NeurIPS 2023 Papers

Learning graphical conditional independence structures is an important machine learning problem and a cornerstone of causal discovery. However, the accuracy and execution time of learning algorithms generally struggle to scale to problems with hundreds of highly connected variables---for instance, recovering brain networks from fMRI data. We introduce the best order score search (BOSS) and grow-shrink trees (GSTs) for learning directed acyclic graphs (DAGs) in this paradigm. BOSS greedily searches over permutations of variables, using GSTs to construct and score DAGs from permutations. GSTs efficiently cache scores to eliminate redundant calculations. BOSS achieves state-of-the-art performance in accuracy and execution time, comparing favorably to a variety of combinatorial and gradient-based learning algorithms under a broad range of conditions. To demonstrate its practicality, we apply BOSS to two sets of resting-state fMRI data: simulated data with pseudo-empirical noise distributions derived from randomized empirical fMRI cortical signals and clinical data from 3T fMRI scans processed into cortical parcels. BOSS is available for use within the TETRAD project which includes Python and R wrappers.

Offline imitation from observations aims to solve MDPs where only task-specific expert states and task-agnostic non-expert state-action pairs are available. Offline imitation is useful in real-world scenarios where arbitrary interactions are costly and expert actions are unavailable. The state-of-the-art ‘DIstribution Correction Estimation’ (DICE) methods minimize divergence of state occupancy between expert and learner policies and retrieve a policy with weighted behavior cloning; however, their results are unstable when learning from incomplete trajectories, due to a non-robust optimization in the dual domain. To address the issue, in this paper, we propose Trajectory-Aware Imitation Learning from Observations (TAILO). TAILO uses a discounted sum along the future trajectory as the weight for weighted behavior cloning. The terms for the sum are scaled by the output of a discriminator, which aims to identify expert states. Despite simplicity, TAILO works well if there exist trajectories or segments of expert behavior in the task-agnostic data, a common assumption in prior work. In experiments across multiple testbeds, we find TAILO to be more robust and effective, particularly with incomplete trajectories.

Federated Learning (FL) is an emerging collaborative machine learning framework where multiple clients train the global model without sharing their own datasets. In FL, the model inconsistency caused by the local data heterogeneity across clients results in the near-orthogonality of client updates, which leads to the global update norm reduction and slows down the convergence. Most previous works focus on eliminating the difference of parameters (or gradients) between the local and global models, which may fail to reflect the model inconsistency due to the complex structure of the machine learning model and the Euclidean space's limitation in meaningful geometric representations. In this paper, we propose FedMRUR by adopting the manifold model fusion scheme and a new global optimizer to alleviate the negative impacts. Concretely, FedMRUR adopts a hyperbolic graph manifold regularizer enforcing the representations of the data in the local and global models are close to each other in a low-dimensional subspace. Because the machine learning model has the graph structure, the distance in hyperbolic space can reflect the model bias better than the Euclidean distance. In this way, FedMRUR exploits the manifold structures of the representations to significantly reduce the model inconsistency. FedMRUR also aggregates the client updates norms as the global update norm, which can appropriately enlarge each client's contribution to the global update, thereby mitigating the norm reduction introduced by the near-orthogonality of client updates. Furthermore, we theoretically prove that our algorithm can achieve a linear speedup property $\mathcal{O}(\frac{1}{\sqrt{SKT}})$ for non-convex setting under partial client participation, where $S$ is the participated clients number, $K$ is the local interval and $T$ is the total number of communication rounds. Experiments demonstrate that FedMRUR can achieve a new state-of-the-art (SOTA) accuracy with less communication.

Data augmentation techniques, such as image transformations and combinations, are highly effective at improving the generalization of computer vision models, especially when training data is limited. However, such techniques are fundamentally incompatible with differentially private learning approaches, due to the latter’s built-in assumption that each training image’s contribution to the learned model is bounded. In this paper, we investigate why naive applications of multi-sample data augmentation techniques, such as mixup, fail to achieve good performance and propose two novel data augmentation techniques specifically designed for the constraints of differentially private learning. Our first technique, DP-Mix_Self, achieves SoTA classification performance across a range of datasets and settings by performing mixup on self-augmented data. Our second technique, DP-Mix_Diff, further improves performance by incorporating synthetic data from a pre-trained diffusion model into the mixup process. We open-source the code at https://github.com/wenxuan-Bao/DP-Mix.

How neuronal circuits achieve credit assignment remains a central unsolved question in systems neuroscience. Various studies have suggested plausible solutions for back-propagating error signals through multi-layer networks. These purely functionally motivated models assume distinct neuronal compartments to represent local error signals that determine the sign of synaptic plasticity. However, this explicit error modulation is inconsistent with phenomenological plasticity models in which the sign depends primarily on postsynaptic activity. Here we show how a plausible microcircuit model and Hebbian learning rule derived within an adaptive control theory framework can resolve this discrepancy. Assuming errors are encoded in top-down dis-inhibitory synaptic afferents, we show that error-modulated learning emerges naturally at the circuit level when recurrent inhibition explicitly influences Hebbian plasticity. The same learning rule accounts for experimentally observed plasticity in the absence of inhibition and performs comparably to back-propagation of error (BP) on several non-linearly separable benchmarks. Our findings bridge the gap between functional and experimentally observed plasticity rules and make concrete predictions on inhibitory modulation of excitatory plasticity.

Providing formal guarantees of algorithmic fairness is of paramount importance to socially responsible deployment of machine learning algorithms. In this work, we study formal guarantees, i.e., certificates, for individual fairness (IF) of neural networks. We start by introducing a novel convex approximation of IF constraints that exponentially decreases the computational cost of providing formal guarantees of local individual fairness. We highlight that prior methods are constrained by their focus on global IF certification and can therefore only scale to models with a few dozen hidden neurons, thus limiting their practical impact. We propose to certify \textit{distributional} individual fairness which ensures that for a given empirical distribution and all distributions within a $\gamma$-Wasserstein ball, the neural network has guaranteed individually fair predictions. Leveraging developments in quasi-convex optimization, we provide novel and efficient certified bounds on distributional individual fairness and show that our method allows us to certify and regularize neural networks that are several orders of magnitude larger than those considered by prior works. Moreover, we study real-world distribution shifts and find our bounds to be a scalable, practical, and sound source of IF guarantees.

Optimal Transport (OT) problem investigates a transport map that bridges two distributions while minimizing a given cost function. In this regard, OT between tractable prior distribution and data has been utilized for generative modeling tasks. However, OT-based methods are susceptible to outliers and face optimization challenges during training. In this paper, we propose a novel generative model based on the semi-dual formulation of Unbalanced Optimal Transport (UOT). Unlike OT, UOT relaxes the hard constraint on distribution matching. This approach provides better robustness against outliers, stability during training, and faster convergence. We validate these properties empirically through experiments. Moreover, we study the theoretical upper-bound of divergence between distributions in UOT. Our model outperforms existing OT-based generative models, achieving FID scores of 2.97 on CIFAR-10 and 6.36 on CelebA-HQ-256. The code is available at \url{https://github.com/Jae-Moo/UOTM}.

In this paper, we empirically study the optimization dynamics of multi-task learning, particularly focusing on those that govern a collection of tasks with significant data imbalance. We present a simple yet effective method of pre-training on high-resource tasks, followed by fine-tuning on a mixture of high/low-resource tasks. We provide a thorough empirical study and analysis of this method's benefits showing that it achieves consistent improvements relative to the performance trade-off profile of standard static weighting. We analyze under what data regimes this method is applicable and show its improvements empirically in neural machine translation (NMT) and multi-lingual language modeling.

Biological vision systems make adaptive use of context to recognize objects in new settings with novel contexts as well as occluded or blurry objects in familiar settings. In this paper, we investigate how vision models adaptively use context for out-of-distribution (OOD) generalization and leverage our analysis results to improve model OOD generalization. First, we formulate two distinct OOD settings where the contexts are either beneficial Object-Disambiguation or irrelevant Background-Invariance, reflecting the diverse contextual challenges faced in biological vision. We then analyze model performance in these two different OOD settings and demonstrate that models that excel in one setting tend to struggle in the other. Notably, prior works on learning causal features improve on one setting but hurt on the other. This underscores the importance of generalizing across both OOD settings, as this ability is crucial for both human cognition and robust AI systems. Next, to better understand the model properties contributing to OOD generalization, we use representational geometry analysis and our own probing methods to examine a population of models, and we discover that those with more factorized representations and appropriate feature weighting are more successful in handling Object-Disambiguation and Background-Invariance tests. We further validate these findings through causal intervention, manipulating representation factorization and feature weighting to demonstrate their causal effect on performance. Motivated by our analysis results, we propose new augmentation methods aimed at enhancing model generalization. The proposed methods outperform strong baselines, yielding improvements in both in-distribution and OOD tests. We conclude that, in order to replicate the generalization abilities of biological vision, computer vision models must have factorized object vs. background representations and appropriately weigh both kinds of features.

This paper addresses the problem of localizing and inferring multiple change points, in non-parametric multivariate time series settings. Specifically, we consider a multivariate time series with potentially short-range dependence, whose underlying distributions have Hölder smooth densities and can change over time in a piecewise-constant manner. The change points, which correspond to the times when the distribution changes, are unknown. We present the limiting distributions of the change point estimators under the scenarios where the minimal jump size vanishes or remains constant. Such results have not been revealed in the literature in non-parametric change point settings. As byproducts, we develop a sharp estimator that can accurately localize the change points in multivariate non-parametric time series, and a consistent block-type long-run variance estimator. Numerical studies are provided to complement our theoretical findings.

This paper studies the fundamental learning problem of the energy-based model (EBM). Learning the EBM can be achieved using the maximum likelihood estimation (MLE), which typically involves the Markov Chain Monte Carlo (MCMC) sampling, such as the Langevin dynamics. However, the noise-initialized Langevin dynamics can be challenging in practice and hard to mix. This motivates the exploration of joint training with the generator model where the generator model serves as a complementary model to bypass MCMC sampling. However, such a method can be less accurate than the MCMC and result in biased EBM learning. While the generator can also serve as an initializer model for better MCMC sampling, its learning can be biased since it only matches the EBM and has no access to empirical training examples. Such biased generator learning may limit the potential of learning the EBM. To address this issue, we present a joint learning framework that interweaves the maximum likelihood learning algorithm for both the EBM and the complementary generator model. In particular, the generator model is learned by MLE to match both the EBM and the empirical data distribution, making it a more informative initializer for MCMC sampling of EBM. Learning generator with observed examples typically requires inference of the generator posterior. To ensure accurate and efficient inference, we adopt the MCMC posterior sampling and introduce a complementary inference model to initialize such latent MCMC sampling. We show that three separate models can be seamlessly integrated into our joint framework through two (dual-) MCMC teaching, enabling effective and efficient EBM learning.

In this paper we offer a new perspective on the well established agglomerative clustering algorithm, focusing on recovery of hierarchical structure. We recommend a simple variant of the standard algorithm, in which clusters are merged by maximum average dot product and not, for example, by minimum distance or within-cluster variance. We demonstrate that the tree output by this algorithm provides a bona fide estimate of generative hierarchical structure in data, under a generic probabilistic graphical model. The key technical innovations are to understand how hierarchical information in this model translates into tree geometry which can be recovered from data, and to characterise the benefits of simultaneously growing sample size and data dimension. We demonstrate superior tree recovery performance with real data over existing approaches such as UPGMA, Ward's method, and HDBSCAN.

This work is dedicated to the algorithm design in a competitive framework, with the primary goal of learning a stable equilibrium. We consider the dynamic price competition between two firms operating within an opaque marketplace, where each firm lacks information about its competitor. The demand follows the multinomial logit (MNL) choice model, which depends on the consumers' observed price and their reference price, and consecutive periods in the repeated games are connected by reference price updates. We use the notion of stationary Nash equilibrium (SNE), defined as the fixed point of the equilibrium pricing policy for the single-period game, to simultaneously capture the long-run market equilibrium and stability. We propose the online projected gradient ascent algorithm (OPGA), where the firms adjust prices using the first-order derivatives of their log-revenues that can be obtained from the market feedback mechanism. Despite the absence of typical properties required for the convergence of online games, such as strong monotonicity and variational stability, we demonstrate that under diminishing step-sizes, the price and reference price paths generated by OPGA converge to the unique SNE, thereby achieving the no-regret learning and a stable market. Moreover, with appropriate step-sizes, we prove that this convergence exhibits a rate of $\mathcal{O}(1/t)$.

We focus on the task of learning a single index model $\sigma(w^\star \cdot x)$ with respect to the isotropic Gaussian distribution in $d$ dimensions. Prior work has shown that the sample complexity of learning $w^\star$ is governed by the information exponent $k^\star$ of the link function $\sigma$, which is defined as the index of the first nonzero Hermite coefficient of $\sigma$. Ben Arous et al. (2021) showed that $n \gtrsim d^{k^\star-1}$ samples suffice for learning $w^\star$ and that this is tight for online SGD. However, the CSQ lower bound for gradient based methods only shows that $n \gtrsim d^{k^\star/2}$ samples are necessary. In this work, we close the gap between the upper and lower bounds by showing that online SGD on a smoothed loss learns $w^\star$ with $n \gtrsim d^{k^\star/2}$ samples. We also draw connections to statistical analyses of tensor PCA and to the implicit regularization effects of minibatch SGD on empirical losses.