

Yuchen Li, Yuanzhi Li, Andrej Risteski

While the successes of transformers across many domains are indisputable, accurate understanding of the learning mechanics is still largely lacking. Their capabilities have been probed on benchmarks which include a variety of structured and reasoning tasks -- but mathematical understanding is lagging substantially behind. Recent lines of work have begun studying representational aspects of this question: that is, the size/depth/complexity of attention-based networks to perform certain tasks. However, there is no guarantee the learning dynamics will converge to the constructions proposed. In our paper, we provide fine-grained mechanistic understanding of how transformers learn "semantic structure", understood as capturing co-occurrence structure of words. Precisely, we show, through a combination of mathematical analysis and experiments on Wikipedia data and synthetic data modeled by Latent Dirichlet Allocation (LDA), that the embedding layer and the self-attention layer encode the topical structure. In the former case, this manifests as higher average inner product of embeddings between same-topic words. In the latter, it manifests as higher average pairwise attention between same-topic words. The mathematical results involve several assumptions to make the analysis tractable, which we verify on data, and might be of independent interest as well.

Frederic Koehler, Alexander Heckett, Andrej Risteski

Deep generative models parametrized up to a normalizing constant (e.g. energy-based models) are difficult to train by maximizing the likelihood of the data because the likelihood and/or gradients thereof cannot be explicitly or efficiently written down. Score matching is a training method, whereby instead of fitting the likelihood $\log p(x)$ for the training data, we instead fit the score function $\nabla_x \log p(x)$ -- obviating the need to evaluate the partition function. Though this estimator is known to be consistent, its unclear whether (and when) its statistical efficiency is comparable to that of maximum likelihood -- which is known to be (asymptotically) optimal. We initiate this line of inquiry in this paper, and show a tight connection between statistical efficiency of score matching and the isoperimetric properties of the distribution being estimated -- i.e. the Poincaré, log-Sobolev and isoperimetric constant -- quantities which govern the mixing time of Markov processes like Langevin dynamics. Roughly, we show that the score matching estimator is statistically comparable to the maximum likelihood when the distribution has a small isoperimetric constant. Conversely, if the distribution has a large isoperimetric constant -- even for simple families of distributions like exponential families with rich enough sufficient statistics -- score matching will be substantially less efficient than maximum likelihood. We suitably formalize these results both in the finite sample regime, and in the asymptotic regime. Finally, we identify a direct parallel in the discrete setting, where we connect the statistical properties of pseudolikelihood estimation with approximate tensorization of entropy and the Glauber dynamics.

Chirag Pabbaraju, Dhruv Rohatgi, Anish Sevekari et al.

Score matching is an alternative to maximum likelihood (ML) for estimating a probability distribution parametrized up to a constant of proportionality. By fitting the ''score'' of the distribution, it sidesteps the need to compute this constant of proportionality (which is often intractable). While score matching and variants thereof are popular in practice, precise theoretical understanding of the benefits and tradeoffs with maximum likelihood -- both computational and statistical -- are not well understood. In this work, we give the first example of a natural exponential family of distributions such that the score matching loss is computationally efficient to optimize, and has a comparable statistical efficiency to ML, while the ML loss is intractable to optimize using a gradient-based method. The family consists of exponentials of polynomials of fixed degree, and our result can be viewed as a continuous analogue of recent developments in the discrete setting. Precisely, we show: (1) Designing a zeroth-order or first-order oracle for optimizing the maximum likelihood loss is NP-hard. (2) Maximum likelihood has a statistical efficiency polynomial in the ambient dimension and the radius of the parameters of the family. (3) Minimizing the score matching loss is both computationally and statistically efficient, with complexity polynomial in the ambient dimension.

Ashwini Pokle, Jinjin Tian, Yuchen Li et al.

A lot of recent advances in unsupervised feature learning are based on designing features which are invariant under semantic data augmentations. A common way to do this is contrastive learning, which uses positive and negative samples. Some recent works however have shown promising results for non-contrastive learning, which does not require negative samples. However, the non-contrastive losses have obvious "collapsed" minima, in which the encoders output a constant feature embedding, independent of the input. A folk conjecture is that so long as these collapsed solutions are avoided, the produced feature representations should be good. In our paper, we cast doubt on this story: we show through theoretical results and controlled experiments that even on simple data models, non-contrastive losses have a preponderance of non-collapsed bad minima. Moreover, we show that the training process does not avoid these minima.

Ricardo Buitrago Ruiz, Tanya Marwah, Albert Gu et al.

Data-driven techniques have emerged as a promising alternative to traditional numerical methods for solving PDEs. For time-dependent PDEs, many approaches are Markovian -- the evolution of the trained system only depends on the current state, and not the past states. In this work, we investigate the benefits of using memory for modeling time-dependent PDEs: that is, when past states are explicitly used to predict the future. Motivated by the Mori-Zwanzig theory of model reduction, we theoretically exhibit examples of simple (even linear) PDEs, in which a solution that uses memory is arbitrarily better than a Markovian solution. Additionally, we introduce Memory Neural Operator (MemNO), a neural operator architecture that combines recent state space models (specifically, S4) and Fourier Neural Operators (FNOs) to effectively model memory. We empirically demonstrate that when the PDEs are supplied in low resolution or contain observation noise at train and test time, MemNO significantly outperforms the baselines without memory -- with up to 6x reduction in test error. Furthermore, we show that this benefit is particularly pronounced when the PDE solutions have significant high-frequency Fourier modes (e.g., low-viscosity fluid dynamics) and we construct a challenging benchmark dataset consisting of such PDEs.

Omar Chehab, Aapo Hyvarinen, Andrej Risteski

Recent research has developed several Monte Carlo methods for estimating the normalization constant (partition function) based on the idea of annealing. This means sampling successively from a path of distributions that interpolate between a tractable "proposal" distribution and the unnormalized "target" distribution. Prominent estimators in this family include annealed importance sampling and annealed noise-contrastive estimation (NCE). Such methods hinge on a number of design choices: which estimator to use, which path of distributions to use and whether to use a path at all; so far, there is no definitive theory on which choices are efficient. Here, we evaluate each design choice by the asymptotic estimation error it produces. First, we show that using NCE is more efficient than the importance sampling estimator, but in the limit of infinitesimal path steps, the difference vanishes. Second, we find that using the geometric path brings down the estimation error from an exponential to a polynomial function of the parameter distance between the target and proposal distributions. Third, we find that the arithmetic path, while rarely used, can offer optimality properties over the universally-used geometric path. In fact, in a particular limit, the optimal path is arithmetic. Based on this theory, we finally propose a two-step estimator to approximate the optimal path in an efficient way.

Elan Rosenfeld, Andrej Risteski

We identify a new phenomenon in neural network optimization which arises from the interaction of depth and a particular heavy-tailed structure in natural data. Our result offers intuitive explanations for several previously reported observations about network training dynamics. In particular, it implies a conceptually new cause for progressive sharpening and the edge of stability; we also highlight connections to other concepts in optimization and generalization including grokking, simplicity bias, and Sharpness-Aware Minimization. Experimentally, we demonstrate the significant influence of paired groups of outliers in the training data with strong opposing signals: consistent, large magnitude features which dominate the network output throughout training and provide gradients which point in opposite directions. Due to these outliers, early optimization enters a narrow valley which carefully balances the opposing groups; subsequent sharpening causes their loss to rise rapidly, oscillating between high on one group and then the other, until the overall loss spikes. We describe how to identify these groups, explore what sets them apart, and carefully study their effect on the network's optimization and behavior. We complement these experiments with a mechanistic explanation on a toy example of opposing signals and a theoretical analysis of a two-layer linear network on a simple model. Our finding enables new qualitative predictions of training behavior which we confirm experimentally. It also provides a new lens through which to study and improve modern training practices for stochastic optimization, which we highlight via a case study of Adam versus SGD.

Binghui Peng, Andrej Risteski

Continual learning is an emerging paradigm in machine learning, wherein a model is exposed in an online fashion to data from multiple different distributions (i.e. environments), and is expected to adapt to the distribution change. Precisely, the goal is to perform well in the new environment, while simultaneously retaining the performance on the previous environments (i.e. avoid "catastrophic forgetting") -- without increasing the size of the model. While this setup has enjoyed a lot of attention in the applied community, there hasn't be theoretical work that even formalizes the desired guarantees. In this paper, we propose a framework for continual learning through the framework of feature extraction -- namely, one in which features, as well as a classifier, are being trained with each environment. When the features are linear, we design an efficient gradient-based algorithm $\mathsf{DPGD}$, that is guaranteed to perform well on the current environment, as well as avoid catastrophic forgetting. In the general case, when the features are non-linear, we show such an algorithm cannot exist, whether efficient or not.

Holden Lee, Chirag Pabbaraju, Anish Sevekari et al.

Noise Contrastive Estimation (NCE) is a popular approach for learning probability density functions parameterized up to a constant of proportionality. The main idea is to design a classification problem for distinguishing training data from samples from an easy-to-sample noise distribution $q$, in a manner that avoids having to calculate a partition function. It is well-known that the choice of $q$ can severely impact the computational and statistical efficiency of NCE. In practice, a common choice for $q$ is a Gaussian which matches the mean and covariance of the data. In this paper, we show that such a choice can result in an exponentially bad (in the ambient dimension) conditioning of the Hessian of the loss, even for very simple data distributions. As a consequence, both the statistical and algorithmic complexity for such a choice of $q$ will be problematic in practice, suggesting that more complex noise distributions are essential to the success of NCE.

Yilong Qin, Andrej Risteski

Score matching is an approach to learning probability distributions parametrized up to a constant of proportionality (e.g. Energy-Based Models). The idea is to fit the score of the distribution, rather than the likelihood, thus avoiding the need to evaluate the constant of proportionality. While there's a clear algorithmic benefit, the statistical "cost'' can be steep: recent work by Koehler et al. 2022 showed that for distributions that have poor isoperimetric properties (a large Poincaré or log-Sobolev constant), score matching is substantially statistically less efficient than maximum likelihood. However, many natural realistic distributions, e.g. multimodal distributions as simple as a mixture of two Gaussians in one dimension -- have a poor Poincaré constant. In this paper, we show a close connection between the mixing time of a broad class of Markov processes with generator $\mathcal{L}$ and an appropriately chosen generalized score matching loss that tries to fit $\frac{\mathcal{O} p}{p}$. This allows us to adapt techniques to speed up Markov chains to construct better score-matching losses. In particular, ``preconditioning'' the diffusion can be translated to an appropriate ``preconditioning'' of the score loss. Lifting the chain by adding a temperature like in simulated tempering can be shown to result in a Gaussian-convolution annealed score matching loss, similar to Song and Ermon, 2019. Moreover, we show that if the distribution being learned is a finite mixture of Gaussians in $d$ dimensions with a shared covariance, the sample complexity of annealed score matching is polynomial in the ambient dimension, the diameter of the means, and the smallest and largest eigenvalues of the covariance -- obviating the Poincaré constant-based lower bounds of the basic score matching loss shown in Koehler et al. 2022.

Andrej Risteski, Thuy-Duong Vuong

We study \emph{learning-to-sample} -- a basic algorithmic task underlying generative modeling -- for Ising models, a standard testbed for algorithmic ideas in both theoretical computer science and machine learning. Given i.i.d. samples of an unknown target distribution, the goal of learning-to-sample is to learn a computationally efficient generation procedure that produces new samples following approximately the same distribution. We construct a family of Ising models of constantly bounded-width which lie just beyond the spectral threshold $λ_{\max}(J)-λ_{\min}(J)=1$, and show that learning-to-sample for this family is computationally hard under standard cryptographic assumptions, even when the learner is given both polynomially many i.i.d. samples from the model and explicit access to its parameters. Combined with results of [AJKPV24,KLV25] showing tractability of learning-to-sample below the spectral threshold, this establishes a sharp computational phase transition at the spectral threshold. Moreover, combined with prior results on parameter learning for bounded-width Ising models [KM17,WSD19,VML20], this shows that learning-to-sample can be more difficult than parameter learning. Finally, we show that any efficient learner for these hard instances exhibits a natural memorization-hallucination dichotomy: the learner must either output configurations that, after a simple transformation, match the (transformed) training data or place substantial mass on configurations of negligible probability under the target distribution.

Jingchu Gai, Guanning Zeng, Christina Baek et al.

Long chains of thought (CoT) from current language models frequently contain logical gaps and unjustified leaps, limiting the gains from additional test-time compute. Improving reasoning quality directly would require process reward models, but the step-level annotations needed to train them are expensive and scarce. We find such a signal in how the model's confidence evolves during reasoning: premature confidence, the tendency to commit to an answer early and use the remaining tokens to rationalize it, strongly predicts flawed reasoning across tasks and model scales. We exploit this in progressive confidence shaping, a reinforcement learning objective that trains models to update their confidence as they reason rather than commit early -- rewarding gradual confidence growth and penalizing early commitment, with no external labels or reward models. The method improves accuracy and reasoning quality from 1.5B to 8B parameters across arithmetic (Countdown), math (DAPO, AIME), and science (ScienceQA): on Countdown, accuracy improves 3.2x (+42.0pp) and flawed reasoning drops 48pp; on AIME, Pass@64 improves 6.6pp. Consistent with this mechanism, the method also improves faithfulness: on a safety benchmark, our models more transparently surface misleading content in their reasoning traces rather than concealing it. Controlled experiments reveal that the problem and its remedy scale together: premature confidence grows with model size and task difficulty, and so do the gains from addressing it.

Ankur Moitra, Andrej Risteski, Dhruv Rohatgi

Inference-time algorithms are an emerging paradigm in which pre-trained models are used as subroutines to solve downstream tasks. Such algorithms have been proposed for tasks ranging from inverse problems and guided image generation to reasoning. However, the methods currently deployed in practice are heuristics with a variety of failure modes -- and we have very little understanding of when these heuristics can be efficiently improved. In this paper, we consider the task of sampling from a reward-tilted diffusion model -- that is, sampling from $p^{\star}(x) \propto p(x) \exp(r(x))$ -- given a reward function $r$ and pre-trained diffusion oracle for $p$. We provide a fine-grained analysis of the computational tractability of this task for quadratic rewards $r(x) = x^\top A x + b^\top x$. We show that linear-reward tilts are always efficiently sampleable -- a simple result that seems to have gone unnoticed in the literature. We use this as a building block, along with a conceptually new ingredient -- the Hubbard-Stratonovich transform -- to provide an efficient algorithm for sampling from low-rank positive-definite quadratic tilts, i.e. $r(x) = x^\top A x$ where $A$ is positive-definite and of rank $O(1)$. For negative-definite tilts, i.e. $r(x) = - x^\top A x$ where $A$ is positive-definite, we prove that the problem is intractable even if $A$ is of rank 1 (albeit with exponentially-large entries).

Shanda Li, Tanya Marwah, Junhong Shen et al.

Partial differential equations (PDEs) are fundamental to modeling physical systems, yet solving them remains a complex challenge. Traditional numerical solvers rely on expert knowledge to implement and are computationally expensive, while neural-network-based solvers require large training datasets and often lack interpretability. In this work, we frame PDE solving as a code generation task and introduce CodePDE, the first inference framework for generating PDE solvers using large language models (LLMs). Leveraging advanced inference-time algorithms and scaling strategies, CodePDE unlocks critical capacities of LLM for PDE solving: reasoning, debugging, selfrefinement, and test-time scaling -- all without task-specific tuning. CodePDE achieves superhuman performance across a range of representative PDE problems. We also present a systematic empirical analysis of LLM generated solvers, analyzing their accuracy, efficiency, and numerical scheme choices. Our findings highlight the promise and the current limitations of LLMs in PDE solving, offering a new perspective on solver design and opportunities for future model development. Our code is available at https://github.com/LithiumDA/CodePDE.

Ankur Moitra, Andrej Risteski, Dhruv Rohatgi

Inference-time reward alignment asks how to turn a pre-trained diffusion model with base law $p$ into a sampler that favors a reward $r$ while remaining close to $p$. Since there is no canonical distributional distance for this closeness constraint, different choices lead to different "reward-aligned" laws and, just as importantly, different algorithmic problems. We develop a primitive-based approach to reward alignment: rather than assuming arbitrary reward-aligned laws can be sampled, we ask which simple algorithmic primitives suffice to implement alignment for non-trivial reward classes. If closeness is measured in KL distance, the target law is $q(x) \propto p(x) \exp(λ^{-1}r(x))$. For this setting, we show that linear exponential tilts of the form $q(x)\propto p(x)\exp(\langle θ, x \rangle)$ -- which according to recent work [MRR26] can be efficiently sampled from -- are a sufficient primitive for aligning to a very broad class of convex low-dimensional rewards. If closeness is measured in Wasserstein distance, the corresponding primitive is a proximal transport oracle: given $x$, solve $\mbox{argmax}_y \{r(y)- λc(x,y)\}$. This oracle can be efficiently implemented for concave or low-dimensional Lipschitz rewards $r(x)=f(Ax)$. Together, these results illustrate that the choice of distribution distance for alignment affects the computational primitive and the tractable reward class.

Edoardo Botta, Yuchen Li, Aashay Mehta et al.

Recently, a plethora of works have proposed inference-time algorithms (e.g. best-of-n), which incorporate verifiers to assist the generation process. Their quality-efficiency trade-offs have been empirically benchmarked on a variety of constrained generation tasks, but the algorithmic design landscape is still largely poorly understood. In this paper, we develop a mathematical framework for reasoning about constrained generation using a pre-trained language model generator oracle and a process verifier--which can decide whether a prefix can be extended to a string which satisfies the constraints of choice. We show that even in very simple settings, access to a verifier can render an intractable problem (information-theoretically or computationally) to a tractable one. In fact, we show even simple algorithms, like tokenwise rejection sampling, can enjoy significant benefits from access to a verifier. Empirically, we show that a natural modification of tokenwise rejection sampling, in which the sampler is allowed to "backtrack" (i.e., erase the final few generated tokens) has robust and substantive benefits over natural baselines (e.g. (blockwise) rejection sampling, nucleus sampling)--both in terms of computational efficiency, accuracy and diversity.

Dhruv Rohatgi, Abhishek Shetty, Donya Saless et al.

Test-time algorithms that combine the generative power of language models with process verifiers that assess the quality of partial generations offer a promising lever for eliciting new reasoning capabilities, but the algorithmic design space and computational scaling properties of such approaches are still opaque, and their benefits are far from apparent when one accounts for the cost of learning a high-quality verifier. Our starting point is the observation that seemingly benign errors in a learned verifier can lead to catastrophic failures for standard decoding techniques due to error amplification during the course of generation. We then ask: can this be improved with more sophisticated decoding strategies? We introduce a new process-guided test-time sampling algorithm, VGB, which uses theoretically grounded backtracking to achieve provably better robustness to verifier errors. VGB interprets autoregressive generation as a random walk on a tree of partial generations, with transition probabilities guided by the process verifier and base model; crucially, backtracking occurs probabilistically. This process generalizes the seminal Sinclair-Jerrum random walk (Sinclair & Jerrum, 1989) from the literature on approximate counting and sampling in theoretical computer science, and a conceptual contribution of our work is to highlight parallels with this literature. Empirically, we demonstrate on both synthetic and real language modeling tasks that VGB outperforms baselines on a variety of metrics.

Sarah Ball, Niki Hasrati, Alexander Robey et al.

Discrete optimization-based jailbreaking attacks on large language models aim to generate short, nonsensical suffixes that, when appended onto input prompts, elicit disallowed content. Notably, these suffixes are often transferable -- succeeding on prompts and models for which they were never optimized. And yet, despite the fact that transferability is surprising and empirically well-established, the field lacks a rigorous analysis of when and why transfer occurs. To fill this gap, we identify three statistical properties that strongly correlate with transfer success across numerous experimental settings: (1) how much a prompt without a suffix activates a model's internal refusal direction, (2) how strongly a suffix induces a push away from this direction, and (3) how large these shifts are in directions orthogonal to refusal. On the other hand, we find that prompt semantic similarity only weakly correlates with transfer success. These findings lead to a more fine-grained understanding of transferability, which we use in interventional experiments to showcase how our statistical analysis can translate into practical improvements in attack success.

Dhruv Rohatgi, Tanya Marwah, Zachary Chase Lipton et al.

Graph neural networks (GNNs) are the dominant approach to solving machine learning problems defined over graphs. Despite much theoretical and empirical work in recent years, our understanding of finer-grained aspects of architectural design for GNNs remains impoverished. In this paper, we consider the benefits of architectures that maintain and update edge embeddings. On the theoretical front, under a suitable computational abstraction for a layer in the model, as well as memory constraints on the embeddings, we show that there are natural tasks on graphical models for which architectures leveraging edge embeddings can be much shallower. Our techniques are inspired by results on time-space tradeoffs in theoretical computer science. Empirically, we show architectures that maintain edge embeddings almost always improve on their node-based counterparts -- frequently significantly so in topologies that have ``hub'' nodes.

Bingbin Liu, Daniel Hsu, Pradeep Ravikumar et al.

The vast majority of work in self-supervised learning, both theoretical and empirical (though mostly the latter), have largely focused on recovering good features for downstream tasks, with the definition of "good" often being intricately tied to the downstream task itself. This lens is undoubtedly very interesting, but suffers from the problem that there isn't a "canonical" set of downstream tasks to focus on -- in practice, this problem is usually resolved by competing on the benchmark dataset du jour. In this paper, we present an alternative lens: one of parameter identifiability. More precisely, we consider data coming from a parametric probabilistic model, and train a self-supervised learning predictor with a suitably chosen parametric form. Then, we ask whether we can read off the ground truth parameters of the probabilistic model from the optimal predictor. We focus on the widely used self-supervised learning method of predicting masked tokens, which is popular for both natural languages and visual data. While incarnations of this approach have already been successfully used for simpler probabilistic models (e.g. learning fully-observed undirected graphical models), we focus instead on latent-variable models capturing sequential structures -- namely Hidden Markov Models with both discrete and conditionally Gaussian observations. We show that there is a rich landscape of possibilities, out of which some prediction tasks yield identifiability, while others do not. Our results, borne of a theoretical grounding of self-supervised learning, could thus potentially beneficially inform practice. Moreover, we uncover close connections with uniqueness of tensor rank decompositions -- a widely used tool in studying identifiability through the lens of the method of moments.

Frederic Koehler, Holden Lee, Andrej Risteski

We consider Ising models on the hypercube with a general interaction matrix $J$, and give a polynomial time sampling algorithm when all but $O(1)$ eigenvalues of $J$ lie in an interval of length one, a situation which occurs in many models of interest. This was previously known for the Glauber dynamics when *all* eigenvalues fit in an interval of length one; however, a single outlier can force the Glauber dynamics to mix torpidly. Our general result implies the first polynomial time sampling algorithms for low-rank Ising models such as Hopfield networks with a fixed number of patterns and Bayesian clustering models with low-dimensional contexts, and greatly improves the polynomial time sampling regime for the antiferromagnetic/ferromagnetic Ising model with inconsistent field on expander graphs. It also improves on previous approximation algorithm results based on the naive mean-field approximation in variational methods and statistical physics. Our approach is based on a new fusion of ideas from the MCMC and variational inference worlds. As part of our algorithm, we define a new nonconvex variational problem which allows us to sample from an exponential reweighting of a distribution by a negative definite quadratic form, and show how to make this procedure provably efficient using stochastic gradient descent. On top of this, we construct a new simulated tempering chain (on an extended state space arising from the Hubbard-Stratonovich transform) which overcomes the obstacle posed by large positive eigenvalues, and combine it with the SGD-based sampler to solve the full problem.

Elan Rosenfeld, Pradeep Ravikumar, Andrej Risteski

A common explanation for the failure of deep networks to generalize out-of-distribution is that they fail to recover the "correct" features. We challenge this notion with a simple experiment which suggests that ERM already learns sufficient features and that the current bottleneck is not feature learning, but robust regression. Our findings also imply that given a small amount of data from the target distribution, retraining only the last linear layer will give excellent performance. We therefore argue that devising simpler methods for learning predictors on existing features is a promising direction for future research. Towards this end, we introduce Domain-Adjusted Regression (DARE), a convex objective for learning a linear predictor that is provably robust under a new model of distribution shift. Rather than learning one function, DARE performs a domain-specific adjustment to unify the domains in a canonical latent space and learns to predict in this space. Under a natural model, we prove that the DARE solution is the minimax-optimal predictor for a constrained set of test distributions. Further, we provide the first finite-environment convergence guarantee to the minimax risk, improving over existing analyses which only yield minimax predictors after an environment threshold. Evaluated on finetuned features, we find that DARE compares favorably to prior methods, consistently achieving equal or better performance.

Frederic Koehler, Viraj Mehta, Chenghui Zhou et al.

Variational Autoencoders are one of the most commonly used generative models, particularly for image data. A prominent difficulty in training VAEs is data that is supported on a lower-dimensional manifold. Recent work by Dai and Wipf (2020) proposes a two-stage training algorithm for VAEs, based on a conjecture that in standard VAE training the generator will converge to a solution with 0 variance which is correctly supported on the ground truth manifold. They gave partial support for that conjecture by showing that some optima of the VAE loss do satisfy this property, but did not analyze the training dynamics. In this paper, we show that for linear encoders/decoders, the conjecture is true-that is the VAE training does recover a generator with support equal to the ground truth manifold-and does so due to an implicit bias of gradient descent rather than merely the VAE loss itself. In the nonlinear case, we show that VAE training frequently learns a higher-dimensional manifold which is a superset of the ground truth manifold.

Bingbin Liu, Elan Rosenfeld, Pradeep Ravikumar et al.

Noise-contrastive estimation (NCE) is a statistically consistent method for learning unnormalized probabilistic models. It has been empirically observed that the choice of the noise distribution is crucial for NCE's performance. However, such observations have never been made formal or quantitative. In fact, it is not even clear whether the difficulties arising from a poorly chosen noise distribution are statistical or algorithmic in nature. In this work, we formally pinpoint reasons for NCE's poor performance when an inappropriate noise distribution is used. Namely, we prove these challenges arise due to an ill-behaved (more precisely, flat) loss landscape. To address this, we introduce a variant of NCE called "eNCE" which uses an exponential loss and for which normalized gradient descent addresses the landscape issues provably when the target and noise distributions are in a given exponential family.

Divyansh Pareek, Andrej Risteski

Training and using modern neural-network based latent-variable generative models (like Variational Autoencoders) often require simultaneously training a generative direction along with an inferential(encoding) direction, which approximates the posterior distribution over the latent variables. Thus, the question arises: how complex does the inferential model need to be, in order to be able to accurately model the posterior distribution of a given generative model? In this paper, we identify an important property of the generative map impacting the required size of the encoder. We show that if the generative map is "strongly invertible" (in a sense we suitably formalize), the inferential model need not be much more complex. Conversely, we prove that there exist non-invertible generative maps, for which the encoding direction needs to be exponentially larger (under standard assumptions in computational complexity). Importantly, we do not require the generative model to be layerwise invertible, which a lot of the related literature assumes and isn't satisfied by many architectures used in practice (e.g. convolution and pooling based networks). Thus, we provide theoretical support for the empirical wisdom that learning deep generative models is harder when data lies on a low-dimensional manifold.

Holden Lee, Chirag Pabbaraju, Anish Sevekari et al.

Normalizing flows are a widely used class of latent-variable generative models with a tractable likelihood. Affine-coupling (Dinh et al, 2014-16) models are a particularly common type of normalizing flows, for which the Jacobian of the latent-to-observable-variable transformation is triangular, allowing the likelihood to be computed in linear time. Despite the widespread usage of affine couplings, the special structure of the architecture makes understanding their representational power challenging. The question of universal approximation was only recently resolved by three parallel papers (Huang et al.,2020;Zhang et al.,2020;Koehler et al.,2020) -- who showed reasonably regular distributions can be approximated arbitrarily well using affine couplings -- albeit with networks with a nearly-singular Jacobian. As ill-conditioned Jacobians are an obstacle for likelihood-based training, the fundamental question remains: which distributions can be approximated using well-conditioned affine coupling flows? In this paper, we show that any log-concave distribution can be approximated using well-conditioned affine-coupling flows. In terms of proof techniques, we uncover and leverage deep connections between affine coupling architectures, underdamped Langevin dynamics (a stochastic differential equation often used to sample from Gibbs measures) and Hénon maps (a structured dynamical system that appears in the study of symplectic diffeomorphisms). Our results also inform the practice of training affine couplings: we approximate a padded version of the input distribution with iid Gaussians -- a strategy which Koehler et al.(2020) empirically observed to result in better-conditioned flows, but had hitherto no theoretical grounding. Our proof can thus be seen as providing theoretical evidence for the benefits of Gaussian padding when training normalizing flows.

Yining Chen, Elan Rosenfeld, Mark Sellke et al.

Domain generalization aims at performing well on unseen test environments with data from a limited number of training environments. Despite a proliferation of proposal algorithms for this task, assessing their performance both theoretically and empirically is still very challenging. Distributional matching algorithms such as (Conditional) Domain Adversarial Networks [Ganin et al., 2016, Long et al., 2018] are popular and enjoy empirical success, but they lack formal guarantees. Other approaches such as Invariant Risk Minimization (IRM) require a prohibitively large number of training environments -- linear in the dimension of the spurious feature space $d_s$ -- even on simple data models like the one proposed by [Rosenfeld et al., 2021]. Under a variant of this model, we show that both ERM and IRM cannot generalize with $o(d_s)$ environments. We then present an iterative feature matching algorithm that is guaranteed with high probability to yield a predictor that generalizes after seeing only $O(\log d_s)$ environments. Our results provide the first theoretical justification for a family of distribution-matching algorithms widely used in practice under a concrete nontrivial data model.

Yuchen Li, Andrej Risteski

Incorporating syntax into neural approaches in NLP has a multitude of practical and scientific benefits. For instance, a language model that is syntax-aware is likely to be able to produce better samples; even a discriminative model like BERT with a syntax module could be used for core NLP tasks like unsupervised syntactic parsing. Rapid progress in recent years was arguably spurred on by the empirical success of the Parsing-Reading-Predict architecture of (Shen et al., 2018a), later simplified by the Order Neuron LSTM of (Shen et al., 2019). Most notably, this is the first time neural approaches were able to successfully perform unsupervised syntactic parsing (evaluated by various metrics like F-1 score). However, even heuristic (much less fully mathematical) understanding of why and when these architectures work is lagging severely behind. In this work, we answer representational questions raised by the architectures in (Shen et al., 2018a, 2019), as well as some transition-based syntax-aware language models (Dyer et al., 2016): what kind of syntactic structure can current neural approaches to syntax represent? Concretely, we ground this question in the sandbox of probabilistic context-free-grammars (PCFGs), and identify a key aspect of the representational power of these approaches: the amount and directionality of context that the predictor has access to when forced to make parsing decision. We show that with limited context (either bounded, or unidirectional), there are PCFGs, for which these approaches cannot represent the max-likelihood parse; conversely, if the context is unlimited, they can represent the max-likelihood parse of any PCFG.

Bingbin Liu, Pradeep Ravikumar, Andrej Risteski

Contrastive learning is a family of self-supervised methods where a model is trained to solve a classification task constructed from unlabeled data. It has recently emerged as one of the leading learning paradigms in the absence of labels across many different domains (e.g. brain imaging, text, images). However, theoretical understanding of many aspects of training, both statistical and algorithmic, remain fairly elusive. In this work, we study the setting of time series -- more precisely, when we get data from a strong-mixing continuous-time stochastic process. We show that a properly constructed contrastive learning task can be used to estimate the transition kernel for small-to-mid-range intervals in the diffusion case. Moreover, we give sample complexity bounds for solving this task and quantitatively characterize what the value of the contrastive loss implies for distributional closeness of the learned kernel. As a byproduct, we illuminate the appropriate settings for the contrastive distribution, as well as other hyperparameters in this setup.

Tanya Marwah, Zachary C. Lipton, Andrej Risteski

Recent experiments have shown that deep networks can approximate solutions to high-dimensional PDEs, seemingly escaping the curse of dimensionality. However, questions regarding the theoretical basis for such approximations, including the required network size, remain open. In this paper, we investigate the representational power of neural networks for approximating solutions to linear elliptic PDEs with Dirichlet boundary conditions. We prove that when a PDE's coefficients are representable by small neural networks, the parameters required to approximate its solution scale polynomially with the input dimension $d$ and proportionally to the parameter counts of the coefficient networks. To this we end, we develop a proof technique that simulates gradient descent (in an appropriate Hilbert space) by growing a neural network architecture whose iterates each participate as sub-networks in their (slightly larger) successors, and converge to the solution of the PDE. We bound the size of the solution, showing a polynomial dependence on $d$ and no dependence on the volume of the domain.

Elan Rosenfeld, Pradeep Ravikumar, Andrej Risteski

A popular assumption for out-of-distribution generalization is that the training data comprises sub-datasets, each drawn from a distinct distribution; the goal is then to "interpolate" these distributions and "extrapolate" beyond them -- this objective is broadly known as domain generalization. A common belief is that ERM can interpolate but not extrapolate and that the latter is considerably more difficult, but these claims are vague and lack formal justification. In this work, we recast generalization over sub-groups as an online game between a player minimizing risk and an adversary presenting new test distributions. Under an existing notion of inter- and extrapolation based on reweighting of sub-group likelihoods, we rigorously demonstrate that extrapolation is computationally much harder than interpolation, though their statistical complexity is not significantly different. Furthermore, we show that ERM -- or a noisy variant -- is provably minimax-optimal for both tasks. Our framework presents a new avenue for the formal analysis of domain generalization algorithms which may be of independent interest.

Elan Rosenfeld, Pradeep Ravikumar, Andrej Risteski

Invariant Causal Prediction (Peters et al., 2016) is a technique for out-of-distribution generalization which assumes that some aspects of the data distribution vary across the training set but that the underlying causal mechanisms remain constant. Recently, Arjovsky et al. (2019) proposed Invariant Risk Minimization (IRM), an objective based on this idea for learning deep, invariant features of data which are a complex function of latent variables; many alternatives have subsequently been suggested. However, formal guarantees for all of these works are severely lacking. In this paper, we present the first analysis of classification under the IRM objective--as well as these recently proposed alternatives--under a fairly natural and general model. In the linear case, we show simple conditions under which the optimal solution succeeds or, more often, fails to recover the optimal invariant predictor. We furthermore present the very first results in the non-linear regime: we demonstrate that IRM can fail catastrophically unless the test data are sufficiently similar to the training distribution--this is precisely the issue that it was intended to solve. Thus, in this setting we find that IRM and its alternatives fundamentally do not improve over standard Empirical Risk Minimization.

Frederic Koehler, Viraj Mehta, Andrej Risteski

Normalizing flows are among the most popular paradigms in generative modeling, especially for images, primarily because we can efficiently evaluate the likelihood of a data point. This is desirable both for evaluating the fit of a model, and for ease of training, as maximizing the likelihood can be done by gradient descent. However, training normalizing flows comes with difficulties as well: models which produce good samples typically need to be extremely deep -- which comes with accompanying vanishing/exploding gradient problems. A very related problem is that they are often poorly conditioned: since they are parametrized as invertible maps from $\mathbb{R}^d \to \mathbb{R}^d$, and typical training data like images intuitively is lower-dimensional, the learned maps often have Jacobians that are close to being singular. In our paper, we tackle representational aspects around depth and conditioning of normalizing flows: both for general invertible architectures, and for a particular common architecture, affine couplings. We prove that $Θ(1)$ affine coupling layers suffice to exactly represent a permutation or $1 \times 1$ convolution, as used in GLOW, showing that representationally the choice of partition is not a bottleneck for depth. We also show that shallow affine coupling networks are universal approximators in Wasserstein distance if ill-conditioning is allowed, and experimentally investigate related phenomena involving padding. Finally, we show a depth lower bound for general flow architectures with few neurons per layer and bounded Lipschitz constant.

Rong Ge, Holden Lee, Jianfeng Lu et al.

We give a algorithm for exact sampling from the Bingham distribution $p(x)\propto \exp(x^\top A x)$ on the sphere $\mathcal S^{d-1}$ with expected runtime of $\operatorname{poly}(d, λ_{\max}(A)-λ_{\min}(A))$. The algorithm is based on rejection sampling, where the proposal distribution is a polynomial approximation of the pdf, and can be sampled from by explicitly evaluating integrals of polynomials over the sphere. Our algorithm gives exact samples, assuming exact computation of an inverse function of a polynomial. This is in contrast with Markov Chain Monte Carlo algorithms, which are not known to enjoy rapid mixing on this problem, and only give approximate samples. As a direct application, we use this to sample from the posterior distribution of a rank-1 matrix inference problem in polynomial time.

Han Zhao, Junjie Hu, Andrej Risteski

The goal of universal machine translation is to learn to translate between any pair of languages, given a corpus of paired translated documents for \emph{a small subset} of all pairs of languages. Despite impressive empirical results and an increasing interest in massively multilingual models, theoretical analysis on translation errors made by such universal machine translation models is only nascent. In this paper, we formally prove certain impossibilities of this endeavour in general, as well as prove positive results in the presence of additional (but natural) structure of data. For the former, we derive a lower bound on the translation error in the many-to-many translation setting, which shows that any algorithm aiming to learn shared sentence representations among multiple language pairs has to make a large translation error on at least one of the translation tasks, if no assumption on the structure of the languages is made. For the latter, we show that if the paired documents in the corpus follow a natural \emph{encoder-decoder} generative process, we can expect a natural notion of ``generalization'': a linear number of language pairs, rather than quadratic, suffices to learn a good representation. Our theory also explains what kinds of connection graphs between pairs of languages are better suited: ones with longer paths result in worse sample complexity in terms of the total number of documents per language pair needed. We believe our theoretical insights and implications contribute to the future algorithmic design of universal machine translation.

Ankur Moitra, Andrej Risteski

In this paper, we study the problem of sampling from distributions of the form p(x) \propto e^{-βf(x)} for some function f whose values and gradients we can query. This mode of access to f is natural in the scenarios in which such problems arise, for instance sampling from posteriors in parametric Bayesian models. Classical results show that a natural random walk, Langevin diffusion, mixes rapidly when f is convex. Unfortunately, even in simple examples, the applications listed above will entail working with functions f that are nonconvex -- for which sampling from p may in general require an exponential number of queries. In this paper, we focus on an aspect of nonconvexity relevant for modern machine learning applications: existence of invariances (symmetries) in the function f, as a result of which the distribution p will have manifolds of points with equal probability. First, we give a recipe for proving mixing time bounds for Langevin diffusion as a function of the geometry of these manifolds. Second, we specialize our arguments to classic matrix factorization-like Bayesian inference problems where we get noisy measurements A(XX^T), X \in R^{d \times k} of a low-rank matrix, i.e. f(X) = \|A(XX^T) - b\|^2_2, X \in R^{d \times k}, and βthe inverse of the variance of the noise. Such functions f are invariant under orthogonal transformations, and include problems like matrix factorization, sensing, completion. Beyond sampling, Langevin dynamics is a popular toy model for studying stochastic gradient descent. Along these lines, we believe that our work is an important first step towards understanding how SGD behaves when there is a high degree of symmetry in the space of parameters the produce the same output.

Rares-Darius Buhai, Yoni Halpern, Yoon Kim et al.

One of the most surprising and exciting discoveries in supervised learning was the benefit of overparameterization (i.e. training a very large model) to improving the optimization landscape of a problem, with minimal effect on statistical performance (i.e. generalization). In contrast, unsupervised settings have been under-explored, despite the fact that it was observed that overparameterization can be helpful as early as Dasgupta & Schulman (2007). We perform an empirical study of different aspects of overparameterization in unsupervised learning of latent variable models via synthetic and semi-synthetic experiments. We discuss benefits to different metrics of success (recovering the parameters of the ground-truth model, held-out log-likelihood), sensitivity to variations of the training algorithm, and behavior as the amount of overparameterization increases. We find that across a variety of models (noisy-OR networks, sparse coding, probabilistic context-free grammars) and training algorithms (variational inference, alternating minimization, expectation-maximization), overparameterization can significantly increase the number of ground truth latent variables recovered.

Dylan J. Foster, Andrej Risteski

We study tensor completion in the agnostic setting. In the classical tensor completion problem, we receive $n$ entries of an unknown rank-$r$ tensor and wish to exactly complete the remaining entries. In agnostic tensor completion, we make no assumption on the rank of the unknown tensor, but attempt to predict unknown entries as well as the best rank-$r$ tensor. For agnostic learning of third-order tensors with the square loss, we give the first polynomial time algorithm that obtains a "fast" (i.e., $O(1/n)$-type) rate improving over the rate obtained by reduction to matrix completion. Our prediction error rate to compete with the best $d\times{}d\times{}d$ tensor of rank-$r$ is $\tilde{O}(r^{2}d^{3/2}/n)$. We also obtain an exact oracle inequality that trades off estimation and approximation error. Our algorithm is based on the degree-six sum-of-squares relaxation of the tensor nuclear norm. The key feature of our analysis is to show that a certain characterization for the subgradient of the tensor nuclear norm can be encoded in the sum-of-squares proof system. This unlocks the standard toolbox for localization of empirical processes under the square loss, and allows us to establish restricted eigenvalue-type guarantees for various tensor regression models, with tensor completion as a special case. The new analysis of the relaxation complements Barak and Moitra (2016), who gave slow rates for agnostic tensor completion, and Potechin and Steurer (2017), who gave exact recovery guarantees for the noiseless setting. Our techniques are user-friendly, and we anticipate that they will find use elsewhere.

Rong Ge, Holden Lee, Andrej Risteski

A key task in Bayesian machine learning is sampling from distributions that are only specified up to a partition function (i.e., constant of proportionality). One prevalent example of this is sampling posteriors in parametric distributions, such as latent-variable generative models. However sampling (even very approximately) can be #P-hard. Classical results going back to Bakry and Émery (1985) on sampling focus on log-concave distributions, and show a natural Markov chain called Langevin diffusion mixes in polynomial time. However, all log-concave distributions are uni-modal, while in practice it is very common for the distribution of interest to have multiple modes. In this case, Langevin diffusion suffers from torpid mixing. We address this problem by combining Langevin diffusion with simulated tempering. The result is a Markov chain that mixes more rapidly by transitioning between different temperatures of the distribution. We analyze this Markov chain for a mixture of (strongly) log-concave distributions of the same shape. In particular, our technique applies to the canonical multi-modal distribution: a mixture of gaussians (of equal variance). Our algorithm efficiently samples from these distributions given only access to the gradient of the log-pdf. For the analysis, we introduce novel techniques for proving spectral gaps based on decomposing the action of the generator of the diffusion. Previous approaches rely on decomposing the state space as a partition of sets, while our approach can be thought of as decomposing the stationary measure as a mixture of distributions (a "soft partition"). Additional materials for the paper can be found at http://holdenlee.github.io/Simulated%20tempering%20Langevin%20Monte%20Carlo.html. The proof and results have been improved and generalized from the precursor at arXiv:1710.02736.

Vishesh Jain, Frederic Koehler, Andrej Risteski

The free energy is a key quantity of interest in Ising models, but unfortunately, computing it in general is computationally intractable. Two popular (variational) approximation schemes for estimating the free energy of general Ising models (in particular, even in regimes where correlation decay does not hold) are: (i) the mean-field approximation with roots in statistical physics, which estimates the free energy from below, and (ii) hierarchies of convex relaxations with roots in theoretical computer science, which estimate the free energy from above. We show, surprisingly, that the tight regime for both methods to compute the free energy to leading order is identical. More precisely, we show that the mean-field approximation is within $O((n\|J\|_{F})^{2/3})$ of the free energy, where $\|J\|_F$ denotes the Frobenius norm of the interaction matrix of the Ising model. This simultaneously subsumes both the breakthrough work of Basak and Mukherjee, who showed the tight result that the mean-field approximation is within $o(n)$ whenever $\|J\|_{F} = o(\sqrt{n})$, as well as the work of Jain, Koehler, and Mossel, who gave the previously best known non-asymptotic bound of $O((n\|J\|_{F})^{2/3}\log^{1/3}(n\|J\|_{F}))$. We give a simple, algorithmic proof of this result using a convex relaxation proposed by Risteski based on the Sherali-Adams hierarchy, automatically giving sub-exponential time approximation schemes for the free energy in this entire regime. Our algorithmic result is tight under Gap-ETH. We furthermore combine our techniques with spin glass theory to prove (in a strong sense) the optimality of correlation rounding, refuting a recent conjecture of Allen, O'Donnell, and Zhou. Finally, we give the tight generalization of all of these results to $k$-MRFs, capturing as a special case previous work on approximating MAX-$k$-CSP.

Yu Bai, Tengyu Ma, Andrej Risteski

While Generative Adversarial Networks (GANs) have empirically produced impressive results on learning complex real-world distributions, recent works have shown that they suffer from lack of diversity or mode collapse. The theoretical work of Arora et al. suggests a dilemma about GANs' statistical properties: powerful discriminators cause overfitting, whereas weak discriminators cannot detect mode collapse. By contrast, we show in this paper that GANs can in principle learn distributions in Wasserstein distance (or KL-divergence in many cases) with polynomial sample complexity, if the discriminator class has strong distinguishing power against the particular generator class (instead of against all possible generators). For various generator classes such as mixture of Gaussians, exponential families, and invertible and injective neural networks generators, we design corresponding discriminators (which are often neural nets of specific architectures) such that the Integral Probability Metric (IPM) induced by the discriminators can provably approximate the Wasserstein distance and/or KL-divergence. This implies that if the training is successful, then the learned distribution is close to the true distribution in Wasserstein distance or KL divergence, and thus cannot drop modes. Our preliminary experiments show that on synthetic datasets the test IPM is well correlated with KL divergence or the Wasserstein distance, indicating that the lack of diversity in GANs may be caused by the sub-optimality in optimization instead of statistical inefficiency.

Frederic Koehler, Andrej Risteski

There has been a large amount of interest, both in the past and particularly recently, into the power of different families of universal approximators, e.g. ReLU networks, polynomials, rational functions. However, current research has focused almost exclusively on understanding this problem in a worst-case setting, e.g. bounding the error of the best infinity-norm approximation in a box. In this setting a high-degree polynomial is required to even approximate a single ReLU. However, in real applications with high dimensional data we expect it is only important to approximate the desired function well on certain relevant parts of its domain. With this motivation, we analyze the ability of neural networks and polynomial kernels of bounded degree to achieve good statistical performance on a simple, natural inference problem with sparse latent structure. We give almost-tight bounds on the performance of both neural networks and low degree polynomials for this problem. Our bounds for polynomials involve new techniques which may be of independent interest and show major qualitative differences with what is known in the worst-case setting.

Sanjeev Arora, Andrej Risteski, Yi Zhang

Encoder-decoder GANs architectures (e.g., BiGAN and ALI) seek to add an inference mechanism to the GANs setup, consisting of a small encoder deep net that maps data-points to their succinct encodings. The intuition is that being forced to train an encoder alongside the usual generator forces the system to learn meaningful mappings from the code to the data-point and vice-versa, which should improve the learning of the target distribution and ameliorate mode-collapse. It should also yield meaningful codes that are useful as features for downstream tasks. The current paper shows rigorously that even on real-life distributions of images, the encode-decoder GAN training objectives (a) cannot prevent mode collapse; i.e. the objective can be near-optimal even when the generated distribution has low and finite support (b) cannot prevent learning meaningless codes for data -- essentially white noise. Thus if encoder-decoder GANs do indeed work then it must be due to reasons as yet not understood, since the training objective can be low even for meaningless solutions.

Rong Ge, Holden Lee, Andrej Risteski

A key task in Bayesian statistics is sampling from distributions that are only specified up to a partition function (i.e., constant of proportionality). However, without any assumptions, sampling (even approximately) can be #P-hard, and few works have provided "beyond worst-case" guarantees for such settings. For log-concave distributions, classical results going back to Bakry and Émery (1985) show that natural continuous-time Markov chains called Langevin diffusions mix in polynomial time. The most salient feature of log-concavity violated in practice is uni-modality: commonly, the distributions we wish to sample from are multi-modal. In the presence of multiple deep and well-separated modes, Langevin diffusion suffers from torpid mixing. We address this problem by combining Langevin diffusion with simulated tempering. The result is a Markov chain that mixes more rapidly by transitioning between different temperatures of the distribution. We analyze this Markov chain for the canonical multi-modal distribution: a mixture of gaussians (of equal variance). The algorithm based on our Markov chain provably samples from distributions that are close to mixtures of gaussians, given access to the gradient of the log-pdf. For the analysis, we use a spectral decomposition theorem for graphs (Gharan and Trevisan, 2014) and a Markov chain decomposition technique (Madras and Randall, 2002).

Sanjeev Arora, Andrej Risteski

There is general consensus that learning representations is useful for a variety of reasons, e.g. efficient use of labeled data (semi-supervised learning), transfer learning and understanding hidden structure of data. Popular techniques for representation learning include clustering, manifold learning, kernel-learning, autoencoders, Boltzmann machines, etc. To study the relative merits of these techniques, it's essential to formalize the definition and goals of representation learning, so that they are all become instances of the same definition. This paper introduces such a formal framework that also formalizes the utility of learning the representation. It is related to previous Bayesian notions, but with some new twists. We show the usefulness of our framework by exhibiting simple and natural settings -- linear mixture models and loglinear models, where the power of representation learning can be formally shown. In these examples, representation learning can be performed provably and efficiently under plausible assumptions (despite being NP-hard), and furthermore: (i) it greatly reduces the need for labeled data (semi-supervised learning) and (ii) it allows solving classification tasks when simpler approaches like nearest neighbors require too much data (iii) it is more powerful than manifold learning methods.

Mikhail Khodak, Andrej Risteski, Christiane Fellbaum et al.

This work presents an unsupervised approach for improving WordNet that builds upon recent advances in document and sense representation via distributional semantics. We apply our methods to construct Wordnets in French and Russian, languages which both lack good manual constructions.1 These are evaluated on two new 600-word test sets for word-to-synset matching and found to improve greatly upon synset recall, outperforming the best automated Wordnets in F-score. Our methods require very few linguistic resources, thus being applicable for Wordnet construction in low-resources languages, and may further be applied to sense clustering and other Wordnet improvements.