Training data attribution (TDA) should enable generative model interpretability and foster a variety of related downstream tasks. Nonetheless, current TDA approaches lack reliability and robustness, preventing their adoption in real-world setups. In this paper, we take a decisive step towards more reliable and robust TDA for diffusion models. We propose to perform TDA with mirrored unlearning and noise-consistent skew (MUCS). The idea is to fine-tune a second model with bounded mirrored gradient ascent, and to measure the normalized skew of this model with respect to the original one using consistent noise samples. We show that, while being conceptually simple and generic, MUCS systematically outperforms existing methods on three different datasets by a large margin. We additionally study the effect that core design choices have on final performance, and analyze novel aspects regarding the overlap of influential instances across generated items and the potential of ensembling TDA approaches. We believe that our findings may have broader implications for more general unlearning setups, as well as for tasks requiring the comparison of diffusion losses.

Recent works show that adversarial examples exist for random neural networks [Daniely and Shacham, 2020] and that these examples can be found using a single step of gradient ascent [Bubeck et al., 2021]. In this work, we extend this line of work to "lazy training" of neural networks - a dominant model in deep learning theory in which neural networks are provably efficiently learnable. We show that over-parametrized neural networks that are guaranteed to generalize well and enjoy strong computational guarantees remain vulnerable to attacks generated using a single step of gradient ascent.

We list the raw data sources used across all experiments in Table 17: the MNIST dataset (Creative Commons Attribution-Share Alike 3.0 license), the arithmetic expressions dataset from Kusner et al. [4], and the ZINC data (see also https://zinc.docking.org/)

Optimization in the latent space of variational autoencoders is a promising approach to generate high-dimensional discrete objects that maximize an expensive black-box property (e.g., drug-likeness in molecular generation, function approximation with arithmetic expressions). However, existing methods lack robustness as they may decide to explore areas of the latent space for which no data was available during training and where the decoder can be unreliable, leading to the generation of unrealistic or invalid objects. We propose to leverage the epistemic uncertainty of the decoder to guide the optimization process. This is not trivial though, as a naive estimation of uncertainty in the high-dimensional and structured settings we consider would result in high estimator variance. To solve this problem, we introduce an importance sampling-based estimator that provides more robust estimates of epistemic uncertainty. Our uncertainty-guided optimization approach does not require modifications of the model architecture nor the training process. It produces samples with a better trade-off between black-box objective and validity of the generated samples, sometimes improving both simultaneously. We illustrate these advantages across several experimental settings in digit generation, arithmetic expression approximation and molecule generation for drug design.

Recent work on scaling up Gaussian process regression (GPR) to large datasets has primarily focused on sparse GPR, which leverages a small set of basis functions to approximate the full Gaussian process during inference. However, the majority of these approaches are batch methods that operate on the entire training dataset at once, precluding the use of datasets that are streaming or too large to fit into memory. Although previous work has considered incrementally solving variational sparse GPR, most algorithms fail to update the basis functions and therefore perform suboptimally. We propose a novel incremental learning algorithm for variational sparse GPR based on stochastic mirror ascent of probability densities in reproducing kernel Hilbert space. This new formulation allows our algorithm to update basis functions online in accordance with the manifold structure of probability densities for fast convergence. We conduct several experiments and show that our proposed approach achieves better empirical performance in terms of prediction error than the recent state-of-the-art incremental solutions to variational sparse GPR.

In this paper, we study the problem of maximizing continuous submodular functions that naturally arise in many learning applications such as those involving utility functions in active learning and sensing, matrix approximations and network inference. Despite the apparent lack of convexity in such functions, we prove that stochastic projected gradient methods can provide strong approximation guarantees for maximizing continuous submodular functions with convex constraints. More specifically, we prove that for monotone continuous DR-submodular functions, all fixed points of projected gradient ascent provide a factor $1/2$ approximation to the global maxima. We also study stochastic gradient methods and show that after $\mathcal{O}(1/\epsilon^2)$ iterations these methods reach solutions which achieve in expectation objective values exceeding $(\frac{\text{OPT}}{2}-\epsilon)$. An immediate application of our results is to maximize submodular functions that are defined stochastically, i.e. the submodular function is defined as an expectation over a family of submodular functions with an unknown distribution. We will show how stochastic gradient methods are naturally well-suited for this setting, leading to a factor $1/2$ approximation when the function is monotone. In particular, it allows us to approximately maximize discrete, monotone submodular optimization problems via projected gradient ascent on a continuous relaxation, directly connecting the discrete and continuous domains. Finally, experiments on real data demonstrate that our projected gradient methods consistently achieve the best utility compared to other continuous baselines while remaining competitive in terms of computational effort.

We study offline model-based optimization to maximize a black-box objective function with a static dataset of designs and scores.