jacobian
Identifiability of Deep Polynomial Neural Networks
Polynomial Neural Networks (PNNs) possess a rich algebraic and geometric structure. However, their identifiability--a key property for ensuring interpretability-- remains poorly understood. In this work, we present a comprehensive analysis of the identifiability of deep PNNs, including architectures with and without bias terms. Our results reveal an intricate interplay between activation degrees and layer widths in achieving identifiability. As special cases, we show that architectures with non-increasing layer widths are generically identifiable under mild conditions, while encoder-decoder networks are identifiable when the decoder widths do not grow too rapidly compared to the activation degrees. Our proofs are constructive and center on a connection between deep PNNs and low-rank tensor decompositions, and Kruskal-type uniqueness theorems. We also settle an open conjecture on the dimension of PNN's neurovarieties, and provide new bounds on the activation degrees required for it to reach the expected dimension.
Solving Neural Min-Max Games: The Role of Architecture, Initialization & Dynamics
Many emerging applications--such as adversarial training, AI alignment, and robust optimization--can be framed as zero-sum games between neural nets, with von Neumann-Nash equilibria (NE) capturing the desirable system behavior. While such games often involve non-convex non-concave objectives, empirical evidence shows that simple gradient methods frequently converge, suggesting a hidden geometric structure. In this paper, we provide a theoretical framework that explains this phenomenon through the lens of hidden convexity and overparameterization. We identify sufficient conditions--spanning initialization, training dynamics, and network width--that guarantee global convergence to a NE in a broad class of non-convex min-max games. To our knowledge, this is the first such result for games that involve two-layer neural networks. Technically, our approach is twofold: (a) we derive a novel path-length bound for the alternating gradient descent-ascent scheme in min-max games; and (b) we show that the reduction from a hidden convex-concave geometry to two-sided Polyak-ลojasiewicz (PL) min-max condition hold with high probability under overparameterization, using tools from random matrix theory.
Fast constrained sampling in pre-trained diffusion models
Large denoising diffusion models, such as Stable Diffusion, have been trained on billions of image-caption pairs to perform text-conditioned image generation. As a byproduct of this training, these models have acquired general knowledge about image statistics, which can be useful for other inference tasks. However, when confronted with sampling an image under new constraints, e.g.
Parallelizing MCMCAcross the Sequence Length
Markov chain Monte Carlo (MCMC) methods are foundational algorithms for Bayesian inference and probabilistic modeling. However, most MCMC algorithms are inherently sequential and their time complexity scales linearly with the sequence length. Previous work on adapting MCMC to modern hardware has therefore focused on running many independent chains in parallel. Here, we take an alternative approach: we propose algorithms to evaluate MCMC samplers in parallel across the chain length. To do this, we build on recent methods for parallel evaluation of nonlinear recursions that formulate the state sequence as a solution to a fixed-point problem and solve for the fixed-point using a parallel form of Newton's method. We show how this approach can be used to parallelize Gibbs, Metropolis-adjusted Langevin, and Hamiltonian Monte Carlo sampling across the sequence length. In several examples, we demonstrate the simulation of up to hundreds of thousands of MCMC samples with only tens of parallel Newton iterations. Additionally, we develop two new parallel quasi-Newton methods to evaluate nonlinear recursions with lower memory costs and reduced runtime. We find that the proposed parallel algorithms accelerate MCMC sampling across multiple examples, in some cases by more than an order of magnitude compared to sequential evaluation.
Smoothed Differentiation Efficiently Mitigates Shattered Gradients in Explanations
Adrian Hill, Neal McKee, Johannes Maeร, Stefan Blรผcher, Klaus-Robert Mรผller
Thus, SmoothDiff greatly enhances the usability (quality and speed) SmoothDiff's excellent speed and performance in a number of experiments and sible for shattered gradients and making it easy to implement. We demonstrate across a network architecture, directly targeting only the non4linearities respon4 leverages automatic differentiation to decompose the expected values of Jacobians yielding a speedup of over two orders of magnitude. Specifically, SmoothDiff work we propose a well founded novel method SmoothDiff to resolve this tradeoff demand, therefore in practice only few samples are used in SmoothGrad.
Diverse Influence Component Analysis: A Geometric Approach to Nonlinear Mixture Identifiability
Latent component identification from unknown mixtures is a foundational challenge in machine learning, with applications in tasks such as self-supervised learning and causal representation learning. Prior work in (nICA) has shown that auxiliary signals---such as weak supervision---can support of conditionally independent latent components. More recent approaches explore structural assumptions, like sparsity in the Jacobian of the mixing function, to relax such requirements. In this work, we introduce (DICA), a framework that exploits the convex geometry of the mixing function's Jacobian. We propose a (J-VolMax) criterion, which enables latent component identification by encouraging diversity in their influence on the observed variables. Under suitable conditions, this approach achieves identifiability without relying on auxiliary information, latent component independence, or Jacobian sparsity assumptions. These results extend the scope of identifiability analysis and offer a complementary perspective to existing methods.
Characterizing control between interacting subsystems with deep Jacobian estimation
Biological function arises through the dynamical interactions of multiple subsystems, including those between brain areas, within gene regulatory networks, and more. A common approach to understanding these systems is to model the dynamics of each subsystem and characterize communication between them. An alternative approach is through the lens of control theory: how the subsystems control one another. This approach involves inferring the directionality, strength, and contextual modulation of control between subsystems. However, methods for understanding subsystem control are typically linear and cannot adequately describe the rich contextual effects enabled by nonlinear complex systems.
Characterizing the Representational Capacity of Neural Processes
What functions can Neural Processes represent? We analyze the representational capacity of popular NP architectures: Conditional Neural Processes (CNPs), Attentive Neural Processes (ANPs), Transformer Neural Processes (TNPs), and their latent variants. We prove these architectures form a strict hierarchy. CNP-representable functions are exactly those depending on finitely many expected features of the context distribution. ANPs strictly generalize CNPs via query-dependent reweighting, enabling kernel smoothers. ConvCNPs and ANPs are incomparable; each contains functions outside the other, separated by stationarity versus translation equivariance. TNPs with $L$ self-attention layers capture $L$-hop context interactions. For latent NPs, we show finite-dimensional latents provide coherent sampling but do not circumvent encoder limitations; matching GP posterior distributions requires latent dimension scaling with context size. These results provide a theoretical foundation for architecture selection based on task structure.
Compositional Generalization from First Principles
Leveraging the compositional nature of our world to expedite learning and facilitate generalization is a hallmark of human perception. In machine learning, on the other hand, achieving compositional generalization has proven to be an elusive goal, even for models with explicit compositional priors. To get a better handle on compositional generalization, we here approach it from the bottom up: Inspired by identifiable representation learning, we investigate compositionality as a property of the data-generating process rather than the data itself. This reformulation enables us to derive mild conditions on only the support of the training distribution and the model architecture, which are sufficient for compositional generalization. We further demonstrate how our theoretical framework applies to real-world scenarios and validate our findings empirically. Our results set the stage for a principled theoretical study of compositional generalization.
Gradient Flossing: Improving Gradient Descent through Dynamic Control of Jacobians
Training recurrent neural networks (RNNs) remains a challenge due to the instability of gradients across long time horizons, which can lead to exploding and vanishing gradients. Recent research has linked these problems to the values of Lyapunov exponents for the forward-dynamics, which describe the growth or shrinkage of infinitesimal perturbations. Here, we propose gradient flossing, a novel approach to tackling gradient instability by pushing Lyapunov exponents of the forward dynamics toward zero during learning. We achieve this by regularizing Lyapunov exponents through backpropagation using differentiable linear algebra. This enables us to "floss" the gradients, stabilizing them and thus improving network training.