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Adam Klivans

Publications and source records attributed to Adam Klivans.

At least 19 recordsLinked to original sources
arXiv2026

New Lower and Upper Bounds for the Grothendieck Constant

We establish new bounds on the Grothendieck constant $K_G$: \[ \frac{6\pi}{11} \le K_G \le \frac{\pi}{2\log(1+\sqrt2)} - 10^{-4}. \] Methodologically, our lower bound approach differs from previous works by establishing limitations on the asymptotically optimal Krivine schemes, rather than giving explicit constructions of gap instances. Our upper bound is obtained by proposing and analyzing the first asymptotic construction of rounding schemes, whereas previous works only consider low-dimensional schemes. Together, these bounds determine the previously unknown tenths digit of $K_G$ to be $7$. The bounds were discovered by a long-running collaborative effort of humans and a long-horizon AI research system that we engineered.

cs.CC↗
arXiv2026

Long-Horizon AI Research for Grothendieck Constant: A Case Study in Human-AI Mathematical Collaboration

AI agents are increasingly used in mathematics research, but it is often unclear how to use them effectively. Towards this, we present an extensive case study of how AI was used to improve bounds on the Grothendieck constant $K_G$, which captures the hardness between combinatorial problems and their continuous relaxations. Specifically, while the precise value of $K_G$ is not known, we recently tightened the best known bounds to \[ \frac{6\pi}{11} \;\le\; K_G \;\le\; \frac{\pi}{2\log(1+\sqrt2)} - 10^{-4}. \] Crucially, these improvements were achieved using an AI research system that could arrive at insights deemed novel by domain experts. We give a detailed discussion of our experience using AI for mathematics research, particularly touching upon its strengths and weaknesses, as well as our experience with creating ideal conditions for AI to arrive at breakthrough insights.

cs.AI↗
arXiv2026

Mask-Aware Policy Gradients for Diffusion Language Models

Reinforcement learning has proven effective for improving reasoning in large language models, but extending it to Masked Diffusion Language Models (MDLMs) remains challenging due to the intractability of the log-likelihood estimation. Existing approaches approximate this log-likelihood by modeling only the token predictions, ignoring the order in which positions are unmasked during generation. We observe that MDLM generation involves two decisions at each step: what tokens to place at each masked position and which positions to remask. We formalize this as a two-stage action MDP, showing that the policy gradient naturally decomposes into a token term and a masking term. Combining optimization of both terms leads to state-of-the-art outcomes on mathematical reasoning and coding benchmarks, with scores of 87.1% on GSM8K and 53.4% on MBPP.

cs.CL↗
arXiv2026

SwitchCraft: A Programmatic Framework for Designing State-Switching Proteins

Multistate mechanisms underlie many of the complex functions observed in natural proteins. The ability to rationally design multistate proteins would have transformative implications for many areas of biotechnology, yet lies beyond the capabilities of existing deep learning frameworks for protein design. To address this gap, we introduce SwitchCraft, a versatile and programmatic framework for designing state-switching proteins based on backpropagation through compositional design constraints parameterized by structure prediction models. In silico evaluations demonstrate success on a wide range of state-switching functional primitives, from allosteric regulation of motifs to discrimination of bound ligand identities. Using these primitives, we demonstrate an in silico strategy for de novo design of fluorescent biosensors to arbitrary small molecule analytes. These results position SwitchCraft at the inception of a powerful paradigm for higher-order functional protein design. Code is available at https://github.com/bjing2016/switchcraft.

q-bio.BM↗
arXiv2026

Ambient Dataloops: Generative Models for Dataset Refinement

We propose Ambient Dataloops, an iterative framework for refining datasets that makes it easier for diffusion models to learn the underlying data distribution. Modern datasets contain samples of highly varying quality, and training directly on such heterogeneous data often yields suboptimal models. We propose a dataset-model co-evolution process; at each iteration of our method, the dataset becomes progressively higher quality, and the model improves accordingly. To avoid destructive self-consuming loops, at each generation, we treat the synthetically improved samples as noisy, but at a slightly lower noisy level than the previous iteration, and we use Ambient Diffusion techniques for learning under corruption. Empirically, Ambient Dataloops achieve state-of-the-art performance in unconditional and text-conditional image generation and de novo protein design. We further provide a theoretical justification for the proposed framework that captures the benefits of the data looping procedure.

cs.LG↗
arXiv2025

Triangle Multiplication Is All You Need For Biomolecular Structure Representations

AlphaFold has transformed protein structure prediction, but emerging applications such as virtual ligand screening, proteome-wide folding, and de novo binder design demand predictions at a massive scale, where runtime and memory costs become prohibitive. A major bottleneck lies in the Pairformer backbone of AlphaFold3-style models, which relies on computationally expensive triangular primitives-especially triangle attention-for pairwise reasoning. We introduce Pairmixer, a streamlined alternative that eliminates triangle attention while preserving higher-order geometric reasoning capabilities that are critical for structure prediction. Pairmixer substantially improves computational efficiency, matching state-of-the-art structure predictors across folding and docking benchmarks, delivering up to 4x faster inference on long sequences while reducing training cost by 34%. Its efficiency alleviates the computational burden of downstream applications such as modeling large protein complexes, high-throughput ligand and binder screening, and hallucination-based design. Within BoltzDesign, for example, Pairmixer delivers over 2x faster sampling and scales to sequences ~30% longer than the memory limits of Pairformer. Code is available at https://github.com/genesistherapeutics/pairmixer.

q-bio.QM↗
arXiv2025

Ambient Diffusion Omni: Training Good Models with Bad Data

We show how to use low-quality, synthetic, and out-of-distribution images to improve the quality of a diffusion model. Typically, diffusion models are trained on curated datasets that emerge from highly filtered data pools from the Web and other sources. We show that there is immense value in the lower-quality images that are often discarded. We present Ambient Diffusion Omni, a simple, principled framework to train diffusion models that can extract signal from all available images during training. Our framework exploits two properties of natural images -- spectral power law decay and locality. We first validate our framework by successfully training diffusion models with images synthetically corrupted by Gaussian blur, JPEG compression, and motion blur. We then use our framework to achieve state-of-the-art ImageNet FID, and we show significant improvements in both image quality and diversity for text-to-image generative modeling. The core insight is that noise dampens the initial skew between the desired high-quality distribution and the mixed distribution we actually observe. We provide rigorous theoretical justification for our approach by analyzing the trade-off between learning from biased data versus limited unbiased data across diffusion times.

cs.GR↗
arXiv2025

Learning Juntas under Markov Random Fields

We give an algorithm for learning $O(\log n)$ juntas in polynomial-time with respect to Markov Random Fields (MRFs) in a smoothed analysis framework where only the external field has been randomly perturbed. This is a broad generalization of the work of Kalai and Teng, who gave an algorithm that succeeded with respect to smoothed product distributions (i.e., MRFs whose dependency graph has no edges). Our algorithm has two phases: (1) an unsupervised structure learning phase and (2) a greedy supervised learning algorithm. This is the first example where algorithms for learning the structure of an undirected graphical model lead to provably efficient algorithms for supervised learning.

cs.LG↗
arXiv2024

Learning the Sherrington-Kirkpatrick Model Even at Low Temperature

We consider the fundamental problem of learning the parameters of an undirected graphical model or Markov Random Field (MRF) in the setting where the edge weights are chosen at random. For Ising models, we show that a multiplicative-weight update algorithm due to Klivans and Meka learns the parameters in polynomial time for any inverse temperature $\beta \leq \sqrt{\log n}$. This immediately yields an algorithm for learning the Sherrington-Kirkpatrick (SK) model beyond the high-temperature regime of $\beta < 1$. Prior work breaks down at $\beta = 1$ and requires heavy machinery from statistical physics or functional inequalities. In contrast, our analysis is relatively simple and uses only subgaussian concentration. Our results extend to MRFs of higher order (such as pure $p$-spin models), where even results in the high-temperature regime were not known.

cs.LG↗
arXiv2024

Smoothed Analysis for Learning Concepts with Low Intrinsic Dimension

In traditional models of supervised learning, the goal of a learner-- given examples from an arbitrary joint distribution on $\mathbb{R}^d \times \{\pm 1\}$-- is to output a hypothesis that is competitive (to within $\epsilon$) of the best fitting concept from some class. In order to escape strong hardness results for learning even simple concept classes, we introduce a smoothed-analysis framework that requires a learner to compete only with the best classifier that is robust to small random Gaussian perturbation. This subtle change allows us to give a wide array of learning results for any concept that (1) depends on a low-dimensional subspace (aka multi-index model) and (2) has a bounded Gaussian surface area. This class includes functions of halfspaces and (low-dimensional) convex sets, cases that are only known to be learnable in non-smoothed settings with respect to highly structured distributions such as Gaussians. Our definition of smoothed agnostic learning is an interpolation between the case where the instance distribution $D$ and the optimal classifier can be arbitrarily coupled (which corresponds to agnostic learning and $\sigma = 0$) and completely decoupled (when $\sigma = \infty$). This decoupling allows us to avoid worst-case concepts that can encode complexity-theoretic primitives. Surprisingly, our analysis also yields new results for traditional non-smoothed frameworks such as learning with margin. In particular, we obtain the first algorithm for agnostically learning intersections of $k$-halfspaces in time $k^{\mathrm{poly}(\frac{\log k}{\epsilon \gamma}) }$ where $\gamma$ is the margin parameter. Before our work, the best-known runtime was exponential in $k$ (Arriaga and Vempala, FOCS' 99).

cs.LG↗
arXiv2023

Learning Mixtures of Gaussians Using the DDPM Objective

Recent works have shown that diffusion models can learn essentially any distribution provided one can perform score estimation. Yet it remains poorly understood under what settings score estimation is possible, let alone when practical gradient-based algorithms for this task can provably succeed. In this work, we give the first provably efficient results along these lines for one of the most fundamental distribution families, Gaussian mixture models. We prove that gradient descent on the denoising diffusion probabilistic model (DDPM) objective can efficiently recover the ground truth parameters of the mixture model in the following two settings: 1) We show gradient descent with random initialization learns mixtures of two spherical Gaussians in $d$ dimensions with $1/\text{poly}(d)$-separated centers. 2) We show gradient descent with a warm start learns mixtures of $K$ spherical Gaussians with $\Omega(\sqrt{\log(\min(K,d))})$-separated centers. A key ingredient in our proofs is a new connection between score-based methods and two other approaches to distribution learning, the EM algorithm and spectral methods.

cs.DS↗
arXiv2023

One-Dimensional Deep Image Prior for Curve Fitting of S-Parameters from Electromagnetic Solvers

A key problem when modeling signal integrity for passive filters and interconnects in IC packages is the need for multiple S-parameter measurements within a desired frequency band to obtain adequate resolution. These samples are often computationally expensive to obtain using electromagnetic (EM) field solvers. Therefore, a common approach is to select a small subset of the necessary samples and use an appropriate fitting mechanism to recreate a densely-sampled broadband representation. We present the first deep generative model-based approach to fit S-parameters from EM solvers using one-dimensional Deep Image Prior (DIP). DIP is a technique that optimizes the weights of a randomly-initialized convolutional neural network to fit a signal from noisy or under-determined measurements. We design a custom architecture and propose a novel regularization inspired by smoothing splines that penalizes discontinuous jumps. We experimentally compare DIP to publicly available and proprietary industrial implementations of Vector Fitting (VF), the industry-standard tool for fitting S-parameters. Relative to publicly available implementations of VF, our method shows superior performance on nearly all test examples using only 5-15% of the frequency samples. Our method is also competitive to proprietary VF tools and often outperforms them for challenging input instances.

cs.LG↗
arXiv2023

Ambient Diffusion: Learning Clean Distributions from Corrupted Data

We present the first diffusion-based framework that can learn an unknown distribution using only highly-corrupted samples. This problem arises in scientific applications where access to uncorrupted samples is impossible or expensive to acquire. Another benefit of our approach is the ability to train generative models that are less likely to memorize individual training samples since they never observe clean training data. Our main idea is to introduce additional measurement distortion during the diffusion process and require the model to predict the original corrupted image from the further corrupted image. We prove that our method leads to models that learn the conditional expectation of the full uncorrupted image given this additional measurement corruption. This holds for any corruption process that satisfies some technical conditions (and in particular includes inpainting and compressed sensing). We train models on standard benchmarks (CelebA, CIFAR-10 and AFHQ) and show that we can learn the distribution even when all the training samples have $90\%$ of their pixels missing. We also show that we can finetune foundation models on small corrupted datasets (e.g. MRI scans with block corruptions) and learn the clean distribution without memorizing the training set.

cs.LG↗
arXiv2020

Tight Hardness Results for Training Depth-2 ReLU Networks

We prove several hardness results for training depth-2 neural networks with the ReLU activation function; these networks are simply weighted sums (that may include negative coefficients) of ReLUs. Our goal is to output a depth-2 neural network that minimizes the square loss with respect to a given training set. We prove that this problem is NP-hard already for a network with a single ReLU. We also prove NP-hardness for outputting a weighted sum of $k$ ReLUs minimizing the squared error (for $k>1$) even in the realizable setting (i.e., when the labels are consistent with an unknown depth-2 ReLU network). We are also able to obtain lower bounds on the running time in terms of the desired additive error $\epsilon$. To obtain our lower bounds, we use the Gap Exponential Time Hypothesis (Gap-ETH) as well as a new hypothesis regarding the hardness of approximating the well known Densest $\kappa$-Subgraph problem in subexponential time (these hypotheses are used separately in proving different lower bounds). For example, we prove that under reasonable hardness assumptions, any proper learning algorithm for finding the best fitting ReLU must run in time exponential in $1/\epsilon^2$. Together with a previous work regarding improperly learning a ReLU (Goel et al., COLT'17), this implies the first separation between proper and improper algorithms for learning a ReLU. We also study the problem of properly learning a depth-2 network of ReLUs with bounded weights giving new (worst-case) upper bounds on the running time needed to learn such networks both in the realizable and agnostic settings. Our upper bounds on the running time essentially matches our lower bounds in terms of the dependency on $\epsilon$.

cs.LG↗
arXiv2020

The Polynomial Method is Universal for Distribution-Free Correlational SQ Learning

We consider the problem of distribution-free learning for Boolean function classes in the PAC and agnostic models. Generalizing a beautiful work of Malach and Shalev-Shwartz (2022) that gave tight correlational SQ (CSQ) lower bounds for learning DNF formulas, we give new proofs that lower bounds on the threshold or approximate degree of any function class directly imply CSQ lower bounds for PAC or agnostic learning respectively. While such bounds implicitly follow by combining prior results by Feldman (2008, 2012) and Sherstov (2008, 2011), to our knowledge the precise statements we give had not appeared in this form before. Moreover, our proofs are simple and largely self-contained. These lower bounds match corresponding positive results using upper bounds on the threshold or approximate degree in the SQ model for PAC or agnostic learning, and in this sense these results show that the polynomial method is a universal, best-possible approach for distribution-free CSQ learning.

cs.DS↗
arXiv2020

From Boltzmann Machines to Neural Networks and Back Again

Graphical models are powerful tools for modeling high-dimensional data, but learning graphical models in the presence of latent variables is well-known to be difficult. In this work we give new results for learning Restricted Boltzmann Machines, probably the most well-studied class of latent variable models. Our results are based on new connections to learning two-layer neural networks under $\ell_{\infty}$ bounded input; for both problems, we give nearly optimal results under the conjectured hardness of sparse parity with noise. Using the connection between RBMs and feedforward networks, we also initiate the theoretical study of $supervised~RBMs$ [Hinton, 2012], a version of neural-network learning that couples distributional assumptions induced from the underlying graphical model with the architecture of the unknown function class. We then give an algorithm for learning a natural class of supervised RBMs with better runtime than what is possible for its related class of networks without distributional assumptions.

cs.LG↗
arXiv2020

Statistical-Query Lower Bounds via Functional Gradients

We give the first statistical-query lower bounds for agnostically learning any non-polynomial activation with respect to Gaussian marginals (e.g., ReLU, sigmoid, sign). For the specific problem of ReLU regression (equivalently, agnostically learning a ReLU), we show that any statistical-query algorithm with tolerance $n^{-(1/\epsilon)^b}$ must use at least $2^{n^c} \epsilon$ queries for some constant $b, c > 0$, where $n$ is the dimension and $\epsilon$ is the accuracy parameter. Our results rule out general (as opposed to correlational) SQ learning algorithms, which is unusual for real-valued learning problems. Our techniques involve a gradient boosting procedure for "amplifying" recent lower bounds due to Diakonikolas et al. (COLT 2020) and Goel et al. (ICML 2020) on the SQ dimension of functions computed by two-layer neural networks. The crucial new ingredient is the use of a nonstandard convex functional during the boosting procedure. This also yields a best-possible reduction between two commonly studied models of learning: agnostic learning and probabilistic concepts.

cs.LG↗