Daily Papers

Masked diffusion models (MDM) are powerful generative models for discrete data that generate samples by progressively unmasking tokens in a sequence. Each token can take one of two states: masked or unmasked. We observe that token sequences often remain unchanged between consecutive sampling steps; consequently, the model repeatedly processes identical inputs, leading to redundant computation. To address this inefficiency, we propose the Partial masking scheme (Prime), which augments MDM by allowing tokens to take intermediate states interpolated between the masked and unmasked states. This design enables the model to make predictions based on partially observed token information, and facilitates a fine-grained denoising process. We derive a variational training objective and introduce a simple architectural design to accommodate intermediate-state inputs. Our method demonstrates superior performance across a diverse set of generative modeling tasks. On text data, it achieves a perplexity of 15.36 on OpenWebText, outperforming previous MDM (21.52), autoregressive models (17.54), and their hybrid variants (17.58), without relying on an autoregressive formulation. On image data, it attains competitive FID scores of 3.26 on CIFAR-10 and 6.98 on ImageNet-32, comparable to leading continuous generative models.

A key advance in learning generative models is the use of amortized inference distributions that are jointly trained with the models. We find that existing training objectives for variational autoencoders can lead to inaccurate amortized inference distributions and, in some cases, improving the objective provably degrades the inference quality. In addition, it has been observed that variational autoencoders tend to ignore the latent variables when combined with a decoding distribution that is too flexible. We again identify the cause in existing training criteria and propose a new class of objectives (InfoVAE) that mitigate these problems. We show that our model can significantly improve the quality of the variational posterior and can make effective use of the latent features regardless of the flexibility of the decoding distribution. Through extensive qualitative and quantitative analyses, we demonstrate that our models outperform competing approaches on multiple performance metrics.

Variational autoencoders (VAEs) are one of the powerful unsupervised learning frameworks in NLP for latent representation learning and latent-directed generation. The classic optimization goal of VAEs is to maximize the Evidence Lower Bound (ELBo), which consists of a conditional likelihood for generation and a negative Kullback-Leibler (KL) divergence for regularization. In practice, optimizing ELBo often leads the posterior distribution of all samples converge to the same degenerated local optimum, namely posterior collapse or KL vanishing. There are effective ways proposed to prevent posterior collapse in VAEs, but we observe that they in essence make trade-offs between posterior collapse and hole problem, i.e., mismatch between the aggregated posterior distribution and the prior distribution. To this end, we introduce new training objectives to tackle both two problems through a novel regularization based on the probabilistic density gap between the aggregated posterior distribution and the prior distribution. Through experiments on language modeling, latent space visualization and interpolation, we show that our proposed method can solve both problems effectively and thus outperforms the existing methods in latent-directed generation. To the best of our knowledge, we are the first to jointly solve the hole problem and the posterior collapse.

We propose a probabilistic shape completion method extended to the continuous geometry of large-scale 3D scenes. Real-world scans of 3D scenes suffer from a considerable amount of missing data cluttered with unsegmented objects. The problem of shape completion is inherently ill-posed, and high-quality result requires scalable solutions that consider multiple possible outcomes. We employ the Generative Cellular Automata that learns the multi-modal distribution and transform the formulation to process large-scale continuous geometry. The local continuous shape is incrementally generated as a sparse voxel embedding, which contains the latent code for each occupied cell. We formally derive that our training objective for the sparse voxel embedding maximizes the variational lower bound of the complete shape distribution and therefore our progressive generation constitutes a valid generative model. Experiments show that our model successfully generates diverse plausible scenes faithful to the input, especially when the input suffers from a significant amount of missing data. We also demonstrate that our approach outperforms deterministic models even in less ambiguous cases with a small amount of missing data, which infers that probabilistic formulation is crucial for high-quality geometry completion on input scans exhibiting any levels of completeness.

When training large flexible models, practitioners often rely on grid search to select hyperparameters that control over-fitting. This grid search has several disadvantages: the search is computationally expensive, requires carving out a validation set that reduces the available data for training, and requires users to specify candidate values. In this paper, we propose an alternative: directly learning regularization hyperparameters on the full training set via the evidence lower bound ("ELBo") objective from variational methods. For deep neural networks with millions of parameters, we recommend a modified ELBo that upweights the influence of the data likelihood relative to the prior. Our proposed technique overcomes all three disadvantages of grid search. In a case study on transfer learning of image classifiers, we show how our method reduces the 88+ hour grid search of past work to under 3 hours while delivering comparable accuracy. We further demonstrate how our approach enables efficient yet accurate approximations of Gaussian processes with learnable length-scale kernels.

Diffusion probabilistic models (DPMs) have become a popular approach to conditional generation, due to their promising results and support for cross-modal synthesis. A key desideratum in conditional synthesis is to achieve high correspondence between the conditioning input and generated output. Most existing methods learn such relationships implicitly, by incorporating the prior into the variational lower bound. In this work, we take a different route -- we explicitly enhance input-output connections by maximizing their mutual information. To this end, we introduce a Conditional Discrete Contrastive Diffusion (CDCD) loss and design two contrastive diffusion mechanisms to effectively incorporate it into the denoising process, combining the diffusion training and contrastive learning for the first time by connecting it with the conventional variational objectives. We demonstrate the efficacy of our approach in evaluations with diverse multimodal conditional synthesis tasks: dance-to-music generation, text-to-image synthesis, as well as class-conditioned image synthesis. On each, we enhance the input-output correspondence and achieve higher or competitive general synthesis quality. Furthermore, the proposed approach improves the convergence of diffusion models, reducing the number of required diffusion steps by more than 35% on two benchmarks, significantly increasing the inference speed.

Machine learning systems often experience a distribution shift between training and testing. In this paper, we introduce a simple variational objective whose optima are exactly the set of all representations on which risk minimizers are guaranteed to be robust to any distribution shift that preserves the Bayes predictor, e.g., covariate shifts. Our objective has two components. First, a representation must remain discriminative for the task, i.e., some predictor must be able to simultaneously minimize the source and target risk. Second, the representation's marginal support needs to be the same across source and target. We make this practical by designing self-supervised objectives that only use unlabelled data and augmentations to train robust representations. Our objectives give insights into the robustness of CLIP, and further improve CLIP's representations to achieve SOTA results on DomainBed.

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

Recent methods for knowledge grounded dialogs generate responses by incorporating information from an external textual document. These methods do not require the exact document to be known during training and rely on the use of a retrieval system to fetch relevant documents from a large index. The documents used to generate the responses are modeled as latent variables whose prior probabilities need to be estimated. Models such as RAG and REALM, marginalize the document probabilities over the documents retrieved from the index to define the log likelihood loss function which is optimized end-to-end. In this paper, we develop a variational approach to the above technique wherein, we instead maximize the Evidence Lower bound (ELBO). Using a collection of three publicly available open-conversation datasets, we demonstrate how the posterior distribution, that has information from the ground-truth response, allows for a better approximation of the objective function during training. To overcome the challenges associated with sampling over a large knowledge collection, we develop an efficient approach to approximate the ELBO. To the best of our knowledge we are the first to apply variational training for open-scale unsupervised knowledge grounded dialog systems.

Learning-based outlier (mismatched correspondence) rejection for robust 3D registration generally formulates the outlier removal as an inlier/outlier classification problem. The core for this to be successful is to learn the discriminative inlier/outlier feature representations. In this paper, we develop a novel variational non-local network-based outlier rejection framework for robust alignment. By reformulating the non-local feature learning with variational Bayesian inference, the Bayesian-driven long-range dependencies can be modeled to aggregate discriminative geometric context information for inlier/outlier distinction. Specifically, to achieve such Bayesian-driven contextual dependencies, each query/key/value component in our non-local network predicts a prior feature distribution and a posterior one. Embedded with the inlier/outlier label, the posterior feature distribution is label-dependent and discriminative. Thus, pushing the prior to be close to the discriminative posterior in the training step enables the features sampled from this prior at test time to model high-quality long-range dependencies. Notably, to achieve effective posterior feature guidance, a specific probabilistic graphical model is designed over our non-local model, which lets us derive a variational low bound as our optimization objective for model training. Finally, we propose a voting-based inlier searching strategy to cluster the high-quality hypothetical inliers for transformation estimation. Extensive experiments on 3DMatch, 3DLoMatch, and KITTI datasets verify the effectiveness of our method.

We decompose the evidence lower bound to show the existence of a term measuring the total correlation between latent variables. We use this to motivate our beta-TCVAE (Total Correlation Variational Autoencoder), a refinement of the state-of-the-art beta-VAE objective for learning disentangled representations, requiring no additional hyperparameters during training. We further propose a principled classifier-free measure of disentanglement called the mutual information gap (MIG). We perform extensive quantitative and qualitative experiments, in both restricted and non-restricted settings, and show a strong relation between total correlation and disentanglement, when the latent variables model is trained using our framework.

High-resolution image synthesis remains a core challenge in generative modeling, particularly in balancing computational efficiency with the preservation of fine-grained visual detail. We present Latent Wavelet Diffusion (LWD), a lightweight framework that enables any latent diffusion model to scale to ultra-high-resolution image generation (2K to 4K) for free. LWD introduces three key components: (1) a scale-consistent variational autoencoder objective that enhances the spectral fidelity of latent representations; (2) wavelet energy maps that identify and localize detail-rich spatial regions within the latent space; and (3) a time-dependent masking strategy that focuses denoising supervision on high-frequency components during training. LWD requires no architectural modifications and incurs no additional computational overhead. Despite its simplicity, it consistently improves perceptual quality and reduces FID in ultra-high-resolution image synthesis, outperforming strong baseline models. These results highlight the effectiveness of frequency-aware, signal-driven supervision as a principled and efficient approach for high-resolution generative modeling.

Meta-learning algorithms are able to learn a new task using previously learned knowledge, but they often require a large number of meta-training tasks which may not be readily available. To address this issue, we propose a method for few-shot learning with fewer tasks, which we call MetaModulation. The key idea is to use a neural network to increase the density of the meta-training tasks by modulating batch normalization parameters during meta-training. Additionally, we modify parameters at various network levels, rather than just a single layer, to increase task diversity. To account for the uncertainty caused by the limited training tasks, we propose a variational MetaModulation where the modulation parameters are treated as latent variables. We also introduce learning variational feature hierarchies by the variational MetaModulation, which modulates features at all layers and can consider task uncertainty and generate more diverse tasks. The ablation studies illustrate the advantages of utilizing a learnable task modulation at different levels and demonstrate the benefit of incorporating probabilistic variants in few-task meta-learning. Our MetaModulation and its variational variants consistently outperform state-of-the-art alternatives on four few-task meta-learning benchmarks.

Compared to the wide array of advanced Monte Carlo methods supported by modern probabilistic programming languages (PPLs), PPL support for variational inference (VI) is less developed: users are typically limited to a predefined selection of variational objectives and gradient estimators, which are implemented monolithically (and without formal correctness arguments) in PPL backends. In this paper, we propose a more modular approach to supporting variational inference in PPLs, based on compositional program transformation. In our approach, variational objectives are expressed as programs, that may employ first-class constructs for computing densities of and expected values under user-defined models and variational families. We then transform these programs systematically into unbiased gradient estimators for optimizing the objectives they define. Our design enables modular reasoning about many interacting concerns, including automatic differentiation, density accumulation, tracing, and the application of unbiased gradient estimation strategies. Additionally, relative to existing support for VI in PPLs, our design increases expressiveness along three axes: (1) it supports an open-ended set of user-defined variational objectives, rather than a fixed menu of options; (2) it supports a combinatorial space of gradient estimation strategies, many not automated by today's PPLs; and (3) it supports a broader class of models and variational families, because it supports constructs for approximate marginalization and normalization (previously introduced only for Monte Carlo inference). We implement our approach in an extension to the Gen probabilistic programming system (genjax.vi, implemented in JAX), and evaluate on several deep generative modeling tasks, showing minimal performance overhead vs. hand-coded implementations and performance competitive with well-established open-source PPLs.

Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

In multi-goal Reinforcement Learning, an agent can share experience between related training tasks, resulting in better generalization for new tasks at test time. However, when the goal space has discontinuities and the reward is sparse, a majority of goals are difficult to reach. In this context, a curriculum over goals helps agents learn by adapting training tasks to their current capabilities. In this work we propose Stein Variational Goal Generation (SVGG), which samples goals of intermediate difficulty for the agent, by leveraging a learned predictive model of its goal reaching capabilities. The distribution of goals is modeled with particles that are attracted in areas of appropriate difficulty using Stein Variational Gradient Descent. We show that SVGG outperforms state-of-the-art multi-goal Reinforcement Learning methods in terms of success coverage in hard exploration problems, and demonstrate that it is endowed with a useful recovery property when the environment changes.

We give extensive empirical evidence against the common belief that variational learning is ineffective for large neural networks. We show that an optimizer called Improved Variational Online Newton (IVON) consistently matches or outperforms Adam for training large networks such as GPT-2 and ResNets from scratch. IVON's computational costs are nearly identical to Adam but its predictive uncertainty is better. We show several new use cases of IVON where we improve finetuning and model merging in Large Language Models, accurately predict generalization error, and faithfully estimate sensitivity to data. We find overwhelming evidence that variational learning is effective.

The variational autoencoder (VAE; Kingma, Welling (2014)) is a recently proposed generative model pairing a top-down generative network with a bottom-up recognition network which approximates posterior inference. It typically makes strong assumptions about posterior inference, for instance that the posterior distribution is approximately factorial, and that its parameters can be approximated with nonlinear regression from the observations. As we show empirically, the VAE objective can lead to overly simplified representations which fail to use the network's entire modeling capacity. We present the importance weighted autoencoder (IWAE), a generative model with the same architecture as the VAE, but which uses a strictly tighter log-likelihood lower bound derived from importance weighting. In the IWAE, the recognition network uses multiple samples to approximate the posterior, giving it increased flexibility to model complex posteriors which do not fit the VAE modeling assumptions. We show empirically that IWAEs learn richer latent space representations than VAEs, leading to improved test log-likelihood on density estimation benchmarks.

Generative Flow Networks or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a sequence of steps), generative models (as they learn to represent and sample from a distribution) and amortized variational methods (as they can be used to learn to approximate and sample from an otherwise intractable posterior, given a prior and a likelihood). They are trained to generate an object x through a sequence of steps with probability proportional to some reward function R(x) (or exp(-E(x)) with E(x) denoting the energy function), given at the end of the generative trajectory. Like for other RL settings where the reward is only given at the end, the efficiency of training and credit assignment may suffer when those trajectories are longer. With previous GFlowNet work, no learning was possible from incomplete trajectories (lacking a terminal state and the computation of the associated reward). In this paper, we consider the case where the energy function can be applied not just to terminal states but also to intermediate states. This is for example achieved when the energy function is additive, with terms available along the trajectory. We show how to reparameterize the GFlowNet state flow function to take advantage of the partial reward already accrued at each state. This enables a training objective that can be applied to update parameters even with incomplete trajectories. Even when complete trajectories are available, being able to obtain more localized credit and gradients is found to speed up training convergence, as demonstrated across many simulations.

Diffusion models have shown incredible capabilities as generative models; indeed, they power the current state-of-the-art models on text-conditioned image generation such as Imagen and DALL-E 2. In this work we review, demystify, and unify the understanding of diffusion models across both variational and score-based perspectives. We first derive Variational Diffusion Models (VDM) as a special case of a Markovian Hierarchical Variational Autoencoder, where three key assumptions enable tractable computation and scalable optimization of the ELBO. We then prove that optimizing a VDM boils down to learning a neural network to predict one of three potential objectives: the original source input from any arbitrary noisification of it, the original source noise from any arbitrarily noisified input, or the score function of a noisified input at any arbitrary noise level. We then dive deeper into what it means to learn the score function, and connect the variational perspective of a diffusion model explicitly with the Score-based Generative Modeling perspective through Tweedie's Formula. Lastly, we cover how to learn a conditional distribution using diffusion models via guidance.

Recent years have seen considerable progress in the continual training of deep neural networks, predominantly thanks to approaches that add replay or regularization terms to the loss function to approximate the joint loss over all tasks so far. However, we show that even with a perfect approximation to the joint loss, these approaches still suffer from temporary but substantial forgetting when starting to train on a new task. Motivated by this 'stability gap', we propose that continual learning strategies should focus not only on the optimization objective, but also on the way this objective is optimized. While there is some continual learning work that alters the optimization trajectory (e.g., using gradient projection techniques), this line of research is positioned as alternative to improving the optimization objective, while we argue it should be complementary. To evaluate the merits of our proposition, we plan to combine replay-approximated joint objectives with gradient projection-based optimization routines to test whether the addition of the latter provides benefits in terms of (1) alleviating the stability gap, (2) increasing the learning efficiency and (3) improving the final learning outcome.

How can we perform efficient inference and learning in directed probabilistic models, in the presence of continuous latent variables with intractable posterior distributions, and large datasets? We introduce a stochastic variational inference and learning algorithm that scales to large datasets and, under some mild differentiability conditions, even works in the intractable case. Our contributions are two-fold. First, we show that a reparameterization of the variational lower bound yields a lower bound estimator that can be straightforwardly optimized using standard stochastic gradient methods. Second, we show that for i.i.d. datasets with continuous latent variables per datapoint, posterior inference can be made especially efficient by fitting an approximate inference model (also called a recognition model) to the intractable posterior using the proposed lower bound estimator. Theoretical advantages are reflected in experimental results.

The variational autoencoder (VAE) framework is a popular option for training unsupervised generative models, featuring ease of training and latent representation of data. The objective function of VAE does not guarantee to achieve the latter, however, and failure to do so leads to a frequent failure mode called posterior collapse. Even in successful cases, VAEs often result in low-precision reconstructions and generated samples. The introduction of the KL-divergence weight beta can help steer the model clear of posterior collapse, but its tuning is often a trial-and-error process with no guiding metrics. Here we test the idea of using the total VAE loss of generated samples (generated loss) as the proxy metric for generation quality, the related hypothesis that VAE reconstruction from the mean latent vector tends to be a more typical example of its class than the original, and the idea of exploiting this property by augmenting training data with generated variants (augmented training). The results are mixed, but repeated encoding and decoding indeed result in qualitatively and quantitatively more typical examples from both convolutional and fully-connected MNIST VAEs, suggesting that it may be an inherent property of the VAE framework.

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied data distribution are expected to adhere to specific governing equations. We present a framework that unifies generative modeling and partial differential equation fulfillment by introducing a first-principle-based loss term that enforces generated samples to fulfill the underlying physical constraints. Our approach reduces the residual error by up to two orders of magnitude compared to previous work in a fluid flow case study and outperforms task-specific frameworks in relevant metrics for structural topology optimization. We also present numerical evidence that our extended training objective acts as a natural regularization mechanism against overfitting. Our framework is simple to implement and versatile in its applicability for imposing equality and inequality constraints as well as auxiliary optimization objectives.

We investigate the challenge of parametrizing policies for reinforcement learning (RL) in high-dimensional continuous action spaces. Our objective is to develop a multimodal policy that overcomes limitations inherent in the commonly-used Gaussian parameterization. To achieve this, we propose a principled framework that models the continuous RL policy as a generative model of optimal trajectories. By conditioning the policy on a latent variable, we derive a novel variational bound as the optimization objective, which promotes exploration of the environment. We then present a practical model-based RL method, called Reparameterized Policy Gradient (RPG), which leverages the multimodal policy parameterization and learned world model to achieve strong exploration capabilities and high data efficiency. Empirical results demonstrate that our method can help agents evade local optima in tasks with dense rewards and solve challenging sparse-reward environments by incorporating an object-centric intrinsic reward. Our method consistently outperforms previous approaches across a range of tasks. Code and supplementary materials are available on the project page https://haosulab.github.io/RPG/

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.

Masked (or absorbing) diffusion is actively explored as an alternative to autoregressive models for generative modeling of discrete data. However, existing work in this area has been hindered by unnecessarily complex model formulations and unclear relationships between different perspectives, leading to suboptimal parameterization, training objectives, and ad hoc adjustments to counteract these issues. In this work, we aim to provide a simple and general framework that unlocks the full potential of masked diffusion models. We show that the continuous-time variational objective of masked diffusion models is a simple weighted integral of cross-entropy losses. Our framework also enables training generalized masked diffusion models with state-dependent masking schedules. When evaluated by perplexity, our models trained on OpenWebText surpass prior diffusion language models at GPT-2 scale and demonstrate superior performance on 4 out of 5 zero-shot language modeling tasks. Furthermore, our models vastly outperform previous discrete diffusion models on pixel-level image modeling, achieving 2.78~(CIFAR-10) and 3.42 (ImageNet 64times64) bits per dimension that are comparable or better than autoregressive models of similar sizes.

An obstacle to artificial general intelligence is set by continual learning of multiple tasks of different nature. Recently, various heuristic tricks, both from machine learning and from neuroscience angles, were proposed, but they lack a unified theory ground. Here, we focus on continual learning in single-layered and multi-layered neural networks of binary weights. A variational Bayesian learning setting is thus proposed, where the neural networks are trained in a field-space, rather than gradient-ill-defined discrete-weight space, and furthermore, weight uncertainty is naturally incorporated, and modulates synaptic resources among tasks. From a physics perspective, we translate the variational continual learning into Franz-Parisi thermodynamic potential framework, where previous task knowledge acts as a prior and a reference as well. We thus interpret the continual learning of the binary perceptron in a teacher-student setting as a Franz-Parisi potential computation. The learning performance can then be analytically studied with mean-field order parameters, whose predictions coincide with numerical experiments using stochastic gradient descent methods. Based on the variational principle and Gaussian field approximation of internal preactivations in hidden layers, we also derive the learning algorithm considering weight uncertainty, which solves the continual learning with binary weights using multi-layered neural networks, and performs better than the currently available metaplasticity algorithm. Our proposed principled frameworks also connect to elastic weight consolidation, weight-uncertainty modulated learning, and neuroscience inspired metaplasticity, providing a theory-grounded method for the real-world multi-task learning with deep networks.

Many optimization problems are inherently multi-objective. To address them, we formalize Jacobian descent (JD), a direct generalization of gradient descent for vector-valued functions. Each step of this algorithm relies on a Jacobian matrix consisting of one gradient per objective. The aggregator, responsible for reducing this matrix into an update vector, characterizes JD. While the multi-task learning literature already contains a variety of aggregators, they often lack some natural properties. In particular, the update should not conflict with any objective and should scale proportionally to the norm of each gradient. We propose a new aggregator specifically designed to satisfy this. Emphasizing conflict between objectives, we then highlight direct applications for our methods. Most notably, we introduce instance-wise risk minimization (IWRM), a learning paradigm in which the loss of each training example is considered a separate objective. On simple image classification tasks, IWRM exhibits promising results compared to the direct minimization of the average loss. The performance of our aggregator in those experiments also corroborates our theoretical findings. Lastly, as speed is the main limitation of JD, we provide a path towards a more efficient implementation.

Distributed and federated learning algorithms and techniques associated primarily with minimization problems. However, with the increase of minimax optimization and variational inequality problems in machine learning, the necessity of designing efficient distributed/federated learning approaches for these problems is becoming more apparent. In this paper, we provide a unified convergence analysis of communication-efficient local training methods for distributed variational inequality problems (VIPs). Our approach is based on a general key assumption on the stochastic estimates that allows us to propose and analyze several novel local training algorithms under a single framework for solving a class of structured non-monotone VIPs. We present the first local gradient descent-accent algorithms with provable improved communication complexity for solving distributed variational inequalities on heterogeneous data. The general algorithmic framework recovers state-of-the-art algorithms and their sharp convergence guarantees when the setting is specialized to minimization or minimax optimization problems. Finally, we demonstrate the strong performance of the proposed algorithms compared to state-of-the-art methods when solving federated minimax optimization problems.

Variational Autoencoders (VAEs) remain a cornerstone of generative computer vision, yet their training is often plagued by artifacts that degrade reconstruction and generation quality. This paper introduces VIVAT, a systematic approach to mitigating common artifacts in KL-VAE training without requiring radical architectural changes. We present a detailed taxonomy of five prevalent artifacts - color shift, grid patterns, blur, corner and droplet artifacts - and analyze their root causes. Through straightforward modifications, including adjustments to loss weights, padding strategies, and the integration of Spatially Conditional Normalization, we demonstrate significant improvements in VAE performance. Our method achieves state-of-the-art results in image reconstruction metrics (PSNR and SSIM) across multiple benchmarks and enhances text-to-image generation quality, as evidenced by superior CLIP scores. By preserving the simplicity of the KL-VAE framework while addressing its practical challenges, VIVAT offers actionable insights for researchers and practitioners aiming to optimize VAE training.

This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differently during evaluation. Moreover, prediction errors during backpropagation, rather than external inputs during the forward computation, are used to convey information to the network about the external data. For testing, we introduce error regression for predicting unseen sequences as inspired by predictive coding that leverages those mechanisms. The model introduces a weighting parameter, the meta-prior, to balance the optimization pressure placed on two terms of a lower bound on the marginal likelihood of the sequential data. We test the model on two datasets with probabilistic structures and show that with high values of the meta-prior the network develops deterministic chaos through which the data's randomness is imitated. For low values, the model behaves as a random process. The network performs best on intermediate values, and is able to capture the latent probabilistic structure with good generalization. Analyzing the meta-prior's impact on the network allows to precisely study the theoretical value and practical benefits of incorporating stochastic dynamics in our model. We demonstrate better prediction performance on a robot imitation task with our model using error regression compared to a standard variational Bayes model lacking such a procedure.

In discriminative settings such as regression and classification there are two random variables at play, the inputs X and the targets Y. Here, we demonstrate that the Variational Information Bottleneck can be viewed as a compromise between fully empirical and fully Bayesian objectives, attempting to minimize the risks due to finite sampling of Y only. We argue that this approach provides some of the benefits of Bayes while requiring only some of the work.

Machine unlearning aims to remove information derived from forgotten data while preserving that of the remaining dataset in a well-trained model. With the increasing emphasis on data privacy, several approaches to machine unlearning have emerged. However, these methods typically rely on complete supervision throughout the unlearning process. Unfortunately, obtaining such supervision, whether for the forgetting or remaining data, can be impractical due to the substantial cost associated with annotating real-world datasets. This challenge prompts us to propose a supervision-free unlearning approach that operates without the need for labels during the unlearning process. Specifically, we introduce a variational approach to approximate the distribution of representations for the remaining data. Leveraging this approximation, we adapt the original model to eliminate information from the forgotten data at the representation level. To further address the issue of lacking supervision information, which hinders alignment with ground truth, we introduce a contrastive loss to facilitate the matching of representations between the remaining data and those of the original model, thus preserving predictive performance. Experimental results across various unlearning tasks demonstrate the effectiveness of our proposed method, Label-Agnostic Forgetting (LAF) without using any labels, which achieves comparable performance to state-of-the-art methods that rely on full supervision information. Furthermore, our approach excels in semi-supervised scenarios, leveraging limited supervision information to outperform fully supervised baselines. This work not only showcases the viability of supervision-free unlearning in deep models but also opens up a new possibility for future research in unlearning at the representation level.

This paper proposes a new type of generative model that is able to quickly learn a latent representation without an encoder. This is achieved using empirical Bayes to calculate the expectation of the posterior, which is implemented by initialising a latent vector with zeros, then using the gradient of the log-likelihood of the data with respect to this zero vector as new latent points. The approach has similar characteristics to autoencoders, but with a simpler architecture, and is demonstrated in a variational autoencoder equivalent that permits sampling. This also allows implicit representation networks to learn a space of implicit functions without requiring a hypernetwork, retaining their representation advantages across datasets. The experiments show that the proposed method converges faster, with significantly lower reconstruction error than autoencoders, while requiring half the parameters.

Beyond minimizing a single training loss, many deep learning estimation pipelines rely on an auxiliary objective to quantify and encourage desirable properties of the model (e.g. performance on another dataset, robustness, agreement with a prior). Although the simplest approach to incorporating an auxiliary loss is to sum it with the training loss as a regularizer, recent works have shown that one can improve performance by blending the gradients beyond a simple sum; this is known as gradient surgery. We cast the problem as a constrained minimization problem where the auxiliary objective is minimized among the set of minimizers of the training loss. To solve this bilevel problem, we follow a parameter update direction that combines the training loss gradient and the orthogonal projection of the auxiliary gradient to the training gradient. In a setting where gradients come from mini-batches, we explain how, using a moving average of the training loss gradients, we can carefully maintain this critical orthogonality property. We demonstrate that our method, Bloop, can lead to much better performances on NLP and vision experiments than other gradient surgery methods without EMA.

One-class learning is the classic problem of fitting a model to data for which annotations are available only for a single class. In this paper, we propose a novel objective for one-class learning. Our key idea is to use a pair of orthonormal frames -- as subspaces -- to "sandwich" the labeled data via optimizing for two objectives jointly: i) minimize the distance between the origins of the two subspaces, and ii) to maximize the margin between the hyperplanes and the data, either subspace demanding the data to be in its positive and negative orthant respectively. Our proposed objective however leads to a non-convex optimization problem, to which we resort to Riemannian optimization schemes and derive an efficient conjugate gradient scheme on the Stiefel manifold. To study the effectiveness of our scheme, we propose a new dataset~Dash-Cam-Pose, consisting of clips with skeleton poses of humans seated in a car, the task being to classify the clips as normal or abnormal; the latter is when any human pose is out-of-position with regard to say an airbag deployment. Our experiments on the proposed Dash-Cam-Pose dataset, as well as several other standard anomaly/novelty detection benchmarks demonstrate the benefits of our scheme, achieving state-of-the-art one-class accuracy.

Variational autoencoders (VAEs) are one of the deep generative models that have experienced enormous success over the past decades. However, in practice, they suffer from a problem called posterior collapse, which occurs when the encoder coincides, or collapses, with the prior taking no information from the latent structure of the input data into consideration. In this work, we introduce an inverse Lipschitz neural network into the decoder and, based on this architecture, provide a new method that can control in a simple and clear manner the degree of posterior collapse for a wide range of VAE models equipped with a concrete theoretical guarantee. We also illustrate the effectiveness of our method through several numerical experiments.

Variational Autoencoders (VAEs) have become a cornerstone in generative modeling and representation learning within machine learning. This paper explores a nuanced aspect of VAEs, focusing on interpreting the Kullback-Leibler (KL) Divergence, a critical component within the Evidence Lower Bound (ELBO) that governs the trade-off between reconstruction accuracy and regularization. Meanwhile, the KL Divergence enforces alignment between latent variable distributions and a prior imposing a structure on the overall latent space but leaves individual variable distributions unconstrained. The proposed method redefines the ELBO with a mixture of Gaussians for the posterior probability, introduces a regularization term to prevent variance collapse, and employs a PatchGAN discriminator to enhance texture realism. Implementation details involve ResNetV2 architectures for both the Encoder and Decoder. The experiments demonstrate the ability to generate realistic faces, offering a promising solution for enhancing VAE-based generative models.

Variational approaches based on neural networks are showing promise for estimating mutual information (MI) between high dimensional variables. However, they can be difficult to use in practice due to poorly understood bias/variance tradeoffs. We theoretically show that, under some conditions, estimators such as MINE exhibit variance that could grow exponentially with the true amount of underlying MI. We also empirically demonstrate that existing estimators fail to satisfy basic self-consistency properties of MI, such as data processing and additivity under independence. Based on a unified perspective of variational approaches, we develop a new estimator that focuses on variance reduction. Empirical results on standard benchmark tasks demonstrate that our proposed estimator exhibits improved bias-variance trade-offs on standard benchmark tasks.

We introduce a deterministic variational formulation for training Bayesian last layer neural networks. This yields a sampling-free, single-pass model and loss that effectively improves uncertainty estimation. Our variational Bayesian last layer (VBLL) can be trained and evaluated with only quadratic complexity in last layer width, and is thus (nearly) computationally free to add to standard architectures. We experimentally investigate VBLLs, and show that they improve predictive accuracy, calibration, and out of distribution detection over baselines across both regression and classification. Finally, we investigate combining VBLL layers with variational Bayesian feature learning, yielding a lower variance collapsed variational inference method for Bayesian neural networks.

Variational AutoEncoders (VAEs) are powerful generative models that merge elements from statistics and information theory with the flexibility offered by deep neural networks to efficiently solve the generation problem for high dimensional data. The key insight of VAEs is to learn the latent distribution of data in such a way that new meaningful samples can be generated from it. This approach led to tremendous research and variations in the architectural design of VAEs, nourishing the recent field of research known as unsupervised representation learning. In this article, we provide a comparative evaluation of some of the most successful, recent variations of VAEs. We particularly focus the analysis on the energetic efficiency of the different models, in the spirit of the so called Green AI, aiming both to reduce the carbon footprint and the financial cost of generative techniques. For each architecture we provide its mathematical formulation, the ideas underlying its design, a detailed model description, a running implementation and quantitative results.

Given the variety of the visual world there is not one true scale for recognition: objects may appear at drastically different sizes across the visual field. Rather than enumerate variations across filter channels or pyramid levels, dynamic models locally predict scale and adapt receptive fields accordingly. The degree of variation and diversity of inputs makes this a difficult task. Existing methods either learn a feedforward predictor, which is not itself totally immune to the scale variation it is meant to counter, or select scales by a fixed algorithm, which cannot learn from the given task and data. We extend dynamic scale inference from feedforward prediction to iterative optimization for further adaptivity. We propose a novel entropy minimization objective for inference and optimize over task and structure parameters to tune the model to each input. Optimization during inference improves semantic segmentation accuracy and generalizes better to extreme scale variations that cause feedforward dynamic inference to falter.

Variational inference (VI) seeks to approximate a target distribution pi by an element of a tractable family of distributions. Of key interest in statistics and machine learning is Gaussian VI, which approximates pi by minimizing the Kullback-Leibler (KL) divergence to pi over the space of Gaussians. In this work, we develop the (Stochastic) Forward-Backward Gaussian Variational Inference (FB-GVI) algorithm to solve Gaussian VI. Our approach exploits the composite structure of the KL divergence, which can be written as the sum of a smooth term (the potential) and a non-smooth term (the entropy) over the Bures-Wasserstein (BW) space of Gaussians endowed with the Wasserstein distance. For our proposed algorithm, we obtain state-of-the-art convergence guarantees when pi is log-smooth and log-concave, as well as the first convergence guarantees to first-order stationary solutions when pi is only log-smooth.

Variational inequalities in general and saddle point problems in particular are increasingly relevant in machine learning applications, including adversarial learning, GANs, transport and robust optimization. With increasing data and problem sizes necessary to train high performing models across various applications, we need to rely on parallel and distributed computing. However, in distributed training, communication among the compute nodes is a key bottleneck during training, and this problem is exacerbated for high dimensional and over-parameterized models. Due to these considerations, it is important to equip existing methods with strategies that would allow to reduce the volume of transmitted information during training while obtaining a model of comparable quality. In this paper, we present the first theoretically grounded distributed methods for solving variational inequalities and saddle point problems using compressed communication: MASHA1 and MASHA2. Our theory and methods allow for the use of both unbiased (such as Randk; MASHA1) and contractive (such as Topk; MASHA2) compressors. New algorithms support bidirectional compressions, and also can be modified for stochastic setting with batches and for federated learning with partial participation of clients. We empirically validated our conclusions using two experimental setups: a standard bilinear min-max problem, and large-scale distributed adversarial training of transformers.

Imitation learning uses data for training policies to solve complex tasks. However, when the training data is collected from human demonstrators, it often leads to multimodal distributions because of the variability in human actions. Most imitation learning methods rely on a maximum likelihood (ML) objective to learn a parameterized policy, but this can result in suboptimal or unsafe behavior due to the mode-averaging property of the ML objective. In this work, we propose Information Maximizing Curriculum, a curriculum-based approach that assigns a weight to each data point and encourages the model to specialize in the data it can represent, effectively mitigating the mode-averaging problem by allowing the model to ignore data from modes it cannot represent. To cover all modes and thus, enable diverse behavior, we extend our approach to a mixture of experts (MoE) policy, where each mixture component selects its own subset of the training data for learning. A novel, maximum entropy-based objective is proposed to achieve full coverage of the dataset, thereby enabling the policy to encompass all modes within the data distribution. We demonstrate the effectiveness of our approach on complex simulated control tasks using diverse human demonstrations, achieving superior performance compared to state-of-the-art methods.

We propose a method for jointly inferring labels across a collection of data samples, where each sample consists of an observation and a prior belief about the label. By implicitly assuming the existence of a generative model for which a differentiable predictor is the posterior, we derive a training objective that allows learning under weak beliefs. This formulation unifies various machine learning settings; the weak beliefs can come in the form of noisy or incomplete labels, likelihoods given by a different prediction mechanism on auxiliary input, or common-sense priors reflecting knowledge about the structure of the problem at hand. We demonstrate the proposed algorithms on diverse problems: classification with negative training examples, learning from rankings, weakly and self-supervised aerial imagery segmentation, co-segmentation of video frames, and coarsely supervised text classification.

The variational autoencoder (VAE) framework remains a popular option for training unsupervised generative models, especially for discrete data where generative adversarial networks (GANs) require workaround to create gradient for the generator. In our work modeling US postal addresses, we show that our discrete VAE with tree recursive architecture demonstrates limited capability of capturing field correlations within structured data, even after overcoming the challenge of posterior collapse with scheduled sampling and tuning of the KL-divergence weight beta. Worse, VAE seems to have difficulty mapping its generated samples to the latent space, as their VAE loss lags behind or even increases during the training process. Motivated by this observation, we show that augmenting training data with generated variants (augmented training) and training a VAE with multiple values of beta simultaneously (multiscale VAE) both improve the generation quality of VAE. Despite their differences in motivation and emphasis, we show that augmented training and multiscale VAE are actually connected and have similar effects on the model.

Foundational image-language models have generated considerable interest due to their efficient adaptation to downstream tasks by prompt learning. Prompt learning treats part of the language model input as trainable while freezing the rest, and optimizes an Empirical Risk Minimization objective. However, Empirical Risk Minimization is known to suffer from distributional shifts which hurt generalizability to prompts unseen during training. By leveraging the regularization ability of Bayesian methods, we frame prompt learning from the Bayesian perspective and formulate it as a variational inference problem. Our approach regularizes the prompt space, reduces overfitting to the seen prompts and improves the prompt generalization on unseen prompts. Our framework is implemented by modeling the input prompt space in a probabilistic manner, as an a priori distribution which makes our proposal compatible with prompt learning approaches that are unconditional or conditional on the image. We demonstrate empirically on 15 benchmarks that Bayesian prompt learning provides an appropriate coverage of the prompt space, prevents learning spurious features, and exploits transferable invariant features. This results in better generalization of unseen prompts, even across different datasets and domains. Code available at: https://github.com/saic-fi/Bayesian-Prompt-Learning

Flow-based latent generative models such as Stable Diffusion 3 are able to generate images with remarkable quality, even enabling photorealistic text-to-image generation. Their impressive performance suggests that these models should also constitute powerful priors for inverse imaging problems, but that approach has not yet led to comparable fidelity. There are several key obstacles: (i) the encoding into a lower-dimensional latent space makes the underlying (forward) mapping non-linear; (ii) the data likelihood term is usually intractable; and (iii) learned generative models struggle to recover rare, atypical data modes during inference. We present FLAIR, a novel training free variational framework that leverages flow-based generative models as a prior for inverse problems. To that end, we introduce a variational objective for flow matching that is agnostic to the type of degradation, and combine it with deterministic trajectory adjustments to recover atypical modes. To enforce exact consistency with the observed data, we decouple the optimization of the data fidelity and regularization terms. Moreover, we introduce a time-dependent calibration scheme in which the strength of the regularization is modulated according to off-line accuracy estimates. Results on standard imaging benchmarks demonstrate that FLAIR consistently outperforms existing diffusion- and flow-based methods in terms of reconstruction quality and sample diversity.

In meta reinforcement learning (meta RL), an agent seeks a Bayes-optimal policy -- the optimal policy when facing an unknown task that is sampled from some known task distribution. Previous approaches tackled this problem by inferring a belief over task parameters, using variational inference methods. Motivated by recent successes of contrastive learning approaches in RL, such as contrastive predictive coding (CPC), we investigate whether contrastive methods can be used for learning Bayes-optimal behavior. We begin by proving that representations learned by CPC are indeed sufficient for Bayes optimality. Based on this observation, we propose a simple meta RL algorithm that uses CPC in lieu of variational belief inference. Our method, ContraBAR, achieves comparable performance to state-of-the-art in domains with state-based observation and circumvents the computational toll of future observation reconstruction, enabling learning in domains with image-based observations. It can also be combined with image augmentations for domain randomization and used seamlessly in both online and offline meta RL settings.

The Variational Autoencoder (VAE) is a seminal approach in deep generative modeling with latent variables. Interpreting its reconstruction process as a nonlinear transformation of samples from the latent posterior distribution, we apply the Unscented Transform (UT) -- a well-known distribution approximation used in the Unscented Kalman Filter (UKF) from the field of filtering. A finite set of statistics called sigma points, sampled deterministically, provides a more informative and lower-variance posterior representation than the ubiquitous noise-scaling of the reparameterization trick, while ensuring higher-quality reconstruction. We further boost the performance by replacing the Kullback-Leibler (KL) divergence with the Wasserstein distribution metric that allows for a sharper posterior. Inspired by the two components, we derive a novel, deterministic-sampling flavor of the VAE, the Unscented Autoencoder (UAE), trained purely with regularization-like terms on the per-sample posterior. We empirically show competitive performance in Fr\'echet Inception Distance (FID) scores over closely-related models, in addition to a lower training variance than the VAE.

In this paper, a novel self-supervised learning (SSL) method is proposed, which learns not only representations but also representations uncertainties by considering SSL in terms of variational inference. SSL is a method of learning representation without labels by maximizing the similarity between image representations of different augmented views of the same image. Variational autoencoder (VAE) is an unsupervised representation learning method that trains a probabilistic generative model with variational inference. VAE and SSL can learn representations without labels, but the relationship between VAE and SSL has not been revealed. In this paper, the theoretical relationship between SSL and variational inference is clarified. In addition, variational inference SimSiam (VI-SimSiam) is proposed, which can predict the representation uncertainty by interpreting SimSiam with variational inference and defining the latent space distribution. The experiment qualitatively showed that VISimSiam could learn uncertainty by comparing input images and predicted uncertainties. We also revealed a relationship between estimated uncertainty and classification accuracy.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely f(f(z))=f(z). The proposed model f is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely f(x)=x. We define the target manifold as the set of all instances that f maps to themselves. (2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, f(f(z))=f(z) which encourages the range of f(z) to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

We present an algorithm for minimizing an objective with hard-to-compute gradients by using a related, easier-to-access function as a proxy. Our algorithm is based on approximate proximal point iterations on the proxy combined with relatively few stochastic gradients from the objective. When the difference between the objective and the proxy is delta-smooth, our algorithm guarantees convergence at a rate matching stochastic gradient descent on a delta-smooth objective, which can lead to substantially better sample efficiency. Our algorithm has many potential applications in machine learning, and provides a principled means of leveraging synthetic data, physics simulators, mixed public and private data, and more.

Maximizing the log-likelihood is a crucial aspect of learning latent variable models, and variational inference (VI) stands as the commonly adopted method. However, VI can encounter challenges in achieving a high log-likelihood when dealing with complicated posterior distributions. In response to this limitation, we introduce a novel variational importance sampling (VIS) approach that directly estimates and maximizes the log-likelihood. VIS leverages the optimal proposal distribution, achieved by minimizing the forward chi^2 divergence, to enhance log-likelihood estimation. We apply VIS to various popular latent variable models, including mixture models, variational auto-encoders, and partially observable generalized linear models. Results demonstrate that our approach consistently outperforms state-of-the-art baselines, both in terms of log-likelihood and model parameter estimation.

Variational auto-encoders are powerful probabilistic models in generative tasks but suffer from generating low-quality samples which are caused by the holes in the prior. We propose the Coupled Variational Auto-Encoder (C-VAE), which formulates the VAE problem as one of Optimal Transport (OT) between the prior and data distributions. The C-VAE allows greater flexibility in priors and natural resolution of the prior hole problem by enforcing coupling between the prior and the data distribution and enables flexible optimization through the primal, dual, and semi-dual formulations of entropic OT. Simulations on synthetic and real data show that the C-VAE outperforms alternatives including VAE, WAE, and InfoVAE in fidelity to the data, quality of the latent representation, and in quality of generated samples.

Consistency Training (CT) has recently emerged as a promising alternative to diffusion models, achieving competitive performance in image generation tasks. However, non-distillation consistency training often suffers from high variance and instability, and analyzing and improving its training dynamics is an active area of research. In this work, we propose a novel CT training approach based on the Flow Matching framework. Our main contribution is a trained noise-coupling scheme inspired by the architecture of Variational Autoencoders (VAE). By training a data-dependent noise emission model implemented as an encoder architecture, our method can indirectly learn the geometry of the noise-to-data mapping, which is instead fixed by the choice of the forward process in classical CT. Empirical results across diverse image datasets show significant generative improvements, with our model outperforming baselines and achieving the state-of-the-art (SoTA) non-distillation CT FID on CIFAR-10, and attaining FID on par with SoTA on ImageNet at 64 times 64 resolution in 2-step generation. Our code is available at https://github.com/sony/vct .

We present Variational Self-Supervised Learning (VSSL), a novel framework that combines variational inference with self-supervised learning to enable efficient, decoder-free representation learning. Unlike traditional VAEs that rely on input reconstruction via a decoder, VSSL symmetrically couples two encoders with Gaussian outputs. A momentum-updated teacher network defines a dynamic, data-dependent prior, while the student encoder produces an approximate posterior from augmented views. The reconstruction term in the ELBO is replaced with a cross-view denoising objective, preserving the analytical tractability of Gaussian KL divergence. We further introduce cosine-based formulations of KL and log-likelihood terms to enhance semantic alignment in high-dimensional latent spaces. Experiments on CIFAR-10, CIFAR-100, and ImageNet-100 show that VSSL achieves competitive or superior performance to leading self-supervised methods, including BYOL and MoCo V3. VSSL offers a scalable, probabilistically grounded approach to learning transferable representations without generative reconstruction, bridging the gap between variational modeling and modern self-supervised techniques.

Integrating physics models within machine learning models holds considerable promise toward learning robust models with improved interpretability and abilities to extrapolate. In this work, we focus on the integration of incomplete physics models into deep generative models. In particular, we introduce an architecture of variational autoencoders (VAEs) in which a part of the latent space is grounded by physics. A key technical challenge is to strike a balance between the incomplete physics and trainable components such as neural networks for ensuring that the physics part is used in a meaningful manner. To this end, we propose a regularized learning method that controls the effect of the trainable components and preserves the semantics of the physics-based latent variables as intended. We not only demonstrate generative performance improvements over a set of synthetic and real-world datasets, but we also show that we learn robust models that can consistently extrapolate beyond the training distribution in a meaningful manner. Moreover, we show that we can control the generative process in an interpretable manner.

We investigate an experiential learning paradigm for acquiring an internal model of intuitive physics. Our model is evaluated on a real-world robotic manipulation task that requires displacing objects to target locations by poking. The robot gathered over 400 hours of experience by executing more than 100K pokes on different objects. We propose a novel approach based on deep neural networks for modeling the dynamics of robot's interactions directly from images, by jointly estimating forward and inverse models of dynamics. The inverse model objective provides supervision to construct informative visual features, which the forward model can then predict and in turn regularize the feature space for the inverse model. The interplay between these two objectives creates useful, accurate models that can then be used for multi-step decision making. This formulation has the additional benefit that it is possible to learn forward models in an abstract feature space and thus alleviate the need of predicting pixels. Our experiments show that this joint modeling approach outperforms alternative methods.

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

We motivate Energy-Based Models (EBMs) as a promising model class for continual learning problems. Instead of tackling continual learning via the use of external memory, growing models, or regularization, EBMs change the underlying training objective to cause less interference with previously learned information. Our proposed version of EBMs for continual learning is simple, efficient, and outperforms baseline methods by a large margin on several benchmarks. Moreover, our proposed contrastive divergence-based training objective can be combined with other continual learning methods, resulting in substantial boosts in their performance. We further show that EBMs are adaptable to a more general continual learning setting where the data distribution changes without the notion of explicitly delineated tasks. These observations point towards EBMs as a useful building block for future continual learning methods.

Recent work shows that path gradient estimators for normalizing flows have lower variance compared to standard estimators for variational inference, resulting in improved training. However, they are often prohibitively more expensive from a computational point of view and cannot be applied to maximum likelihood training in a scalable manner, which severely hinders their widespread adoption. In this work, we overcome these crucial limitations. Specifically, we propose a fast path gradient estimator which improves computational efficiency significantly and works for all normalizing flow architectures of practical relevance. We then show that this estimator can also be applied to maximum likelihood training for which it has a regularizing effect as it can take the form of a given target energy function into account. We empirically establish its superior performance and reduced variance for several natural sciences applications.

Despite recent advancements in computer vision research, object detection in aerial images still suffers from several challenges. One primary challenge to be mitigated is the presence of multiple types of variation in aerial images, for example, illumination and viewpoint changes. These variations result in highly diverse image scenes and drastic alterations in object appearance, so that it becomes more complicated to localize objects from the whole image scene and recognize their categories. To address this problem, in this paper, we introduce a novel object detection framework in aerial images, named LANGuage-guided Object detection (LANGO). Upon the proposed language-guided learning, the proposed framework is designed to alleviate the impacts from both scene and instance-level variations. First, we are motivated by the way humans understand the semantics of scenes while perceiving environmental factors in the scenes (e.g., weather). Therefore, we design a visual semantic reasoner that comprehends visual semantics of image scenes by interpreting conditions where the given images were captured. Second, we devise a training objective, named relation learning loss, to deal with instance-level variations, such as viewpoint angle and scale changes. This training objective aims to learn relations in language representations of object categories, with the help of the robust characteristics against such variations. Through extensive experiments, we demonstrate the effectiveness of the proposed method, and our method obtains noticeable detection performance improvements.

Generative flow networks (GFlowNets) are a family of algorithms that learn a generative policy to sample discrete objects x with non-negative reward R(x). Learning objectives guarantee the GFlowNet samples x from the target distribution p^*(x) propto R(x) when loss is globally minimized over all states or trajectories, but it is unclear how well they perform with practical limits on training resources. We introduce an efficient evaluation strategy to compare the learned sampling distribution to the target reward distribution. As flows can be underdetermined given training data, we clarify the importance of learned flows to generalization and matching p^*(x) in practice. We investigate how to learn better flows, and propose (i) prioritized replay training of high-reward x, (ii) relative edge flow policy parametrization, and (iii) a novel guided trajectory balance objective, and show how it can solve a substructure credit assignment problem. We substantially improve sample efficiency on biochemical design tasks.

In many environments only a tiny subset of all states yield high reward. In these cases, few of the interactions with the environment provide a relevant learning signal. Hence, we may want to preferentially train on those high-reward states and the probable trajectories leading to them. To this end, we advocate for the use of a backtracking model that predicts the preceding states that terminate at a given high-reward state. We can train a model which, starting from a high value state (or one that is estimated to have high value), predicts and sample for which the (state, action)-tuples may have led to that high value state. These traces of (state, action) pairs, which we refer to as Recall Traces, sampled from this backtracking model starting from a high value state, are informative as they terminate in good states, and hence we can use these traces to improve a policy. We provide a variational interpretation for this idea and a practical algorithm in which the backtracking model samples from an approximate posterior distribution over trajectories which lead to large rewards. Our method improves the sample efficiency of both on- and off-policy RL algorithms across several environments and tasks.

Sequential learning with Gaussian processes (GPs) is challenging when access to past data is limited, for example, in continual and active learning. In such cases, errors can accumulate over time due to inaccuracies in the posterior, hyperparameters, and inducing points, making accurate learning challenging. Here, we present a method to keep all such errors in check using the recently proposed dual sparse variational GP. Our method enables accurate inference for generic likelihoods and improves learning by actively building and updating a memory of past data. We demonstrate its effectiveness in several applications involving Bayesian optimization, active learning, and continual learning.

We present a novel variational framework for performing inference in (neural) stochastic differential equations (SDEs) driven by Markov-approximate fractional Brownian motion (fBM). SDEs offer a versatile tool for modeling real-world continuous-time dynamic systems with inherent noise and randomness. Combining SDEs with the powerful inference capabilities of variational methods, enables the learning of representative function distributions through stochastic gradient descent. However, conventional SDEs typically assume the underlying noise to follow a Brownian motion (BM), which hinders their ability to capture long-term dependencies. In contrast, fractional Brownian motion (fBM) extends BM to encompass non-Markovian dynamics, but existing methods for inferring fBM parameters are either computationally demanding or statistically inefficient. In this paper, building upon the Markov approximation of fBM, we derive the evidence lower bound essential for efficient variational inference of posterior path measures, drawing from the well-established field of stochastic analysis. Additionally, we provide a closed-form expression to determine optimal approximation coefficients. Furthermore, we propose the use of neural networks to learn the drift, diffusion and control terms within our variational posterior, leading to the variational training of neural-SDEs. In this framework, we also optimize the Hurst index, governing the nature of our fractional noise. Beyond validation on synthetic data, we contribute a novel architecture for variational latent video prediction,-an approach that, to the best of our knowledge, enables the first variational neural-SDE application to video perception.

Attention-based models such as Transformers and recurrent models like state space models (SSMs) have emerged as successful methods for autoregressive sequence modeling. Although both enable parallel training, none enable parallel generation due to their autoregressiveness. We propose the variational SSM (VSSM), a variational autoencoder (VAE) where both the encoder and decoder are SSMs. Since sampling the latent variables and decoding them with the SSM can be parallelized, both training and generation can be conducted in parallel. Moreover, the decoder recurrence allows generation to be resumed without reprocessing the whole sequence. Finally, we propose the autoregressive VSSM that can be conditioned on a partial realization of the sequence, as is common in language generation tasks. Interestingly, the autoregressive VSSM still enables parallel generation. We highlight on toy problems (MNIST, CIFAR) the empirical gains in speed-up and show that it competes with traditional models in terms of generation quality (Transformer, Mamba SSM).

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

Multimodal variational autoencoders (VAEs) have shown promise as efficient generative models for weakly-supervised data. Yet, despite their advantage of weak supervision, they exhibit a gap in generative quality compared to unimodal VAEs, which are completely unsupervised. In an attempt to explain this gap, we uncover a fundamental limitation that applies to a large family of mixture-based multimodal VAEs. We prove that the sub-sampling of modalities enforces an undesirable upper bound on the multimodal ELBO and thereby limits the generative quality of the respective models. Empirically, we showcase the generative quality gap on both synthetic and real data and present the tradeoffs between different variants of multimodal VAEs. We find that none of the existing approaches fulfills all desired criteria of an effective multimodal generative model when applied on more complex datasets than those used in previous benchmarks. In summary, we identify, formalize, and validate fundamental limitations of VAE-based approaches for modeling weakly-supervised data and discuss implications for real-world applications.

This paper introduces a new interpretation of the Variational Autoencoder framework by taking a fully geometric point of view. We argue that vanilla VAE models unveil naturally a Riemannian structure in their latent space and that taking into consideration those geometrical aspects can lead to better interpolations and an improved generation procedure. This new proposed sampling method consists in sampling from the uniform distribution deriving intrinsically from the learned Riemannian latent space and we show that using this scheme can make a vanilla VAE competitive and even better than more advanced versions on several benchmark datasets. Since generative models are known to be sensitive to the number of training samples we also stress the method's robustness in the low data regime.

Image synthesis under multi-modal priors is a useful and challenging task that has received increasing attention in recent years. A major challenge in using generative models to accomplish this task is the lack of paired data containing all modalities (i.e. priors) and corresponding outputs. In recent work, a variational auto-encoder (VAE) model was trained in a weakly supervised manner to address this challenge. Since the generative power of VAEs is usually limited, it is difficult for this method to synthesize images belonging to complex distributions. To this end, we propose a solution based on a denoising diffusion probabilistic models to synthesise images under multi-model priors. Based on the fact that the distribution over each time step in the diffusion model is Gaussian, in this work we show that there exists a closed-form expression to the generate the image corresponds to the given modalities. The proposed solution does not require explicit retraining for all modalities and can leverage the outputs of individual modalities to generate realistic images according to different constraints. We conduct studies on two real-world datasets to demonstrate the effectiveness of our approach

This paper presents a novel framework for aligning learnable latent spaces to arbitrary target distributions by leveraging flow-based generative models as priors. Our method first pretrains a flow model on the target features to capture the underlying distribution. This fixed flow model subsequently regularizes the latent space via an alignment loss, which reformulates the flow matching objective to treat the latents as optimization targets. We formally prove that minimizing this alignment loss establishes a computationally tractable surrogate objective for maximizing a variational lower bound on the log-likelihood of latents under the target distribution. Notably, the proposed method eliminates computationally expensive likelihood evaluations and avoids ODE solving during optimization. As a proof of concept, we demonstrate in a controlled setting that the alignment loss landscape closely approximates the negative log-likelihood of the target distribution. We further validate the effectiveness of our approach through large-scale image generation experiments on ImageNet with diverse target distributions, accompanied by detailed discussions and ablation studies. With both theoretical and empirical validation, our framework paves a new way for latent space alignment.

Model-based reinforcement learning (RL) algorithms designed for handling complex visual observations typically learn some sort of latent state representation, either explicitly or implicitly. Standard methods of this sort do not distinguish between functionally relevant aspects of the state and irrelevant distractors, instead aiming to represent all available information equally. We propose a modified objective for model-based RL that, in combination with mutual information maximization, allows us to learn representations and dynamics for visual model-based RL without reconstruction in a way that explicitly prioritizes functionally relevant factors. The key principle behind our design is to integrate a term inspired by variational empowerment into a state-space model based on mutual information. This term prioritizes information that is correlated with action, thus ensuring that functionally relevant factors are captured first. Furthermore, the same empowerment term also promotes faster exploration during the RL process, especially for sparse-reward tasks where the reward signal is insufficient to drive exploration in the early stages of learning. We evaluate the approach on a suite of vision-based robot control tasks with natural video backgrounds, and show that the proposed prioritized information objective outperforms state-of-the-art model based RL approaches with higher sample efficiency and episodic returns. https://sites.google.com/view/information-empowerment

Variational inference is becoming more and more popular for approximating intractable posterior distributions in Bayesian statistics and machine learning. Meanwhile, a few recent works have provided theoretical justification and new insights on deep neural networks for estimating smooth functions in usual settings such as nonparametric regression. In this paper, we show that variational inference for sparse deep learning retains the same generalization properties than exact Bayesian inference. In particular, we highlight the connection between estimation and approximation theories via the classical bias-variance trade-off and show that it leads to near-minimax rates of convergence for H\"older smooth functions. Additionally, we show that the model selection framework over the neural network architecture via ELBO maximization does not overfit and adaptively achieves the optimal rate of convergence.

We present new intuitions and theoretical assessments of the emergence of disentangled representation in variational autoencoders. Taking a rate-distortion theory perspective, we show the circumstances under which representations aligned with the underlying generative factors of variation of data emerge when optimising the modified ELBO bound in beta-VAE, as training progresses. From these insights, we propose a modification to the training regime of beta-VAE, that progressively increases the information capacity of the latent code during training. This modification facilitates the robust learning of disentangled representations in beta-VAE, without the previous trade-off in reconstruction accuracy.

Can we pre-train a generalist agent from a large amount of unlabeled offline trajectories such that it can be immediately adapted to any new downstream tasks in a zero-shot manner? In this work, we present a functional reward encoding (FRE) as a general, scalable solution to this zero-shot RL problem. Our main idea is to learn functional representations of any arbitrary tasks by encoding their state-reward samples using a transformer-based variational auto-encoder. This functional encoding not only enables the pre-training of an agent from a wide diversity of general unsupervised reward functions, but also provides a way to solve any new downstream tasks in a zero-shot manner, given a small number of reward-annotated samples. We empirically show that FRE agents trained on diverse random unsupervised reward functions can generalize to solve novel tasks in a range of simulated robotic benchmarks, often outperforming previous zero-shot RL and offline RL methods. Code for this project is provided at: https://github.com/kvfrans/fre

We provide theoretical and empirical evidence that using tighter evidence lower bounds (ELBOs) can be detrimental to the process of learning an inference network by reducing the signal-to-noise ratio of the gradient estimator. Our results call into question common implicit assumptions that tighter ELBOs are better variational objectives for simultaneous model learning and inference amortization schemes. Based on our insights, we introduce three new algorithms: the partially importance weighted auto-encoder (PIWAE), the multiply importance weighted auto-encoder (MIWAE), and the combination importance weighted auto-encoder (CIWAE), each of which includes the standard importance weighted auto-encoder (IWAE) as a special case. We show that each can deliver improvements over IWAE, even when performance is measured by the IWAE target itself. Furthermore, our results suggest that PIWAE may be able to deliver simultaneous improvements in the training of both the inference and generative networks.

We describe a new training methodology for generative adversarial networks. The key idea is to grow both the generator and discriminator progressively: starting from a low resolution, we add new layers that model increasingly fine details as training progresses. This both speeds the training up and greatly stabilizes it, allowing us to produce images of unprecedented quality, e.g., CelebA images at 1024^2. We also propose a simple way to increase the variation in generated images, and achieve a record inception score of 8.80 in unsupervised CIFAR10. Additionally, we describe several implementation details that are important for discouraging unhealthy competition between the generator and discriminator. Finally, we suggest a new metric for evaluating GAN results, both in terms of image quality and variation. As an additional contribution, we construct a higher-quality version of the CelebA dataset.

Stochastic gradient Markov Chain Monte Carlo (SGMCMC) is considered the gold standard for Bayesian inference in large-scale models, such as Bayesian neural networks. Since practitioners face speed versus accuracy tradeoffs in these models, variational inference (VI) is often the preferable option. Unfortunately, VI makes strong assumptions on both the factorization and functional form of the posterior. In this work, we propose a new non-parametric variational approximation that makes no assumptions about the approximate posterior's functional form and allows practitioners to specify the exact dependencies the algorithm should respect or break. The approach relies on a new Langevin-type algorithm that operates on a modified energy function, where parts of the latent variables are averaged over samples from earlier iterations of the Markov chain. This way, statistical dependencies can be broken in a controlled way, allowing the chain to mix faster. This scheme can be further modified in a "dropout" manner, leading to even more scalability. We test our scheme for ResNet-20 on CIFAR-10, SVHN, and FMNIST. In all cases, we find improvements in convergence speed and/or final accuracy compared to SG-MCMC and VI.

Neural attention has become central to many state-of-the-art models in natural language processing and related domains. Attention networks are an easy-to-train and effective method for softly simulating alignment; however, the approach does not marginalize over latent alignments in a probabilistic sense. This property makes it difficult to compare attention to other alignment approaches, to compose it with probabilistic models, and to perform posterior inference conditioned on observed data. A related latent approach, hard attention, fixes these issues, but is generally harder to train and less accurate. This work considers variational attention networks, alternatives to soft and hard attention for learning latent variable alignment models, with tighter approximation bounds based on amortized variational inference. We further propose methods for reducing the variance of gradients to make these approaches computationally feasible. Experiments show that for machine translation and visual question answering, inefficient exact latent variable models outperform standard neural attention, but these gains go away when using hard attention based training. On the other hand, variational attention retains most of the performance gain but with training speed comparable to neural attention.

Reinforcement Learning (RL) algorithms are often known for sample inefficiency and difficult generalization. Recently, Unsupervised Environment Design (UED) emerged as a new paradigm for zero-shot generalization by simultaneously learning a task distribution and agent policies on the generated tasks. This is a non-stationary process where the task distribution evolves along with agent policies; creating an instability over time. While past works demonstrated the potential of such approaches, sampling effectively from the task space remains an open challenge, bottlenecking these approaches. To this end, we introduce CLUTR: a novel unsupervised curriculum learning algorithm that decouples task representation and curriculum learning into a two-stage optimization. It first trains a recurrent variational autoencoder on randomly generated tasks to learn a latent task manifold. Next, a teacher agent creates a curriculum by maximizing a minimax REGRET-based objective on a set of latent tasks sampled from this manifold. Using the fixed-pretrained task manifold, we show that CLUTR successfully overcomes the non-stationarity problem and improves stability. Our experimental results show CLUTR outperforms PAIRED, a principled and popular UED method, in the challenging CarRacing and navigation environments: achieving 10.6X and 45\% improvement in zero-shot generalization, respectively. CLUTR also performs comparably to the non-UED state-of-the-art for CarRacing, while requiring 500X fewer environment interactions.

We consider the distributionally robust optimization (DRO) problem with spectral risk-based uncertainty set and f-divergence penalty. This formulation includes common risk-sensitive learning objectives such as regularized condition value-at-risk (CVaR) and average top-k loss. We present Prospect, a stochastic gradient-based algorithm that only requires tuning a single learning rate hyperparameter, and prove that it enjoys linear convergence for smooth regularized losses. This contrasts with previous algorithms that either require tuning multiple hyperparameters or potentially fail to converge due to biased gradient estimates or inadequate regularization. Empirically, we show that Prospect can converge 2-3times faster than baselines such as stochastic gradient and stochastic saddle-point methods on distribution shift and fairness benchmarks spanning tabular, vision, and language domains.

A major goal of unsupervised learning is to discover data representations that are useful for subsequent tasks, without access to supervised labels during training. Typically, this involves minimizing a surrogate objective, such as the negative log likelihood of a generative model, with the hope that representations useful for subsequent tasks will arise as a side effect. In this work, we propose instead to directly target later desired tasks by meta-learning an unsupervised learning rule which leads to representations useful for those tasks. Specifically, we target semi-supervised classification performance, and we meta-learn an algorithm -- an unsupervised weight update rule -- that produces representations useful for this task. Additionally, we constrain our unsupervised update rule to a be a biologically-motivated, neuron-local function, which enables it to generalize to different neural network architectures, datasets, and data modalities. We show that the meta-learned update rule produces useful features and sometimes outperforms existing unsupervised learning techniques. We further show that the meta-learned unsupervised update rule generalizes to train networks with different widths, depths, and nonlinearities. It also generalizes to train on data with randomly permuted input dimensions and even generalizes from image datasets to a text task.

We extend PAC-Bayesian theory to generative models and develop generalization bounds for models based on the Wasserstein distance and the total variation distance. Our first result on the Wasserstein distance assumes the instance space is bounded, while our second result takes advantage of dimensionality reduction. Our results naturally apply to Wasserstein GANs and Energy-Based GANs, and our bounds provide new training objectives for these two. Although our work is mainly theoretical, we perform numerical experiments showing non-vacuous generalization bounds for Wasserstein GANs on synthetic datasets.

Powerful generative models, particularly in Natural Language Modelling, are commonly trained by maximizing a variational lower bound on the data log likelihood. These models often suffer from poor use of their latent variable, with ad-hoc annealing factors used to encourage retention of information in the latent variable. We discuss an alternative and general approach to latent variable modelling, based on an objective that combines the data log likelihood as well as the likelihood of a perfect reconstruction through an autoencoder. Tying these together ensures by design that the latent variable captures information about the observations, whilst retaining the ability to generate well. Interestingly, though this approach is a priori unrelated to VAEs, the lower bound attained is identical to the standard VAE bound but with the addition of a simple pre-factor; thus, providing a formal interpretation of the commonly used, ad-hoc pre-factors in training VAEs.

Most of the recent works on probing representations have focused on BERT, with the presumption that the findings might be similar to the other models. In this work, we extend the probing studies to two other models in the family, namely ELECTRA and XLNet, showing that variations in the pre-training objectives or architectural choices can result in different behaviors in encoding linguistic information in the representations. Most notably, we observe that ELECTRA tends to encode linguistic knowledge in the deeper layers, whereas XLNet instead concentrates that in the earlier layers. Also, the former model undergoes a slight change during fine-tuning, whereas the latter experiences significant adjustments. Moreover, we show that drawing conclusions based on the weight mixing evaluation strategy -- which is widely used in the context of layer-wise probing -- can be misleading given the norm disparity of the representations across different layers. Instead, we adopt an alternative information-theoretic probing with minimum description length, which has recently been proven to provide more reliable and informative results.

Humans generally use natural language to communicate task requirements to each other. Ideally, natural language should also be usable for communicating goals to autonomous machines (e.g., robots) to minimize friction in task specification. However, understanding and mapping natural language goals to sequences of states and actions is challenging. Specifically, existing work along these lines has encountered difficulty in generalizing learned policies to new natural language goals and environments. In this paper, we propose a novel adversarial inverse reinforcement learning algorithm to learn a language-conditioned policy and reward function. To improve generalization of the learned policy and reward function, we use a variational goal generator to relabel trajectories and sample diverse goals during training. Our algorithm outperforms multiple baselines by a large margin on a vision-based natural language instruction following dataset (Room-2-Room), demonstrating a promising advance in enabling the use of natural language instructions in specifying agent goals.

Variational autoencoders provide a principled framework for learning deep latent-variable models and corresponding inference models. In this work, we provide an introduction to variational autoencoders and some important extensions.

Conventional supervised learning methods typically assume i.i.d samples and are found to be sensitive to out-of-distribution (OOD) data. We propose Generative Causal Representation Learning (GCRL) which leverages causality to facilitate knowledge transfer under distribution shifts. While we evaluate the effectiveness of our proposed method in human trajectory prediction models, GCRL can be applied to other domains as well. First, we propose a novel causal model that explains the generative factors in motion forecasting datasets using features that are common across all environments and with features that are specific to each environment. Selection variables are used to determine which parts of the model can be directly transferred to a new environment without fine-tuning. Second, we propose an end-to-end variational learning paradigm to learn the causal mechanisms that generate observations from features. GCRL is supported by strong theoretical results that imply identifiability of the causal model under certain assumptions. Experimental results on synthetic and real-world motion forecasting datasets show the robustness and effectiveness of our proposed method for knowledge transfer under zero-shot and low-shot settings by substantially outperforming the prior motion forecasting models on out-of-distribution prediction. Our code is available at https://github.com/sshirahmad/GCRL.

Incorporating a deep generative model as the prior distribution in inverse problems has established substantial success in reconstructing images from corrupted observations. Notwithstanding, the existing optimization approaches use gradient descent largely without adapting to the non-convex nature of the problem and can be sensitive to initial values, impeding further performance improvement. In this paper, we propose an efficient amortized optimization scheme for inverse problems with a deep generative prior. Specifically, the optimization task with high degrees of difficulty is decomposed into optimizing a sequence of much easier ones. We provide a theoretical guarantee of the proposed algorithm and empirically validate it on different inverse problems. As a result, our approach outperforms baseline methods qualitatively and quantitatively by a large margin.

Riemannian representation learning typically relies on approximating densities on chosen manifolds. This involves optimizing difficult objectives, potentially harming models. To completely circumvent this issue, we introduce the Riemannian generative decoder which finds manifold-valued maximum likelihood latents with a Riemannian optimizer while training a decoder network. By discarding the encoder, we vastly simplify the manifold constraint compared to current approaches which often only handle few specific manifolds. We validate our approach on three case studies -- a synthetic branching diffusion process, human migrations inferred from mitochondrial DNA, and cells undergoing a cell division cycle -- each showing that learned representations respect the prescribed geometry and capture intrinsic non-Euclidean structure. Our method requires only a decoder, is compatible with existing architectures, and yields interpretable latent spaces aligned with data geometry.

Unsupervised pretraining has been transformative in many supervised domains. However, applying such ideas to reinforcement learning (RL) presents a unique challenge in that fine-tuning does not involve mimicking task-specific data, but rather exploring and locating the solution through iterative self-improvement. In this work, we study how unlabeled prior trajectory data can be leveraged to learn efficient exploration strategies. While prior data can be used to pretrain a set of low-level skills, or as additional off-policy data for online RL, it has been unclear how to combine these ideas effectively for online exploration. Our method SUPE (Skills from Unlabeled Prior data for Exploration) demonstrates that a careful combination of these ideas compounds their benefits. Our method first extracts low-level skills using a variational autoencoder (VAE), and then pseudo-relabels unlabeled trajectories using an optimistic reward model, transforming prior data into high-level, task-relevant examples. Finally, SUPE uses these transformed examples as additional off-policy data for online RL to learn a high-level policy that composes pretrained low-level skills to explore efficiently. We empirically show that SUPE reliably outperforms prior strategies, successfully solving a suite of long-horizon, sparse-reward tasks. Code: https://github.com/rail-berkeley/supe.

State-of-the-art (SOTA) reinforcement learning (RL) methods enable the vision-language agents to learn from interactions with the environment without human supervision. However, they struggle with learning inefficiencies in tackling real-world complex sequential decision-making tasks, especially with sparse reward signals and long-horizon dependencies. To effectively address the issue, we introduce Variational Subgoal-Conditioned RL (VSC-RL), which reformulates the vision-language sequential decision-making task as a variational goal-conditioned RL problem, allowing us to leverage advanced optimization methods to enhance learning efficiency. Specifically, VSC-RL optimizes the SubGoal Evidence Lower BOund (SGC-ELBO), which consists of (a) maximizing the subgoal-conditioned return via RL and (b) minimizing the subgoal-conditioned difference with the reference policy. We theoretically demonstrate that SGC-ELBO is equivalent to the original optimization objective, ensuring improved learning efficiency without sacrificing performance guarantees. Additionally, for real-world complex decision-making tasks, VSC-RL leverages the vision-language model to autonomously decompose the goal into feasible subgoals, enabling efficient learning. Across various benchmarks, including challenging real-world mobile device control tasks, VSC-RL significantly outperforms the SOTA vision-language agents, achieving superior performance and remarkable improvement in learning efficiency.

We present a formulation of flow matching as variational inference, which we refer to as variational flow matching (VFM). Based on this formulation we develop CatFlow, a flow matching method for categorical data. CatFlow is easy to implement, computationally efficient, and achieves strong results on graph generation tasks. In VFM, the objective is to approximate the posterior probability path, which is a distribution over possible end points of a trajectory. We show that VFM admits both the CatFlow objective and the original flow matching objective as special cases. We also relate VFM to score-based models, in which the dynamics are stochastic rather than deterministic, and derive a bound on the model likelihood based on a reweighted VFM objective. We evaluate CatFlow on one abstract graph generation task and two molecular generation tasks. In all cases, CatFlow exceeds or matches performance of the current state-of-the-art models.

Density estimation, compression and data generation are crucial tasks in artificial intelligence. Variational Auto-Encoders (VAEs) constitute a single framework to achieve these goals. Here, we present a novel class of generative models, called self-supervised Variational Auto-Encoder (selfVAE), that utilizes deterministic and discrete variational posteriors. This class of models allows to perform both conditional and unconditional sampling, while simplifying the objective function. First, we use a single self-supervised transformation as a latent variable, where a transformation is either downscaling or edge detection. Next, we consider a hierarchical architecture, i.e., multiple transformations, and we show its benefits compared to the VAE. The flexibility of selfVAE in data reconstruction finds a particularly interesting use case in data compression tasks, where we can trade-off memory for better data quality, and vice-versa. We present performance of our approach on three benchmark image data (Cifar10, Imagenette64, and CelebA).

Generative flow networks (GFlowNets) are a family of algorithms for training a sequential sampler of discrete objects under an unnormalized target density and have been successfully used for various probabilistic modeling tasks. Existing training objectives for GFlowNets are either local to states or transitions, or propagate a reward signal over an entire sampling trajectory. We argue that these alternatives represent opposite ends of a gradient bias-variance tradeoff and propose a way to exploit this tradeoff to mitigate its harmful effects. Inspired by the TD(lambda) algorithm in reinforcement learning, we introduce subtrajectory balance or SubTB(lambda), a GFlowNet training objective that can learn from partial action subsequences of varying lengths. We show that SubTB(lambda) accelerates sampler convergence in previously studied and new environments and enables training GFlowNets in environments with longer action sequences and sparser reward landscapes than what was possible before. We also perform a comparative analysis of stochastic gradient dynamics, shedding light on the bias-variance tradeoff in GFlowNet training and the advantages of subtrajectory balance.

We investigate the problem of training generative models on a very sparse collection of 3D models. We use geometrically motivated energies to augment and thus boost a sparse collection of example (training) models. We analyze the Hessian of the as-rigid-as-possible (ARAP) energy to sample from and project to the underlying (local) shape space, and use the augmented dataset to train a variational autoencoder (VAE). We iterate the process of building latent spaces of VAE and augmenting the associated dataset, to progressively reveal a richer and more expressive generative space for creating geometrically and semantically valid samples. Our framework allows us to train generative 3D models even with a small set of good quality 3D models, which are typically hard to curate. We extensively evaluate our method against a set of strong baselines, provide ablation studies and demonstrate application towards establishing shape correspondences. We present multiple examples of interesting and meaningful shape variations even when starting from as few as 3-10 training shapes.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

In the loss function of Variational Autoencoders there is a well known tension between two components: the reconstruction loss, improving the quality of the resulting images, and the Kullback-Leibler divergence, acting as a regularizer of the latent space. Correctly balancing these two components is a delicate issue, easily resulting in poor generative behaviours. In a recent work, Dai and Wipf obtained a sensible improvement by allowing the network to learn the balancing factor during training, according to a suitable loss function. In this article, we show that learning can be replaced by a simple deterministic computation, helping to understand the underlying mechanism, and resulting in a faster and more accurate behaviour. On typical datasets such as Cifar and Celeba, our technique sensibly outperforms all previous VAE architectures.

Variational inference using the reparameterization trick has enabled large-scale approximate Bayesian inference in complex probabilistic models, leveraging stochastic optimization to sidestep intractable expectations. The reparameterization trick is applicable when we can simulate a random variable by applying a differentiable deterministic function on an auxiliary random variable whose distribution is fixed. For many distributions of interest (such as the gamma or Dirichlet), simulation of random variables relies on acceptance-rejection sampling. The discontinuity introduced by the accept-reject step means that standard reparameterization tricks are not applicable. We propose a new method that lets us leverage reparameterization gradients even when variables are outputs of a acceptance-rejection sampling algorithm. Our approach enables reparameterization on a larger class of variational distributions. In several studies of real and synthetic data, we show that the variance of the estimator of the gradient is significantly lower than other state-of-the-art methods. This leads to faster convergence of stochastic gradient variational inference.

Optimal transport is an important tool in machine learning, allowing to capture geometric properties of the data through a linear program on transport polytopes. We present a single-loop optimization algorithm for minimizing general convex objectives on these domains, utilizing the principles of Sinkhorn matrix scaling and mirror descent. The proposed algorithm is robust to noise, and can be used in an online setting. We provide theoretical guarantees for convex objectives and experimental results showcasing it effectiveness on both synthetic and real-world data.

This paper proposes a new optimization algorithm called Entropy-SGD for training deep neural networks that is motivated by the local geometry of the energy landscape. Local extrema with low generalization error have a large proportion of almost-zero eigenvalues in the Hessian with very few positive or negative eigenvalues. We leverage upon this observation to construct a local-entropy-based objective function that favors well-generalizable solutions lying in large flat regions of the energy landscape, while avoiding poorly-generalizable solutions located in the sharp valleys. Conceptually, our algorithm resembles two nested loops of SGD where we use Langevin dynamics in the inner loop to compute the gradient of the local entropy before each update of the weights. We show that the new objective has a smoother energy landscape and show improved generalization over SGD using uniform stability, under certain assumptions. Our experiments on convolutional and recurrent networks demonstrate that Entropy-SGD compares favorably to state-of-the-art techniques in terms of generalization error and training time.

We present Language-Image Value learning (LIV), a unified objective for vision-language representation and reward learning from action-free videos with text annotations. Exploiting a novel connection between dual reinforcement learning and mutual information contrastive learning, the LIV objective trains a multi-modal representation that implicitly encodes a universal value function for tasks specified as language or image goals. We use LIV to pre-train the first control-centric vision-language representation from large human video datasets such as EpicKitchen. Given only a language or image goal, the pre-trained LIV model can assign dense rewards to each frame in videos of unseen robots or humans attempting that task in unseen environments. Further, when some target domain-specific data is available, the same objective can be used to fine-tune and improve LIV and even other pre-trained representations for robotic control and reward specification in that domain. In our experiments on several simulated and real-world robot environments, LIV models consistently outperform the best prior input state representations for imitation learning, as well as reward specification methods for policy synthesis. Our results validate the advantages of joint vision-language representation and reward learning within the unified, compact LIV framework.

Given a set of K probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.

We introduce Feasible Learning (FL), a sample-centric learning paradigm where models are trained by solving a feasibility problem that bounds the loss for each training sample. In contrast to the ubiquitous Empirical Risk Minimization (ERM) framework, which optimizes for average performance, FL demands satisfactory performance on every individual data point. Since any model that meets the prescribed performance threshold is a valid FL solution, the choice of optimization algorithm and its dynamics play a crucial role in shaping the properties of the resulting solutions. In particular, we study a primal-dual approach which dynamically re-weights the importance of each sample during training. To address the challenge of setting a meaningful threshold in practice, we introduce a relaxation of FL that incorporates slack variables of minimal norm. Our empirical analysis, spanning image classification, age regression, and preference optimization in large language models, demonstrates that models trained via FL can learn from data while displaying improved tail behavior compared to ERM, with only a marginal impact on average performance.

We consider the general class of time-homogeneous stochastic dynamical systems, both discrete and continuous, and study the problem of learning a representation of the state that faithfully captures its dynamics. This is instrumental to learning the transfer operator or the generator of the system, which in turn can be used for numerous tasks, such as forecasting and interpreting the system dynamics. We show that the search for a good representation can be cast as an optimization problem over neural networks. Our approach is supported by recent results in statistical learning theory, highlighting the role of approximation error and metric distortion in the learning problem. The objective function we propose is associated with projection operators from the representation space to the data space, overcomes metric distortion, and can be empirically estimated from data. In the discrete-time setting, we further derive a relaxed objective function that is differentiable and numerically well-conditioned. We compare our method against state-of-the-art approaches on different datasets, showing better performance across the board.

Multi-objective optimization problems are ubiquitous in robotics, e.g., the optimization of a robot manipulation task requires a joint consideration of grasp pose configurations, collisions and joint limits. While some demands can be easily hand-designed, e.g., the smoothness of a trajectory, several task-specific objectives need to be learned from data. This work introduces a method for learning data-driven SE(3) cost functions as diffusion models. Diffusion models can represent highly-expressive multimodal distributions and exhibit proper gradients over the entire space due to their score-matching training objective. Learning costs as diffusion models allows their seamless integration with other costs into a single differentiable objective function, enabling joint gradient-based motion optimization. In this work, we focus on learning SE(3) diffusion models for 6DoF grasping, giving rise to a novel framework for joint grasp and motion optimization without needing to decouple grasp selection from trajectory generation. We evaluate the representation power of our SE(3) diffusion models w.r.t. classical generative models, and we showcase the superior performance of our proposed optimization framework in a series of simulated and real-world robotic manipulation tasks against representative baselines.

The posterior collapse phenomenon in variational autoencoder (VAE), where the variational posterior distribution closely matches the prior distribution, can hinder the quality of the learned latent variables. As a consequence of posterior collapse, the latent variables extracted by the encoder in VAE preserve less information from the input data and thus fail to produce meaningful representations as input to the reconstruction process in the decoder. While this phenomenon has been an actively addressed topic related to VAE performance, the theory for posterior collapse remains underdeveloped, especially beyond the standard VAE. In this work, we advance the theoretical understanding of posterior collapse to two important and prevalent yet less studied classes of VAE: conditional VAE and hierarchical VAE. Specifically, via a non-trivial theoretical analysis of linear conditional VAE and hierarchical VAE with two levels of latent, we prove that the cause of posterior collapses in these models includes the correlation between the input and output of the conditional VAE and the effect of learnable encoder variance in the hierarchical VAE. We empirically validate our theoretical findings for linear conditional and hierarchical VAE and demonstrate that these results are also predictive for non-linear cases with extensive experiments.

Modern neural models trained on textual data rely on pre-trained representations that emerge without direct supervision. As these representations are increasingly being used in real-world applications, the inability to control their content becomes an increasingly important problem. We formulate the problem of identifying and erasing a linear subspace that corresponds to a given concept, in order to prevent linear predictors from recovering the concept. We model this problem as a constrained, linear maximin game, and show that existing solutions are generally not optimal for this task. We derive a closed-form solution for certain objectives, and propose a convex relaxation, \method, that works well for others. When evaluated in the context of binary gender removal, the method recovers a low-dimensional subspace whose removal mitigates bias by intrinsic and extrinsic evaluation. We show that the method is highly expressive, effectively mitigating bias in deep nonlinear classifiers while maintaining tractability and interpretability.

Learning unnormalized statistical models (e.g., energy-based models) is computationally challenging due to the complexity of handling the partition function. To eschew this complexity, noise-contrastive estimation~(NCE) has been proposed by formulating the objective as the logistic loss of the real data and the artificial noise. However, as found in previous works, NCE may perform poorly in many tasks due to its flat loss landscape and slow convergence. In this paper, we study it a direct approach for optimizing the negative log-likelihood of unnormalized models from the perspective of compositional optimization. To tackle the partition function, a noise distribution is introduced such that the log partition function can be written as a compositional function whose inner function can be estimated with stochastic samples. Hence, the objective can be optimized by stochastic compositional optimization algorithms. Despite being a simple method, we demonstrate that it is more favorable than NCE by (1) establishing a fast convergence rate and quantifying its dependence on the noise distribution through the variance of stochastic estimators; (2) developing better results for one-dimensional Gaussian mean estimation by showing our objective has a much favorable loss landscape and hence our method enjoys faster convergence; (3) demonstrating better performance on multiple applications, including density estimation, out-of-distribution detection, and real image generation.

Variational Autoencoders (VAEs) have been a pioneering force in the realm of deep generative models. Amongst its legions of progenies, Wasserstein Autoencoders (WAEs) stand out in particular due to the dual offering of heightened generative quality and a strong theoretical backbone. WAEs consist of an encoding and a decoding network forming a bottleneck with the prime objective of generating new samples resembling the ones it was catered to. In the process, they aim to achieve a target latent representation of the encoded data. Our work is an attempt to offer a theoretical understanding of the machinery behind WAEs. From a statistical viewpoint, we pose the problem as concurrent density estimation tasks based on neural network-induced transformations. This allows us to establish deterministic upper bounds on the realized errors WAEs commit. We also analyze the propagation of these stochastic errors in the presence of adversaries. As a result, both the large sample properties of the reconstructed distribution and the resilience of WAE models are explored.

Multi-modal data-sets are ubiquitous in modern applications, and multi-modal Variational Autoencoders are a popular family of models that aim to learn a joint representation of the different modalities. However, existing approaches suffer from a coherence-quality tradeoff, where models with good generation quality lack generative coherence across modalities, and vice versa. We discuss the limitations underlying the unsatisfactory performance of existing methods, to motivate the need for a different approach. We propose a novel method that uses a set of independently trained, uni-modal, deterministic autoencoders. Individual latent variables are concatenated into a common latent space, which is fed to a masked diffusion model to enable generative modeling. We also introduce a new multi-time training method to learn the conditional score network for multi-modal diffusion. Our methodology substantially outperforms competitors in both generation quality and coherence, as shown through an extensive experimental campaign.

Over-parameterization of deep neural networks (DNNs) has shown high prediction accuracy for many applications. Although effective, the large number of parameters hinders its popularity on resource-limited devices and has an outsize environmental impact. Sparse training (using a fixed number of nonzero weights in each iteration) could significantly mitigate the training costs by reducing the model size. However, existing sparse training methods mainly use either random-based or greedy-based drop-and-grow strategies, resulting in local minimal and low accuracy. In this work, we consider the dynamic sparse training as a sparse connectivity search problem and design an exploitation and exploration acquisition function to escape from local optima and saddle points. We further design an acquisition function and provide the theoretical guarantees for the proposed method and clarify its convergence property. Experimental results show that sparse models (up to 98\% sparsity) obtained by our proposed method outperform the SOTA sparse training methods on a wide variety of deep learning tasks. On VGG-19 / CIFAR-100, ResNet-50 / CIFAR-10, ResNet-50 / CIFAR-100, our method has even higher accuracy than dense models. On ResNet-50 / ImageNet, the proposed method has up to 8.2\% accuracy improvement compared to SOTA sparse training methods.

Optimal Transport (OT) problem aims to find a transport plan that bridges two distributions while minimizing a given cost function. OT theory has been widely utilized in generative modeling. In the beginning, OT distance has been used as a measure for assessing the distance between data and generated distributions. Recently, OT transport map between data and prior distributions has been utilized as a generative model. These OT-based generative models share a similar adversarial training objective. In this paper, we begin by unifying these OT-based adversarial methods within a single framework. Then, we elucidate the role of each component in training dynamics through a comprehensive analysis of this unified framework. Moreover, we suggest a simple but novel method that improves the previously best-performing OT-based model. Intuitively, our approach conducts a gradual refinement of the generated distribution, progressively aligning it with the data distribution. Our approach achieves a FID score of 2.51 on CIFAR-10 and 5.99 on CelebA-HQ-256, outperforming unified OT-based adversarial approaches.

Generating realistic time series data is important for many engineering and scientific applications. Existing work tackles this problem using generative adversarial networks (GANs). However, GANs are often unstable during training, and they can suffer from mode collapse. While variational autoencoders (VAEs) are known to be more robust to these issues, they are (surprisingly) less often considered for time series generation. In this work, we introduce Koopman VAE (KVAE), a new generative framework that is based on a novel design for the model prior, and that can be optimized for either regular and irregular training data. Inspired by Koopman theory, we represent the latent conditional prior dynamics using a linear map. Our approach enhances generative modeling with two desired features: (i) incorporating domain knowledge can be achieved by leverageing spectral tools that prescribe constraints on the eigenvalues of the linear map; and (ii) studying the qualitative behavior and stablity of the system can be performed using tools from dynamical systems theory. Our results show that KVAE outperforms state-of-the-art GAN and VAE methods across several challenging synthetic and real-world time series generation benchmarks. Whether trained on regular or irregular data, KVAE generates time series that improve both discriminative and predictive metrics. We also present visual evidence suggesting that KVAE learns probability density functions that better approximate empirical ground truth distributions.

A large part of the literature on learning disentangled representations focuses on variational autoencoders (VAE). Recent developments demonstrate that disentanglement cannot be obtained in a fully unsupervised setting without inductive biases on models and data. However, Khemakhem et al., AISTATS, 2020 suggest that employing a particular form of factorized prior, conditionally dependent on auxiliary variables complementing input observations, can be one such bias, resulting in an identifiable model with guarantees on disentanglement. Working along this line, we propose a novel VAE-based generative model with theoretical guarantees on identifiability. We obtain our conditional prior over the latents by learning an optimal representation, which imposes an additional strength on their regularization. We also extend our method to semi-supervised settings. Experimental results indicate superior performance with respect to state-of-the-art approaches, according to several established metrics proposed in the literature on disentanglement.

The choice of approximate posterior distribution is one of the core problems in variational inference. Most applications of variational inference employ simple families of posterior approximations in order to allow for efficient inference, focusing on mean-field or other simple structured approximations. This restriction has a significant impact on the quality of inferences made using variational methods. We introduce a new approach for specifying flexible, arbitrarily complex and scalable approximate posterior distributions. Our approximations are distributions constructed through a normalizing flow, whereby a simple initial density is transformed into a more complex one by applying a sequence of invertible transformations until a desired level of complexity is attained. We use this view of normalizing flows to develop categories of finite and infinitesimal flows and provide a unified view of approaches for constructing rich posterior approximations. We demonstrate that the theoretical advantages of having posteriors that better match the true posterior, combined with the scalability of amortized variational approaches, provides a clear improvement in performance and applicability of variational inference.

We study the problem of sample efficient reinforcement learning, where prior data such as demonstrations are provided for initialization in lieu of a dense reward signal. A natural approach is to incorporate an imitation learning objective, either as regularization during training or to acquire a reference policy. However, imitation learning objectives can ultimately degrade long-term performance, as it does not directly align with reward maximization. In this work, we propose to use prior data solely for guiding exploration via noise added to the policy, sidestepping the need for explicit behavior cloning constraints. The key insight in our framework, Data-Guided Noise (DGN), is that demonstrations are most useful for identifying which actions should be explored, rather than forcing the policy to take certain actions. Our approach achieves up to 2-3x improvement over prior reinforcement learning from offline data methods across seven simulated continuous control tasks.

Out-of-distribution (OOD) detection is critical to building reliable machine learning systems in the open world. Researchers have proposed various strategies to reduce model overconfidence on OOD data. Among them, ReAct is a typical and effective technique to deal with model overconfidence, which truncates high activations to increase the gap between in-distribution and OOD. Despite its promising results, is this technique the best choice for widening the gap? To answer this question, we leverage the variational method to find the optimal operation and verify the necessity of suppressing abnormally low and high activations and amplifying intermediate activations in OOD detection, rather than focusing only on high activations like ReAct. This motivates us to propose a novel technique called ``Variational Rectified Activation (VRA)'', which simulates these suppression and amplification operations using piecewise functions. Experimental results on multiple benchmark datasets demonstrate that our method outperforms existing post-hoc strategies. Meanwhile, VRA is compatible with different scoring functions and network architectures. \textcolor[rgb]{0.93,0.0,0.47}{Our code can be found in Supplementary Material}.

Disentangled representations, where the higher level data generative factors are reflected in disjoint latent dimensions, offer several benefits such as ease of deriving invariant representations, transferability to other tasks, interpretability, etc. We consider the problem of unsupervised learning of disentangled representations from large pool of unlabeled observations, and propose a variational inference based approach to infer disentangled latent factors. We introduce a regularizer on the expectation of the approximate posterior over observed data that encourages the disentanglement. We also propose a new disentanglement metric which is better aligned with the qualitative disentanglement observed in the decoder's output. We empirically observe significant improvement over existing methods in terms of both disentanglement and data likelihood (reconstruction quality).

Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such constraints can be softly imposed via loss function penalties, recent advancements in differentiable physics and optimization improve performance by incorporating PDE-constrained optimization as individual layers in neural networks. This enables a stricter adherence to physical constraints. However, imposing hard constraints significantly increases computational and memory costs, especially for complex dynamical systems. This is because it requires solving an optimization problem over a large number of points in a mesh, representing spatial and temporal discretizations, which greatly increases the complexity of the constraint. To address this challenge, we develop a scalable approach to enforce hard physical constraints using Mixture-of-Experts (MoE), which can be used with any neural network architecture. Our approach imposes the constraint over smaller decomposed domains, each of which is solved by an "expert" through differentiable optimization. During training, each expert independently performs a localized backpropagation step by leveraging the implicit function theorem; the independence of each expert allows for parallelization across multiple GPUs. Compared to standard differentiable optimization, our scalable approach achieves greater accuracy in the neural PDE solver setting for predicting the dynamics of challenging non-linear systems. We also improve training stability and require significantly less computation time during both training and inference stages.

We present a probabilistic model for point cloud generation, which is fundamental for various 3D vision tasks such as shape completion, upsampling, synthesis and data augmentation. Inspired by the diffusion process in non-equilibrium thermodynamics, we view points in point clouds as particles in a thermodynamic system in contact with a heat bath, which diffuse from the original distribution to a noise distribution. Point cloud generation thus amounts to learning the reverse diffusion process that transforms the noise distribution to the distribution of a desired shape. Specifically, we propose to model the reverse diffusion process for point clouds as a Markov chain conditioned on certain shape latent. We derive the variational bound in closed form for training and provide implementations of the model. Experimental results demonstrate that our model achieves competitive performance in point cloud generation and auto-encoding. The code is available at https://github.com/luost26/diffusion-point-cloud.

Deep neural networks are widely used for classification. These deep models often suffer from a lack of interpretability -- they are particularly difficult to understand because of their non-linear nature. As a result, neural networks are often treated as "black box" models, and in the past, have been trained purely to optimize the accuracy of predictions. In this work, we create a novel network architecture for deep learning that naturally explains its own reasoning for each prediction. This architecture contains an autoencoder and a special prototype layer, where each unit of that layer stores a weight vector that resembles an encoded training input. The encoder of the autoencoder allows us to do comparisons within the latent space, while the decoder allows us to visualize the learned prototypes. The training objective has four terms: an accuracy term, a term that encourages every prototype to be similar to at least one encoded input, a term that encourages every encoded input to be close to at least one prototype, and a term that encourages faithful reconstruction by the autoencoder. The distances computed in the prototype layer are used as part of the classification process. Since the prototypes are learned during training, the learned network naturally comes with explanations for each prediction, and the explanations are loyal to what the network actually computes.

Structured output representation is a generative task explored in computer vision that often times requires the mapping of low dimensional features to high dimensional structured outputs. Losses in complex spatial information in deterministic approaches such as Convolutional Neural Networks (CNN) lead to uncertainties and ambiguous structures within a single output representation. A probabilistic approach through deep Conditional Generative Models (CGM) is presented by Sohn et al. in which a particular model known as the Conditional Variational Auto-encoder (CVAE) is introduced and explored. While the original paper focuses on the task of image segmentation, this paper adopts the CVAE framework for the task of controlled output representation through attributes. This approach allows us to learn a disentangled multimodal prior distribution, resulting in more controlled and robust approach to sample generation. In this work we recreate the CVAE architecture and train it on images conditioned on various attributes obtained from two image datasets; the Large-scale CelebFaces Attributes (CelebA) dataset and the Caltech-UCSD Birds (CUB-200-2011) dataset. We attempt to generate new faces with distinct attributes such as hair color and glasses, as well as different bird species samples with various attributes. We further introduce strategies for improving generalized sample generation by applying a weighted term to the variational lower bound.

With the growing interest in pretrained vision-language models like CLIP, recent research has focused on adapting these models to downstream tasks. Despite achieving promising results, most existing methods require labeled data for all classes, which may not hold in real-world applications due to the long tail and Zipf's law. For example, some classes may lack labeled data entirely, such as emerging concepts. To address this problem, we propose a plug-and-play generative approach called SyntHesIzed Prompts~(SHIP) to improve existing fine-tuning methods. Specifically, we follow variational autoencoders to introduce a generator that reconstructs the visual features by inputting the synthesized prompts and the corresponding class names to the textual encoder of CLIP. In this manner, we easily obtain the synthesized features for the remaining label-only classes. Thereafter, we fine-tune CLIP with off-the-shelf methods by combining labeled and synthesized features. Extensive experiments on base-to-new generalization, cross-dataset transfer learning, and generalized zero-shot learning demonstrate the superiority of our approach. The code is available at https://github.com/mrflogs/SHIP.

This work investigates the use of smooth neural networks for modeling dynamic variations of implicit surfaces under the level set equation (LSE). For this, it extends the representation of neural implicit surfaces to the space-time R^3times R, which opens up mechanisms for continuous geometric transformations. Examples include evolving an initial surface towards general vector fields, smoothing and sharpening using the mean curvature equation, and interpolations of initial conditions. The network training considers two constraints. A data term is responsible for fitting the initial condition to the corresponding time instant, usually R^3 times {0}. Then, a LSE term forces the network to approximate the underlying geometric evolution given by the LSE, without any supervision. The network can also be initialized based on previously trained initial conditions, resulting in faster convergence compared to the standard approach.

Training state-of-the-art vision models has become prohibitively expensive for researchers and practitioners. For the sake of accessibility and resource reuse, it is important to focus on adapting these models to a variety of downstream scenarios. An interesting and practical paradigm is online test-time adaptation, according to which training data is inaccessible, no labelled data from the test distribution is available, and adaptation can only happen at test time and on a handful of samples. In this paper, we investigate how test-time adaptation methods fare for a number of pre-trained models on a variety of real-world scenarios, significantly extending the way they have been originally evaluated. We show that they perform well only in narrowly-defined experimental setups and sometimes fail catastrophically when their hyperparameters are not selected for the same scenario in which they are being tested. Motivated by the inherent uncertainty around the conditions that will ultimately be encountered at test time, we propose a particularly "conservative" approach, which addresses the problem with a Laplacian Adjusted Maximum-likelihood Estimation (LAME) objective. By adapting the model's output (not its parameters), and solving our objective with an efficient concave-convex procedure, our approach exhibits a much higher average accuracy across scenarios than existing methods, while being notably faster and have a much lower memory footprint. The code is available at https://github.com/fiveai/LAME.

The ability to learn good representations of states is essential for solving large reinforcement learning problems, where exploration, generalization, and transfer are particularly challenging. The Laplacian representation is a promising approach to address these problems by inducing intrinsic rewards for temporally-extended action discovery and reward shaping, and informative state encoding. To obtain the Laplacian representation one needs to compute the eigensystem of the graph Laplacian, which is often approximated through optimization objectives compatible with deep learning approaches. These approximations, however, depend on hyperparameters that are impossible to tune efficiently, converge to arbitrary rotations of the desired eigenvectors, and are unable to accurately recover the corresponding eigenvalues. In this paper we introduce a theoretically sound objective and corresponding optimization algorithm for approximating the Laplacian representation. Our approach naturally recovers both the true eigenvectors and eigenvalues while eliminating the hyperparameter dependence of previous approximations. We provide theoretical guarantees for our method and we show that those results translate empirically into robust learning across multiple environments.

We present a feasibility-seeking approach to neural network training. This mathematical optimization framework is distinct from conventional gradient-based loss minimization and uses projection operators and iterative projection algorithms. We reformulate training as a large-scale feasibility problem: finding network parameters and states that satisfy local constraints derived from its elementary operations. Training then involves projecting onto these constraints, a local operation that can be parallelized across the network. We introduce PJAX, a JAX-based software framework that enables this paradigm. PJAX composes projection operators for elementary operations, automatically deriving the solution operators for the feasibility problems (akin to autodiff for derivatives). It inherently supports GPU/TPU acceleration, provides a familiar NumPy-like API, and is extensible. We train diverse architectures (MLPs, CNNs, RNNs) on standard benchmarks using PJAX, demonstrating its functionality and generality. Our results show that this approach is as a compelling alternative to gradient-based training, with clear advantages in parallelism and the ability to handle non-differentiable operations.

Structured variational autoencoders (SVAEs) combine probabilistic graphical model priors on latent variables, deep neural networks to link latent variables to observed data, and structure-exploiting algorithms for approximate posterior inference. These models are particularly appealing for sequential data, where the prior can capture temporal dependencies. However, despite their conceptual elegance, SVAEs have proven difficult to implement, and more general approaches have been favored in practice. Here, we revisit SVAEs using modern machine learning tools and demonstrate their advantages over more general alternatives in terms of both accuracy and efficiency. First, we develop a modern implementation for hardware acceleration, parallelization, and automatic differentiation of the message passing algorithms at the core of the SVAE. Second, we show that by exploiting structure in the prior, the SVAE learns more accurate models and posterior distributions, which translate into improved performance on prediction tasks. Third, we show how the SVAE can naturally handle missing data, and we leverage this ability to develop a novel, self-supervised training approach. Altogether, these results show that the time is ripe to revisit structured variational autoencoders.

Learned optimizers (LOs) can significantly reduce the wall-clock training time of neural networks, substantially reducing training costs. However, they often suffer from poor meta-generalization, especially when training networks larger than those seen during meta-training. To address this, we use the recently proposed Maximal Update Parametrization (muP), which allows zero-shot generalization of optimizer hyperparameters from smaller to larger models. We extend muP theory to learned optimizers, treating the meta-training problem as finding the learned optimizer under muP. Our evaluation shows that LOs meta-trained with muP substantially improve meta-generalization as compared to LOs trained under standard parametrization (SP). Notably, when applied to large-width models, our best muLO, trained for 103 GPU-hours, matches or exceeds the performance of VeLO, the largest publicly available learned optimizer, meta-trained with 4000 TPU-months of compute. Moreover, muLOs demonstrate better generalization than their SP counterparts to deeper networks and to much longer training horizons (25 times longer) than those seen during meta-training.

There are two widely known issues with properly training Recurrent Neural Networks, the vanishing and the exploding gradient problems detailed in Bengio et al. (1994). In this paper we attempt to improve the understanding of the underlying issues by exploring these problems from an analytical, a geometric and a dynamical systems perspective. Our analysis is used to justify a simple yet effective solution. We propose a gradient norm clipping strategy to deal with exploding gradients and a soft constraint for the vanishing gradients problem. We validate empirically our hypothesis and proposed solutions in the experimental section.

Latent variable models (LVMs) with discrete compositional latents are an important but challenging setting due to a combinatorially large number of possible configurations of the latents. A key tradeoff in modeling the posteriors over latents is between expressivity and tractable optimization. For algorithms based on expectation-maximization (EM), the E-step is often intractable without restrictive approximations to the posterior. We propose the use of GFlowNets, algorithms for sampling from an unnormalized density by learning a stochastic policy for sequential construction of samples, for this intractable E-step. By training GFlowNets to sample from the posterior over latents, we take advantage of their strengths as amortized variational inference algorithms for complex distributions over discrete structures. Our approach, GFlowNet-EM, enables the training of expressive LVMs with discrete compositional latents, as shown by experiments on non-context-free grammar induction and on images using discrete variational autoencoders (VAEs) without conditional independence enforced in the encoder.

Variational inequalities have recently attracted considerable interest in machine learning as a flexible paradigm for models that go beyond ordinary loss function minimization (such as generative adversarial networks and related deep learning systems). In this setting, the optimal O(1/t) convergence rate for solving smooth monotone variational inequalities is achieved by the Extra-Gradient (EG) algorithm and its variants. Aiming to alleviate the cost of an extra gradient step per iteration (which can become quite substantial in deep learning applications), several algorithms have been proposed as surrogates to Extra-Gradient with a single oracle call per iteration. In this paper, we develop a synthetic view of such algorithms, and we complement the existing literature by showing that they retain a O(1/t) ergodic convergence rate in smooth, deterministic problems. Subsequently, beyond the monotone deterministic case, we also show that the last iterate of single-call, stochastic extra-gradient methods still enjoys a O(1/t) local convergence rate to solutions of non-monotone variational inequalities that satisfy a second-order sufficient condition.

Deep generative models are proficient in generating realistic data but struggle with producing rare samples in low density regions due to their scarcity of training datasets and the mode collapse problem. While recent methods aim to improve the fidelity of generated samples, they often reduce diversity and coverage by ignoring rare and novel samples. This study proposes a novel approach for generating diverse rare samples from high-resolution image datasets with pretrained GANs. Our method employs gradient-based optimization of latent vectors within a multi-objective framework and utilizes normalizing flows for density estimation on the feature space. This enables the generation of diverse rare images, with controllable parameters for rarity, diversity, and similarity to a reference image. We demonstrate the effectiveness of our approach both qualitatively and quantitatively across various datasets and GANs without retraining or fine-tuning the pretrained GANs.

Approximate inference in Gaussian process (GP) models with non-conjugate likelihoods gets entangled with the learning of the model hyperparameters. We improve hyperparameter learning in GP models and focus on the interplay between variational inference (VI) and the learning target. While VI's lower bound to the marginal likelihood is a suitable objective for inferring the approximate posterior, we show that a direct approximation of the marginal likelihood as in Expectation Propagation (EP) is a better learning objective for hyperparameter optimization. We design a hybrid training procedure to bring the best of both worlds: it leverages conjugate-computation VI for inference and uses an EP-like marginal likelihood approximation for hyperparameter learning. We compare VI, EP, Laplace approximation, and our proposed training procedure and empirically demonstrate the effectiveness of our proposal across a wide range of data sets.

To achieve scalable and accurate inference for latent Gaussian processes, we propose a variational approximation based on a family of Gaussian distributions whose covariance matrices have sparse inverse Cholesky (SIC) factors. We combine this variational approximation of the posterior with a similar and efficient SIC-restricted Kullback-Leibler-optimal approximation of the prior. We then focus on a particular SIC ordering and nearest-neighbor-based sparsity pattern resulting in highly accurate prior and posterior approximations. For this setting, our variational approximation can be computed via stochastic gradient descent in polylogarithmic time per iteration. We provide numerical comparisons showing that the proposed double-Kullback-Leibler-optimal Gaussian-process approximation (DKLGP) can sometimes be vastly more accurate for stationary kernels than alternative approaches such as inducing-point and mean-field approximations at similar computational complexity.

Contrastively trained encoders have recently been proven to invert the data-generating process: they encode each input, e.g., an image, into the true latent vector that generated the image (Zimmermann et al., 2021). However, real-world observations often have inherent ambiguities. For instance, images may be blurred or only show a 2D view of a 3D object, so multiple latents could have generated them. This makes the true posterior for the latent vector probabilistic with heteroscedastic uncertainty. In this setup, we extend the common InfoNCE objective and encoders to predict latent distributions instead of points. We prove that these distributions recover the correct posteriors of the data-generating process, including its level of aleatoric uncertainty, up to a rotation of the latent space. In addition to providing calibrated uncertainty estimates, these posteriors allow the computation of credible intervals in image retrieval. They comprise images with the same latent as a given query, subject to its uncertainty. Code is available at https://github.com/mkirchhof/Probabilistic_Contrastive_Learning

We consider the problem of weakly supervised object detection, where the training samples are annotated using only image-level labels that indicate the presence or absence of an object category. In order to model the uncertainty in the location of the objects, we employ a dissimilarity coefficient based probabilistic learning objective. The learning objective minimizes the difference between an annotation agnostic prediction distribution and an annotation aware conditional distribution. The main computational challenge is the complex nature of the conditional distribution, which consists of terms over hundreds or thousands of variables. The complexity of the conditional distribution rules out the possibility of explicitly modeling it. Instead, we exploit the fact that deep learning frameworks rely on stochastic optimization. This allows us to use a state of the art discrete generative model that can provide annotation consistent samples from the conditional distribution. Extensive experiments on PASCAL VOC 2007 and 2012 data sets demonstrate the efficacy of our proposed approach.

Contrastive Learning (CL), a leading paradigm in Self-Supervised Learning (SSL), typically relies on pairs of data views generated through augmentation. While multiple augmentations per instance (more than two) improve generalization in supervised learning, current CL methods handle additional views suboptimally by simply aggregating different pairwise objectives. This approach suffers from four critical limitations: (L1) it utilizes multiple optimization terms per data point resulting to conflicting objectives, (L2) it fails to model all interactions across views and data points, (L3) it inherits fundamental limitations (e.g. alignment-uniformity coupling) from pairwise CL losses, and (L4) it prevents fully realizing the benefits of increased view multiplicity observed in supervised settings. We address these limitations through two novel loss functions: MV-InfoNCE, which extends InfoNCE to incorporate all possible view interactions simultaneously in one term per data point, and MV-DHEL, which decouples alignment from uniformity across views while scaling interaction complexity with view multiplicity. Both approaches are theoretically grounded - we prove they asymptotically optimize for alignment of all views and uniformity, providing principled extensions to multi-view contrastive learning. Our empirical results on ImageNet1K and three other datasets demonstrate that our methods consistently outperform existing multi-view approaches and effectively scale with increasing view multiplicity. We also apply our objectives to multimodal data and show that, in contrast to other contrastive objectives, they can scale beyond just two modalities. Most significantly, ablation studies reveal that MV-DHEL with five or more views effectively mitigates dimensionality collapse by fully utilizing the embedding space, thereby delivering multi-view benefits observed in supervised learning.

Deep learning models are increasingly employed for perception, prediction, and control in complex systems. Embedding physical knowledge into these models is crucial for achieving realistic and consistent outputs, a challenge often addressed by physics-informed machine learning. However, integrating physical knowledge with representation learning becomes difficult when dealing with high-dimensional observation data, such as images, particularly under conditions of incomplete or imprecise state information. To address this, we propose Physically Interpretable World Models, a novel architecture that aligns learned latent representations with real-world physical quantities. Our method combines a variational autoencoder with a dynamical model that incorporates unknown system parameters, enabling the discovery of physically meaningful representations. By employing weak supervision with interval-based constraints, our approach eliminates the reliance on ground-truth physical annotations. Experimental results demonstrate that our method improves the quality of learned representations while achieving accurate predictions of future states, advancing the field of representation learning in dynamic systems.

Deep Generative AI has been a long-standing essential topic in the machine learning community, which can impact a number of application areas like text generation and computer vision. The major paradigm to train a generative model is maximum likelihood estimation, which pushes the learner to capture and approximate the target data distribution by decreasing the divergence between the model distribution and the target distribution. This formulation successfully establishes the objective of generative tasks, while it is incapable of satisfying all the requirements that a user might expect from a generative model. Reinforcement learning, serving as a competitive option to inject new training signals by creating new objectives that exploit novel signals, has demonstrated its power and flexibility to incorporate human inductive bias from multiple angles, such as adversarial learning, hand-designed rules and learned reward model to build a performant model. Thereby, reinforcement learning has become a trending research field and has stretched the limits of generative AI in both model design and application. It is reasonable to summarize and conclude advances in recent years with a comprehensive review. Although there are surveys in different application areas recently, this survey aims to shed light on a high-level review that spans a range of application areas. We provide a rigorous taxonomy in this area and make sufficient coverage on various models and applications. Notably, we also surveyed the fast-developing large language model area. We conclude this survey by showing the potential directions that might tackle the limit of current models and expand the frontiers for generative AI.

Loss of plasticity is a phenomenon where neural networks become more difficult to train during the course of learning. Continual learning algorithms seek to mitigate this effect by sustaining good predictive performance while maintaining network trainability. We develop new techniques for improving continual learning by first reconsidering how initialization can ensure trainability during early phases of learning. From this perspective, we derive new regularization strategies for continual learning that ensure beneficial initialization properties are better maintained throughout training. In particular, we investigate two new regularization techniques for continual learning: (i) Wasserstein regularization toward the initial weight distribution, which is less restrictive than regularizing toward initial weights; and (ii) regularizing weight matrix singular values, which directly ensures gradient diversity is maintained throughout training. We present an experimental analysis that shows these alternative regularizers can improve continual learning performance across a range of supervised learning tasks and model architectures. The alternative regularizers prove to be less sensitive to hyperparameters while demonstrating better training in individual tasks, sustaining trainability as new tasks arrive, and achieving better generalization performance.

In recent years, domains such as natural language processing and image recognition have popularized the paradigm of using large datasets to pretrain representations that can be effectively transferred to downstream tasks. In this work we evaluate how such a paradigm should be done in imitation learning, where both pretraining and finetuning data are trajectories collected by experts interacting with an unknown environment. Namely, we consider a setting where the pretraining corpus consists of multitask demonstrations and the task for each demonstration is set by an unobserved latent context variable. The goal is to use the pretraining corpus to learn a low dimensional representation of the high dimensional (e.g., visual) observation space which can be transferred to a novel context for finetuning on a limited dataset of demonstrations. Among a variety of possible pretraining objectives, we argue that inverse dynamics modeling -- i.e., predicting an action given the observations appearing before and after it in the demonstration -- is well-suited to this setting. We provide empirical evidence of this claim through evaluations on a variety of simulated visuomotor manipulation problems. While previous work has attempted various theoretical explanations regarding the benefit of inverse dynamics modeling, we find that these arguments are insufficient to explain the empirical advantages often observed in our settings, and so we derive a novel analysis using a simple but general environment model.

Representation learning seeks to expose certain aspects of observed data in a learned representation that's amenable to downstream tasks like classification. For instance, a good representation for 2D images might be one that describes only global structure and discards information about detailed texture. In this paper, we present a simple but principled method to learn such global representations by combining Variational Autoencoder (VAE) with neural autoregressive models such as RNN, MADE and PixelRNN/CNN. Our proposed VAE model allows us to have control over what the global latent code can learn and , by designing the architecture accordingly, we can force the global latent code to discard irrelevant information such as texture in 2D images, and hence the VAE only "autoencodes" data in a lossy fashion. In addition, by leveraging autoregressive models as both prior distribution p(z) and decoding distribution p(x|z), we can greatly improve generative modeling performance of VAEs, achieving new state-of-the-art results on MNIST, OMNIGLOT and Caltech-101 Silhouettes density estimation tasks.

Deep neural networks have demonstrated remarkable performance in supervised learning tasks but require large amounts of labeled data. Self-supervised learning offers an alternative paradigm, enabling the model to learn from data without explicit labels. Information theory has been instrumental in understanding and optimizing deep neural networks. Specifically, the information bottleneck principle has been applied to optimize the trade-off between compression and relevant information preservation in supervised settings. However, the optimal information objective in self-supervised learning remains unclear. In this paper, we review various approaches to self-supervised learning from an information-theoretic standpoint and present a unified framework that formalizes the self-supervised information-theoretic learning problem. We integrate existing research into a coherent framework, examine recent self-supervised methods, and identify research opportunities and challenges. Moreover, we discuss empirical measurement of information-theoretic quantities and their estimators. This paper offers a comprehensive review of the intersection between information theory, self-supervised learning, and deep neural networks.

The objective function used in trajectory optimization is often non-convex and can have an infinite set of local optima. In such cases, there are diverse solutions to perform a given task. Although there are a few methods to find multiple solutions for motion planning, they are limited to generating a finite set of solutions. To address this issue, we presents an optimization method that learns an infinite set of solutions in trajectory optimization. In our framework, diverse solutions are obtained by learning latent representations of solutions. Our approach can be interpreted as training a deep generative model of collision-free trajectories for motion planning. The experimental results indicate that the trained model represents an infinite set of homotopic solutions for motion planning problems.

Self-supervised learning converts raw perceptual data such as images to a compact space where simple Euclidean distances measure meaningful variations in data. In this paper, we extend this formulation by adding additional geometric structure to the embedding space by enforcing transformations of input space to correspond to simple (i.e., linear) transformations of embedding space. Specifically, in the contrastive learning setting, we introduce an equivariance objective and theoretically prove that its minima forces augmentations on input space to correspond to rotations on the spherical embedding space. We show that merely combining our equivariant loss with a non-collapse term results in non-trivial representations, without requiring invariance to data augmentations. Optimal performance is achieved by also encouraging approximate invariance, where input augmentations correspond to small rotations. Our method, CARE: Contrastive Augmentation-induced Rotational Equivariance, leads to improved performance on downstream tasks, and ensures sensitivity in embedding space to important variations in data (e.g., color) that standard contrastive methods do not achieve. Code is available at https://github.com/Sharut/CARE.

Generative models in function spaces, situated at the intersection of generative modeling and operator learning, are attracting increasing attention due to their immense potential in diverse scientific and engineering applications. While functional generative models are theoretically domain- and discretization-agnostic, current implementations heavily rely on the Fourier Neural Operator (FNO), limiting their applicability to regular grids and rectangular domains. To overcome these critical limitations, we introduce the Mesh-Informed Neural Operator (MINO). By leveraging graph neural operators and cross-attention mechanisms, MINO offers a principled, domain- and discretization-agnostic backbone for generative modeling in function spaces. This advancement significantly expands the scope of such models to more diverse applications in generative, inverse, and regression tasks. Furthermore, MINO provides a unified perspective on integrating neural operators with general advanced deep learning architectures. Finally, we introduce a suite of standardized evaluation metrics that enable objective comparison of functional generative models, addressing another critical gap in the field.

We show that learning-rate schedules for large model training behave surprisingly similar to a performance bound from non-smooth convex optimization theory. We provide a bound for the constant schedule with linear cooldown; in particular, the practical benefit of cooldown is reflected in the bound due to the absence of logarithmic terms. Further, we show that this surprisingly close match between optimization theory and practice can be exploited for learning-rate tuning: we achieve noticeable improvements for training 124M and 210M Llama-type models by (i) extending the schedule for continued training with optimal learning-rate, and (ii) transferring the optimal learning-rate across schedules.

Real-world single image denoising is crucial and practical in computer vision. Bayesian inversions combined with score priors now have proven effective for single image denoising but are limited to white Gaussian noise. Moreover, applying existing score-based methods for real-world denoising requires not only the explicit train of score priors on the target domain but also the careful design of sampling procedures for posterior inference, which is complicated and impractical. To address these limitations, we propose a score priors-guided deep variational inference, namely ScoreDVI, for practical real-world denoising. By considering the deep variational image posterior with a Gaussian form, score priors are extracted based on easily accessible minimum MSE Non-i.i.d Gaussian denoisers and variational samples, which in turn facilitate optimizing the variational image posterior. Such a procedure adaptively applies cheap score priors to denoising. Additionally, we exploit a Non-i.i.d Gaussian mixture model and variational noise posterior to model the real-world noise. This scheme also enables the pixel-wise fusion of multiple image priors and variational image posteriors. Besides, we develop a noise-aware prior assignment strategy that dynamically adjusts the weight of image priors in the optimization. Our method outperforms other single image-based real-world denoising methods and achieves comparable performance to dataset-based unsupervised methods.

Long-tailed classification is challenging due to its heavy imbalance in class probabilities. While existing methods often focus on overall accuracy or accuracy for tail classes, they overlook a critical aspect: certain types of errors can carry greater risks than others in real-world long-tailed problems. For example, misclassifying patients (a tail class) as healthy individuals (a head class) entails far more serious consequences than the reverse scenario. To address this critical issue, we introduce Making Reliable and Flexible Decisions in Long-tailed Classification (RF-DLC), a novel framework aimed at reliable predictions in long-tailed problems. Leveraging Bayesian Decision Theory, we introduce an integrated gain to seamlessly combine long-tailed data distributions and the decision-making procedure. We further propose an efficient variational optimization strategy for the decision risk objective. Our method adapts readily to diverse utility matrices, which can be designed for specific tasks, ensuring its flexibility for different problem settings. In empirical evaluation, we design a new metric, False Head Rate, to quantify tail-sensitivity risk, along with comprehensive experiments on multiple real-world tasks, including large-scale image classification and uncertainty quantification, to demonstrate the reliability and flexibility of our method.

Multiple types of inference are available for probabilistic graphical models, e.g., marginal, maximum-a-posteriori, and even marginal maximum-a-posteriori. Which one do researchers mean when they talk about ``planning as inference''? There is no consistency in the literature, different types are used, and their ability to do planning is further entangled with specific approximations or additional constraints. In this work we use the variational framework to show that, just like all commonly used types of inference correspond to different weightings of the entropy terms in the variational problem, planning corresponds exactly to a different set of weights. This means that all the tricks of variational inference are readily applicable to planning. We develop an analogue of loopy belief propagation that allows us to perform approximate planning in factored-state Markov decisions processes without incurring intractability due to the exponentially large state space. The variational perspective shows that the previous types of inference for planning are only adequate in environments with low stochasticity, and allows us to characterize each type by its own merits, disentangling the type of inference from the additional approximations that its practical use requires. We validate these results empirically on synthetic MDPs and tasks posed in the International Planning Competition.

In this paper, we propose to regularize ill-posed inverse problems using a deep hierarchical variational autoencoder (HVAE) as an image prior. The proposed method synthesizes the advantages of i) denoiser-based Plug \& Play approaches and ii) generative model based approaches to inverse problems. First, we exploit VAE properties to design an efficient algorithm that benefits from convergence guarantees of Plug-and-Play (PnP) methods. Second, our approach is not restricted to specialized datasets and the proposed PnP-HVAE model is able to solve image restoration problems on natural images of any size. Our experiments show that the proposed PnP-HVAE method is competitive with both SOTA denoiser-based PnP approaches, and other SOTA restoration methods based on generative models.

We provide a rigorous analysis of implicit regularization in an overparametrized tensor factorization problem beyond the lazy training regime. For matrix factorization problems, this phenomenon has been studied in a number of works. A particular challenge has been to design universal initialization strategies which provably lead to implicit regularization in gradient-descent methods. At the same time, it has been argued by Cohen et. al. 2016 that more general classes of neural networks can be captured by considering tensor factorizations. However, in the tensor case, implicit regularization has only been rigorously established for gradient flow or in the lazy training regime. In this paper, we prove the first tensor result of its kind for gradient descent rather than gradient flow. We focus on the tubal tensor product and the associated notion of low tubal rank, encouraged by the relevance of this model for image data. We establish that gradient descent in an overparametrized tensor factorization model with a small random initialization exhibits an implicit bias towards solutions of low tubal rank. Our theoretical findings are illustrated in an extensive set of numerical simulations show-casing the dynamics predicted by our theory as well as the crucial role of using a small random initialization.

The objective of domain generalization (DG) is to enhance the transferability of the model learned from a source domain to unobserved domains. To prevent overfitting to a specific domain, Sharpness-Aware Minimization (SAM) reduces source domain's loss sharpness. Although SAM variants have delivered significant improvements in DG, we highlight that there's still potential for improvement in generalizing to unknown domains through the exploration on data space. This paper introduces an objective rooted in both parameter and data perturbed regions for domain generalization, coined Unknown Domain Inconsistency Minimization (UDIM). UDIM reduces the loss landscape inconsistency between source domain and unknown domains. As unknown domains are inaccessible, these domains are empirically crafted by perturbing instances from the source domain dataset. In particular, by aligning the loss landscape acquired in the source domain to the loss landscape of perturbed domains, we expect to achieve generalization grounded on these flat minima for the unknown domains. Theoretically, we validate that merging SAM optimization with the UDIM objective establishes an upper bound for the true objective of the DG task. In an empirical aspect, UDIM consistently outperforms SAM variants across multiple DG benchmark datasets. Notably, UDIM shows statistically significant improvements in scenarios with more restrictive domain information, underscoring UDIM's generalization capability in unseen domains. Our code is available at https://github.com/SJShin-AI/UDIM.

Optimization is a ubiquitous modeling tool and is often deployed in settings which repeatedly solve similar instances of the same problem. Amortized optimization methods use learning to predict the solutions to problems in these settings, exploiting the shared structure between similar problem instances. These methods have been crucial in variational inference and reinforcement learning and are capable of solving optimization problems many orders of magnitudes times faster than traditional optimization methods that do not use amortization. This tutorial presents an introduction to the amortized optimization foundations behind these advancements and overviews their applications in variational inference, sparse coding, gradient-based meta-learning, control, reinforcement learning, convex optimization, optimal transport, and deep equilibrium networks. The source code for this tutorial is available at https://github.com/facebookresearch/amortized-optimization-tutorial.

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative trajectories, and results in costly inference for diffusion models. To address these limitations, we introduce Neural Flow Diffusion Models (NFDM), a novel framework that enhances diffusion models by supporting a broader range of forward processes beyond the fixed linear Gaussian. We also propose a novel parameterization technique for learning the forward process. Our framework provides an end-to-end, simulation-free optimization objective, effectively minimizing a variational upper bound on the negative log-likelihood. Experimental results demonstrate NFDM's strong performance, evidenced by state-of-the-art likelihood estimation. Furthermore, we investigate NFDM's capacity for learning generative dynamics with specific characteristics, such as deterministic straight lines trajectories. This exploration underscores NFDM's versatility and its potential for a wide range of applications.

Domain adaptation (DA) attempts to transfer the knowledge from a labeled source domain to an unlabeled target domain that follows different distribution from the source. To achieve this, DA methods include a source classification objective to extract the source knowledge and a domain alignment objective to diminish the domain shift, ensuring knowledge transfer. Typically, former DA methods adopt some weight hyper-parameters to linearly combine the training objectives to form an overall objective. However, the gradient directions of these objectives may conflict with each other due to domain shift. Under such circumstances, the linear optimization scheme might decrease the overall objective value at the expense of damaging one of the training objectives, leading to restricted solutions. In this paper, we rethink the optimization scheme for DA from a gradient-based perspective. We propose a Pareto Domain Adaptation (ParetoDA) approach to control the overall optimization direction, aiming to cooperatively optimize all training objectives. Specifically, to reach a desirable solution on the target domain, we design a surrogate loss mimicking target classification. To improve target-prediction accuracy to support the mimicking, we propose a target-prediction refining mechanism which exploits domain labels via Bayes' theorem. On the other hand, since prior knowledge of weighting schemes for objectives is often unavailable to guide optimization to approach the optimal solution on the target domain, we propose a dynamic preference mechanism to dynamically guide our cooperative optimization by the gradient of the surrogate loss on a held-out unlabeled target dataset. Extensive experiments on image classification and semantic segmentation benchmarks demonstrate the effectiveness of ParetoDA

With the discovery of Wasserstein GANs, Optimal Transport (OT) has become a powerful tool for large-scale generative modeling tasks. In these tasks, OT cost is typically used as the loss for training GANs. In contrast to this approach, we show that the OT map itself can be used as a generative model, providing comparable performance. Previous analogous approaches consider OT maps as generative models only in the latent spaces due to their poor performance in the original high-dimensional ambient space. In contrast, we apply OT maps directly in the ambient space, e.g., a space of high-dimensional images. First, we derive a min-max optimization algorithm to efficiently compute OT maps for the quadratic cost (Wasserstein-2 distance). Next, we extend the approach to the case when the input and output distributions are located in the spaces of different dimensions and derive error bounds for the computed OT map. We evaluate the algorithm on image generation and unpaired image restoration tasks. In particular, we consider denoising, colorization, and inpainting, where the optimality of the restoration map is a desired attribute, since the output (restored) image is expected to be close to the input (degraded) one.

A model involving Gaussian processes (GPs) is introduced to simultaneously handle multi-task learning, clustering, and prediction for multiple functional data. This procedure acts as a model-based clustering method for functional data as well as a learning step for subsequent predictions for new tasks. The model is instantiated as a mixture of multi-task GPs with common mean processes. A variational EM algorithm is derived for dealing with the optimisation of the hyper-parameters along with the hyper-posteriors' estimation of latent variables and processes. We establish explicit formulas for integrating the mean processes and the latent clustering variables within a predictive distribution, accounting for uncertainty on both aspects. This distribution is defined as a mixture of cluster-specific GP predictions, which enhances the performances when dealing with group-structured data. The model handles irregular grid of observations and offers different hypotheses on the covariance structure for sharing additional information across tasks. The performances on both clustering and prediction tasks are assessed through various simulated scenarios and real datasets. The overall algorithm, called MagmaClust, is publicly available as an R package.

Understanding the gradient variance of black-box variational inference (BBVI) is a crucial step for establishing its convergence and developing algorithmic improvements. However, existing studies have yet to show that the gradient variance of BBVI satisfies the conditions used to study the convergence of stochastic gradient descent (SGD), the workhorse of BBVI. In this work, we show that BBVI satisfies a matching bound corresponding to the ABC condition used in the SGD literature when applied to smooth and quadratically-growing log-likelihoods. Our results generalize to nonlinear covariance parameterizations widely used in the practice of BBVI. Furthermore, we show that the variance of the mean-field parameterization has provably superior dimensional dependence.

Energy-based models (EBMs) are known in the Machine Learning community for decades. Since the seminal works devoted to EBMs dating back to the noughties, there have been a lot of efficient methods which solve the generative modelling problem by means of energy potentials (unnormalized likelihood functions). In contrast, the realm of Optimal Transport (OT) and, in particular, neural OT solvers is much less explored and limited by few recent works (excluding WGAN-based approaches which utilize OT as a loss function and do not model OT maps themselves). In our work, we bridge the gap between EBMs and Entropy-regularized OT. We present a novel methodology which allows utilizing the recent developments and technical improvements of the former in order to enrich the latter. From the theoretical perspective, we prove generalization bounds for our technique. In practice, we validate its applicability in toy 2D and image domains. To showcase the scalability, we empower our method with a pre-trained StyleGAN and apply it to high-res AFHQ 512times 512 unpaired I2I translation. For simplicity, we choose simple short- and long-run EBMs as a backbone of our Energy-guided Entropic OT approach, leaving the application of more sophisticated EBMs for future research. Our code is available at: https://github.com/PetrMokrov/Energy-guided-Entropic-OT

Vector Quantized Variational AutoEncoders (VQ-VAEs) are designed to compress a continuous input to a discrete latent space and reconstruct it with minimal distortion. They operate by maintaining a set of vectors -- often referred to as the codebook -- and quantizing each encoder output to the nearest vector in the codebook. However, as vector quantization is non-differentiable, the gradient to the encoder flows around the vector quantization layer rather than through it in a straight-through approximation. This approximation may be undesirable as all information from the vector quantization operation is lost. In this work, we propose a way to propagate gradients through the vector quantization layer of VQ-VAEs. We smoothly transform each encoder output into its corresponding codebook vector via a rotation and rescaling linear transformation that is treated as a constant during backpropagation. As a result, the relative magnitude and angle between encoder output and codebook vector becomes encoded into the gradient as it propagates through the vector quantization layer and back to the encoder. Across 11 different VQ-VAE training paradigms, we find this restructuring improves reconstruction metrics, codebook utilization, and quantization error. Our code is available at https://github.com/cfifty/rotation_trick.

During typical gradient-based training of deep neural networks, all of the model's parameters are updated at each iteration. Recent work has shown that it is possible to update only a small subset of the model's parameters during training, which can alleviate storage and communication requirements. In this paper, we show that it is possible to induce a fixed sparse mask on the model's parameters that selects a subset to update over many iterations. Our method constructs the mask out of the k parameters with the largest Fisher information as a simple approximation as to which parameters are most important for the task at hand. In experiments on parameter-efficient transfer learning and distributed training, we show that our approach matches or exceeds the performance of other methods for training with sparse updates while being more efficient in terms of memory usage and communication costs. We release our code publicly to promote further applications of our approach.

We propose a novel hierarchical Bayesian model for learning with a large (possibly infinite) number of tasks/episodes, which suits well the few-shot meta learning problem. We consider episode-wise random variables to model episode-specific target generative processes, where these local random variables are governed by a higher-level global random variate. The global variable helps memorize the important information from historic episodes while controlling how much the model needs to be adapted to new episodes in a principled Bayesian manner. Within our model framework, the prediction on a novel episode/task can be seen as a Bayesian inference problem. However, a main obstacle in learning with a large/infinite number of local random variables in online nature, is that one is not allowed to store the posterior distribution of the current local random variable for frequent future updates, typical in conventional variational inference. We need to be able to treat each local variable as a one-time iterate in the optimization. We propose a Normal-Inverse-Wishart model, for which we show that this one-time iterate optimization becomes feasible due to the approximate closed-form solutions for the local posterior distributions. The resulting algorithm is more attractive than the MAML in that it is not required to maintain computational graphs for the whole gradient optimization steps per episode. Our approach is also different from existing Bayesian meta learning methods in that unlike dealing with a single random variable for the whole episodes, our approach has a hierarchical structure that allows one-time episodic optimization, desirable for principled Bayesian learning with many/infinite tasks. The code is available at https://github.com/minyoungkim21/niwmeta.

Post-training plays a crucial role in refining and aligning large language models to meet specific tasks and human preferences. While recent advancements in post-training techniques, such as Group Relative Policy Optimization (GRPO), leverage increased sampling with relative reward scoring to achieve superior performance, these methods often suffer from training instability that limits their practical adoption. To address this challenge, we present Group Variance Policy Optimization (GVPO). GVPO incorporates the analytical solution to KL-constrained reward maximization directly into its gradient weights, ensuring alignment with the optimal policy. The method provides intuitive physical interpretations: its gradient mirrors the mean squared error between the central distance of implicit rewards and that of actual rewards. GVPO offers two key advantages: (1) it guarantees a unique optimal solution, exactly the KL-constrained reward maximization objective, (2) it supports flexible sampling distributions that avoids on-policy and importance sampling limitations. By unifying theoretical guarantees with practical adaptability, GVPO establishes a new paradigm for reliable and versatile LLM post-training.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

To achieve the highest perceptual quality, state-of-the-art diffusion models are optimized with objectives that typically look very different from the maximum likelihood and the Evidence Lower Bound (ELBO) objectives. In this work, we reveal that diffusion model objectives are actually closely related to the ELBO. Specifically, we show that all commonly used diffusion model objectives equate to a weighted integral of ELBOs over different noise levels, where the weighting depends on the specific objective used. Under the condition of monotonic weighting, the connection is even closer: the diffusion objective then equals the ELBO, combined with simple data augmentation, namely Gaussian noise perturbation. We show that this condition holds for a number of state-of-the-art diffusion models. In experiments, we explore new monotonic weightings and demonstrate their effectiveness, achieving state-of-the-art FID scores on the high-resolution ImageNet benchmark.

To measure the difference between two probability distributions, referred to as the source and target, respectively, we exploit both the chain rule and Bayes' theorem to construct conditional transport (CT), which is constituted by both a forward component and a backward one. The forward CT is the expected cost of moving a source data point to a target one, with their joint distribution defined by the product of the source probability density function (PDF) and a source-dependent conditional distribution, which is related to the target PDF via Bayes' theorem. The backward CT is defined by reversing the direction. The CT cost can be approximated by replacing the source and target PDFs with their discrete empirical distributions supported on mini-batches, making it amenable to implicit distributions and stochastic gradient descent-based optimization. When applied to train a generative model, CT is shown to strike a good balance between mode-covering and mode-seeking behaviors and strongly resist mode collapse. On a wide variety of benchmark datasets for generative modeling, substituting the default statistical distance of an existing generative adversarial network with CT is shown to consistently improve the performance. PyTorch code is provided.

Existing pre-trained models are generally geared towards a particular class of problems. To date, there seems to be still no consensus on what the right architecture and pre-training setup should be. This paper presents a unified framework for pre-training models that are universally effective across datasets and setups. We begin by disentangling architectural archetypes with pre-training objectives -- two concepts that are commonly conflated. Next, we present a generalized & unified perspective for self-supervision in NLP and show how different pre-training objectives can be cast as one another and how interpolating between different objectives can be effective. We then propose Mixture-of-Denoisers (MoD), a pre-training objective that combines diverse pre-training paradigms together. We furthermore introduce a notion of mode switching, wherein downstream fine-tuning is associated with specific pre-training schemes. We conduct extensive ablative experiments to compare multiple pre-training objectives and find that our method pushes the Pareto-frontier by outperforming T5 & GPT-like models across multiple diverse setups. By scaling our model up to 20B parameters, we achieve SOTA performance on 50 well-established supervised finetuning based NLP tasks. Our model also achieve strong results at in-context learning, outperforming 175B GPT-3 on zero-shot SuperGLUE and tripling the performance of T5-XXL on one-shot summarization. On 0-shot MMLU, UL2 20B outperforms T0 and T5 models. UL2 20B also works well with chain-of-thought prompting and reasoning, making it an appealing choice for research into reasoning at a small to medium scale of 20B parameters. Finally, we apply FLAN instruction tuning to the UL2 20B model, achieving MMLU and Big-Bench scores competitive to FLAN-PaLM 62B. We release Flax-based T5X checkpoints for the UL2 20B & Flan-UL2 20B.

Self-supervised learning excels at learning representations from large amounts of data. At the same time, generative models offer the complementary property of learning information about the underlying data generation process. In this study, we aim at establishing a principled connection between these two paradigms and highlight the benefits of their complementarity. In particular, we perform an analysis of self-supervised learning objectives, elucidating the underlying probabilistic graphical models and presenting a standardized methodology for their derivation from first principles. The analysis suggests a natural means of integrating self-supervised learning with likelihood-based generative models. We instantiate this concept within the realm of cluster-based self-supervised learning and energy models, introducing a lower bound proven to reliably penalize the most important failure modes and unlocking full unification. Our theoretical findings are substantiated through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, demonstrating that our objective function allows to jointly train a backbone network in a discriminative and generative fashion, consequently outperforming existing self-supervised learning strategies in terms of clustering, generation and out-of-distribution detection performance by a wide margin. We also demonstrate that the solution can be integrated into a neuro-symbolic framework to tackle a simple yet non-trivial instantiation of the symbol grounding problem. The code is publicly available at https://github.com/emsansone/GEDI.

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind the data. Although specific domain knowledge can be used to help design representations, learning with generic priors can also be used, and the quest for AI is motivating the design of more powerful representation-learning algorithms implementing such priors. This paper reviews recent work in the area of unsupervised feature learning and deep learning, covering advances in probabilistic models, auto-encoders, manifold learning, and deep networks. This motivates longer-term unanswered questions about the appropriate objectives for learning good representations, for computing representations (i.e., inference), and the geometrical connections between representation learning, density estimation and manifold learning.

We develop a method for generating causal post-hoc explanations of black-box classifiers based on a learned low-dimensional representation of the data. The explanation is causal in the sense that changing learned latent factors produces a change in the classifier output statistics. To construct these explanations, we design a learning framework that leverages a generative model and information-theoretic measures of causal influence. Our objective function encourages both the generative model to faithfully represent the data distribution and the latent factors to have a large causal influence on the classifier output. Our method learns both global and local explanations, is compatible with any classifier that admits class probabilities and a gradient, and does not require labeled attributes or knowledge of causal structure. Using carefully controlled test cases, we provide intuition that illuminates the function of our objective. We then demonstrate the practical utility of our method on image recognition tasks.

Masked Image Modeling (MIM) has emerged as a promising method for deriving visual representations from unlabeled image data by predicting missing pixels from masked portions of images. It excels in region-aware learning and provides strong initializations for various tasks, but struggles to capture high-level semantics without further supervised fine-tuning, likely due to the low-level nature of its pixel reconstruction objective. A promising yet unrealized framework is learning representations through masked reconstruction in latent space, combining the locality of MIM with the high-level targets. However, this approach poses significant training challenges as the reconstruction targets are learned in conjunction with the model, potentially leading to trivial or suboptimal solutions.Our study is among the first to thoroughly analyze and address the challenges of such framework, which we refer to as Latent MIM. Through a series of carefully designed experiments and extensive analysis, we identify the source of these challenges, including representation collapsing for joint online/target optimization, learning objectives, the high region correlation in latent space and decoding conditioning. By sequentially addressing these issues, we demonstrate that Latent MIM can indeed learn high-level representations while retaining the benefits of MIM models.

Visual model-based RL methods typically encode image observations into low-dimensional representations in a manner that does not eliminate redundant information. This leaves them susceptible to spurious variations -- changes in task-irrelevant components such as background distractors or lighting conditions. In this paper, we propose a visual model-based RL method that learns a latent representation resilient to such spurious variations. Our training objective encourages the representation to be maximally predictive of dynamics and reward, while constraining the information flow from the observation to the latent representation. We demonstrate that this objective significantly bolsters the resilience of visual model-based RL methods to visual distractors, allowing them to operate in dynamic environments. We then show that while the learned encoder is resilient to spirious variations, it is not invariant under significant distribution shift. To address this, we propose a simple reward-free alignment procedure that enables test time adaptation of the encoder. This allows for quick adaptation to widely differing environments without having to relearn the dynamics and policy. Our effort is a step towards making model-based RL a practical and useful tool for dynamic, diverse domains. We show its effectiveness in simulation benchmarks with significant spurious variations as well as a real-world egocentric navigation task with noisy TVs in the background. Videos and code at https://zchuning.github.io/repo-website/.

We develop an analytical framework to characterize the set of optimal ReLU neural networks by reformulating the non-convex training problem as a convex program. We show that the global optima of the convex parameterization are given by a polyhedral set and then extend this characterization to the optimal set of the non-convex training objective. Since all stationary points of the ReLU training problem can be represented as optima of sub-sampled convex programs, our work provides a general expression for all critical points of the non-convex objective. We then leverage our results to provide an optimal pruning algorithm for computing minimal networks, establish conditions for the regularization path of ReLU networks to be continuous, and develop sensitivity results for minimal ReLU networks.

Artificial intelligence onboard satellites has the potential to reduce data transmission requirements, enable real-time decision-making and collaboration within constellations. This study deploys a lightweight foundational model called RaVAEn on D-Orbit's ION SCV004 satellite. RaVAEn is a variational auto-encoder (VAE) that generates compressed latent vectors from small image tiles, enabling several downstream tasks. In this work we demonstrate the reliable use of RaVAEn onboard a satellite, achieving an encoding time of 0.110s for tiles of a 4.8x4.8 km^2 area. In addition, we showcase fast few-shot training onboard a satellite using the latent representation of data. We compare the deployment of the model on the on-board CPU and on the available Myriad vision processing unit (VPU) accelerator. To our knowledge, this work shows for the first time the deployment of a multi-task model on-board a CubeSat and the on-board training of a machine learning model.

We present a framework for the unsupervised learning of neurosymbolic encoders, which are encoders obtained by composing neural networks with symbolic programs from a domain-specific language. Our framework naturally incorporates symbolic expert knowledge into the learning process, which leads to more interpretable and factorized latent representations compared to fully neural encoders. We integrate modern program synthesis techniques with the variational autoencoding (VAE) framework, in order to learn a neurosymbolic encoder in conjunction with a standard decoder. The programmatic descriptions from our encoders can benefit many analysis workflows, such as in behavior modeling where interpreting agent actions and movements is important. We evaluate our method on learning latent representations for real-world trajectory data from animal biology and sports analytics. We show that our approach offers significantly better separation of meaningful categories than standard VAEs and leads to practical gains on downstream analysis tasks, such as for behavior classification.

Goal-oriented generative script learning aims to generate subsequent steps to reach a particular goal, which is an essential task to assist robots or humans in performing stereotypical activities. An important aspect of this process is the ability to capture historical states visually, which provides detailed information that is not covered by text and will guide subsequent steps. Therefore, we propose a new task, Multimedia Generative Script Learning, to generate subsequent steps by tracking historical states in both text and vision modalities, as well as presenting the first benchmark containing 5,652 tasks and 79,089 multimedia steps. This task is challenging in three aspects: the multimedia challenge of capturing the visual states in images, the induction challenge of performing unseen tasks, and the diversity challenge of covering different information in individual steps. We propose to encode visual state changes through a selective multimedia encoder to address the multimedia challenge, transfer knowledge from previously observed tasks using a retrieval-augmented decoder to overcome the induction challenge, and further present distinct information at each step by optimizing a diversity-oriented contrastive learning objective. We define metrics to evaluate both generation and inductive quality. Experiment results demonstrate that our approach significantly outperforms strong baselines.

Stability guarantees are crucial when ensuring a fully autonomous robot does not take undesirable or potentially harmful actions. Unfortunately, global stability guarantees are hard to provide in dynamical systems learned from data, especially when the learned dynamics are governed by neural networks. We propose a novel methodology to learn neural contractive dynamical systems, where our neural architecture ensures contraction, and hence, global stability. To efficiently scale the method to high-dimensional dynamical systems, we develop a variant of the variational autoencoder that learns dynamics in a low-dimensional latent representation space while retaining contractive stability after decoding. We further extend our approach to learning contractive systems on the Lie group of rotations to account for full-pose end-effector dynamic motions. The result is the first highly flexible learning architecture that provides contractive stability guarantees with capability to perform obstacle avoidance. Empirically, we demonstrate that our approach encodes the desired dynamics more accurately than the current state-of-the-art, which provides less strong stability guarantees.

We study a version of adversarial classification where an adversary is empowered to corrupt data inputs up to some distance varepsilon, using tools from variational analysis. In particular, we describe necessary conditions associated with the optimal classifier subject to such an adversary. Using the necessary conditions, we derive a geometric evolution equation which can be used to track the change in classification boundaries as varepsilon varies. This evolution equation may be described as an uncoupled system of differential equations in one dimension, or as a mean curvature type equation in higher dimension. In one dimension, and under mild assumptions on the data distribution, we rigorously prove that one can use the initial value problem starting from varepsilon=0, which is simply the Bayes classifier, in order to solve for the global minimizer of the adversarial problem for small values of varepsilon. In higher dimensions we provide a similar result, albeit conditional to the existence of regular solutions of the initial value problem. In the process of proving our main results we obtain a result of independent interest connecting the original adversarial problem with an optimal transport problem under no assumptions on whether classes are balanced or not. Numerical examples illustrating these ideas are also presented.

The past several years have witnessed Variational Auto-Encoder's superiority in various text generation tasks. However, due to the sequential nature of the text, auto-regressive decoders tend to ignore latent variables and then reduce to simple language models, known as the KL vanishing problem, which would further deteriorate when VAE is combined with Transformer-based structures. To ameliorate this problem, we propose DELLA, a novel variational Transformer framework. DELLA learns a series of layer-wise latent variables with each inferred from those of lower layers and tightly coupled with the hidden states by low-rank tensor product. In this way, DELLA forces these posterior latent variables to be fused deeply with the whole computation path and hence incorporate more information. We theoretically demonstrate that our method can be regarded as entangling latent variables to avoid posterior information decrease through layers, enabling DELLA to get higher non-zero KL values even without any annealing or thresholding tricks. Experiments on four unconditional and three conditional generation tasks show that DELLA could better alleviate KL vanishing and improve both quality and diversity compared to several strong baselines.

Learning useful representations without supervision remains a key challenge in machine learning. In this paper, we propose a simple yet powerful generative model that learns such discrete representations. Our model, the Vector Quantised-Variational AutoEncoder (VQ-VAE), differs from VAEs in two key ways: the encoder network outputs discrete, rather than continuous, codes; and the prior is learnt rather than static. In order to learn a discrete latent representation, we incorporate ideas from vector quantisation (VQ). Using the VQ method allows the model to circumvent issues of "posterior collapse" -- where the latents are ignored when they are paired with a powerful autoregressive decoder -- typically observed in the VAE framework. Pairing these representations with an autoregressive prior, the model can generate high quality images, videos, and speech as well as doing high quality speaker conversion and unsupervised learning of phonemes, providing further evidence of the utility of the learnt representations.

In order to develop machine learning and deep learning models that take into account the guidelines and principles of trustworthy AI, a novel information theoretic trustworthy AI framework is introduced. A unified approach to "privacy-preserving interpretable and transferable learning" is considered for studying and optimizing the tradeoffs between privacy, interpretability, and transferability aspects. A variational membership-mapping Bayesian model is used for the analytical approximations of the defined information theoretic measures for privacy-leakage, interpretability, and transferability. The approach consists of approximating the information theoretic measures via maximizing a lower-bound using variational optimization. The study presents a unified information theoretic approach to study different aspects of trustworthy AI in a rigorous analytical manner. The approach is demonstrated through numerous experiments on benchmark datasets and a real-world biomedical application concerned with the detection of mental stress on individuals using heart rate variability analysis.

Normalizing Flows explicitly maximize a full-dimensional likelihood on the training data. However, real data is typically only supported on a lower-dimensional manifold leading the model to expend significant compute on modeling noise. Injective Flows fix this by jointly learning a manifold and the distribution on it. So far, they have been limited by restrictive architectures and/or high computational cost. We lift both constraints by a new efficient estimator for the maximum likelihood loss, compatible with free-form bottleneck architectures. We further show that naively learning both the data manifold and the distribution on it can lead to divergent solutions, and use this insight to motivate a stable maximum likelihood training objective. We perform extensive experiments on toy, tabular and image data, demonstrating the competitive performance of the resulting model.

Diffusion models have emerged as a pivotal advancement in generative models, setting new standards to the quality of the generated instances. In the current paper we aim to underscore a discrepancy between conventional training methods and the desired conditional sampling behavior of these models. While the prevalent classifier-free guidance technique works well, it's not without flaws. At higher values for the guidance scale parameter w, we often get out of distribution samples and mode collapse, whereas at lower values for w we may not get the desired specificity. To address these challenges, we introduce an updated loss function that better aligns training objectives with sampling behaviors. Experimental validation with FID scores on CIFAR-10 elucidates our method's ability to produce higher quality samples with fewer sampling timesteps, and be more robust to the choice of guidance scale w. We also experiment with fine-tuning Stable Diffusion on the proposed loss, to provide early evidence that large diffusion models may also benefit from this refined loss function.

Classifier-Free Guidance (CFG) has been a default technique in various visual generative models, yet it requires inference from both conditional and unconditional models during sampling. We propose to build visual models that are free from guided sampling. The resulting algorithm, Guidance-Free Training (GFT), matches the performance of CFG while reducing sampling to a single model, halving the computational cost. Unlike previous distillation-based approaches that rely on pretrained CFG networks, GFT enables training directly from scratch. GFT is simple to implement. It retains the same maximum likelihood objective as CFG and differs mainly in the parameterization of conditional models. Implementing GFT requires only minimal modifications to existing codebases, as most design choices and hyperparameters are directly inherited from CFG. Our extensive experiments across five distinct visual models demonstrate the effectiveness and versatility of GFT. Across domains of diffusion, autoregressive, and masked-prediction modeling, GFT consistently achieves comparable or even lower FID scores, with similar diversity-fidelity trade-offs compared with CFG baselines, all while being guidance-free. Code will be available at https://github.com/thu-ml/GFT.

We study the problem of training a flow-based generative model, parametrized by a two-layer autoencoder, to sample from a high-dimensional Gaussian mixture. We provide a sharp end-to-end analysis of the problem. First, we provide a tight closed-form characterization of the learnt velocity field, when parametrized by a shallow denoising auto-encoder trained on a finite number n of samples from the target distribution. Building on this analysis, we provide a sharp description of the corresponding generative flow, which pushes the base Gaussian density forward to an approximation of the target density. In particular, we provide closed-form formulae for the distance between the mean of the generated mixture and the mean of the target mixture, which we show decays as Theta_n(1{n}). Finally, this rate is shown to be in fact Bayes-optimal.

A standard Variational Autoencoder, with a Euclidean latent space, is structurally incapable of capturing topological properties of certain datasets. To remove topological obstructions, we introduce Diffusion Variational Autoencoders with arbitrary manifolds as a latent space. A Diffusion Variational Autoencoder uses transition kernels of Brownian motion on the manifold. In particular, it uses properties of the Brownian motion to implement the reparametrization trick and fast approximations to the KL divergence. We show that the Diffusion Variational Autoencoder is capable of capturing topological properties of synthetic datasets. Additionally, we train MNIST on spheres, tori, projective spaces, SO(3), and a torus embedded in R3. Although a natural dataset like MNIST does not have latent variables with a clear-cut topological structure, training it on a manifold can still highlight topological and geometrical properties.

Self-supervised Learning (SSL) aims to learn transferable feature representations for downstream applications without relying on labeled data. The Barlow Twins algorithm, renowned for its widespread adoption and straightforward implementation compared to its counterparts like contrastive learning methods, minimizes feature redundancy while maximizing invariance to common corruptions. Optimizing for the above objective forces the network to learn useful representations, while avoiding noisy or constant features, resulting in improved downstream task performance with limited adaptation. Despite Barlow Twins' proven effectiveness in pre-training, the underlying SSL objective can inadvertently cause feature overfitting due to the lack of strong interaction between the samples unlike the contrastive learning approaches. From our experiments, we observe that optimizing for the Barlow Twins objective doesn't necessarily guarantee sustained improvements in representation quality beyond a certain pre-training phase, and can potentially degrade downstream performance on some datasets. To address this challenge, we introduce Mixed Barlow Twins, which aims to improve sample interaction during Barlow Twins training via linearly interpolated samples. This results in an additional regularization term to the original Barlow Twins objective, assuming linear interpolation in the input space translates to linearly interpolated features in the feature space. Pre-training with this regularization effectively mitigates feature overfitting and further enhances the downstream performance on CIFAR-10, CIFAR-100, TinyImageNet, STL-10, and ImageNet datasets. The code and checkpoints are available at: https://github.com/wgcban/mix-bt.git

The ability of Variational Autoencoders to learn disentangled representations has made them appealing for practical applications. However, their mean representations, which are generally used for downstream tasks, have recently been shown to be more correlated than their sampled counterpart, on which disentanglement is usually measured. In this paper, we refine this observation through the lens of selective posterior collapse, which states that only a subset of the learned representations, the active variables, is encoding useful information while the rest (the passive variables) is discarded. We first extend the existing definition to multiple data examples and show that active variables are equally disentangled in mean and sampled representations. Based on this extension and the pre-trained models from disentanglement lib, we then isolate the passive variables and show that they are responsible for the discrepancies between mean and sampled representations. Specifically, passive variables exhibit high correlation scores with other variables in mean representations while being fully uncorrelated in sampled ones. We thus conclude that despite what their higher correlation might suggest, mean representations are still good candidates for downstream tasks applications. However, it may be beneficial to remove their passive variables, especially when used with models sensitive to correlated features.

We introduce Temporal Variational Implicit Neural Representations (TV-INRs), a probabilistic framework for modeling irregular multivariate time series that enables efficient individualized imputation and forecasting. By integrating implicit neural representations with latent variable models, TV-INRs learn distributions over time-continuous generator functions conditioned on signal-specific covariates. Unlike existing approaches that require extensive training, fine-tuning or meta-learning, our method achieves accurate individualized predictions through a single forward pass. Our experiments demonstrate that with a single TV-INRs instance, we can accurately solve diverse imputation and forecasting tasks, offering a computationally efficient and scalable solution for real-world applications. TV-INRs excel especially in low-data regimes, where it outperforms existing methods by an order of magnitude in mean squared error for imputation task.

Current state-of-the-art solutions for motion capture from a single camera are optimization driven: they optimize the parameters of a 3D human model so that its re-projection matches measurements in the video (e.g. person segmentation, optical flow, keypoint detections etc.). Optimization models are susceptible to local minima. This has been the bottleneck that forced using clean green-screen like backgrounds at capture time, manual initialization, or switching to multiple cameras as input resource. In this work, we propose a learning based motion capture model for single camera input. Instead of optimizing mesh and skeleton parameters directly, our model optimizes neural network weights that predict 3D shape and skeleton configurations given a monocular RGB video. Our model is trained using a combination of strong supervision from synthetic data, and self-supervision from differentiable rendering of (a) skeletal keypoints, (b) dense 3D mesh motion, and (c) human-background segmentation, in an end-to-end framework. Empirically we show our model combines the best of both worlds of supervised learning and test-time optimization: supervised learning initializes the model parameters in the right regime, ensuring good pose and surface initialization at test time, without manual effort. Self-supervision by back-propagating through differentiable rendering allows (unsupervised) adaptation of the model to the test data, and offers much tighter fit than a pretrained fixed model. We show that the proposed model improves with experience and converges to low-error solutions where previous optimization methods fail.

We investigate the learning of implicit neural representation (INR) using an overparameterized multilayer perceptron (MLP) via a novel nonparametric teaching perspective. The latter offers an efficient example selection framework for teaching nonparametrically defined (viz. non-closed-form) target functions, such as image functions defined by 2D grids of pixels. To address the costly training of INRs, we propose a paradigm called Implicit Neural Teaching (INT) that treats INR learning as a nonparametric teaching problem, where the given signal being fitted serves as the target function. The teacher then selects signal fragments for iterative training of the MLP to achieve fast convergence. By establishing a connection between MLP evolution through parameter-based gradient descent and that of function evolution through functional gradient descent in nonparametric teaching, we show for the first time that teaching an overparameterized MLP is consistent with teaching a nonparametric learner. This new discovery readily permits a convenient drop-in of nonparametric teaching algorithms to broadly enhance INR training efficiency, demonstrating 30%+ training time savings across various input modalities.

Variational Autoencoders (VAEs) have gained significant popularity among researchers as a powerful tool for understanding unknown distributions based on limited samples. This popularity stems partly from their impressive performance and partly from their ability to provide meaningful feature representations in the latent space. Wasserstein Autoencoders (WAEs), a variant of VAEs, aim to not only improve model efficiency but also interpretability. However, there has been limited focus on analyzing their statistical guarantees. The matter is further complicated by the fact that the data distributions to which WAEs are applied - such as natural images - are often presumed to possess an underlying low-dimensional structure within a high-dimensional feature space, which current theory does not adequately account for, rendering known bounds inefficient. To bridge the gap between the theory and practice of WAEs, in this paper, we show that WAEs can learn the data distributions when the network architectures are properly chosen. We show that the convergence rates of the expected excess risk in the number of samples for WAEs are independent of the high feature dimension, instead relying only on the intrinsic dimension of the data distribution.

Text-guided image-to-image diffusion models excel in translating images based on textual prompts, allowing for precise and creative visual modifications. However, such a powerful technique can be misused for spreading misinformation, infringing on copyrights, and evading content tracing. This motivates us to introduce the task of origin IDentification for text-guided Image-to-image Diffusion models (ID^2), aiming to retrieve the original image of a given translated query. A straightforward solution to ID^2 involves training a specialized deep embedding model to extract and compare features from both query and reference images. However, due to visual discrepancy across generations produced by different diffusion models, this similarity-based approach fails when training on images from one model and testing on those from another, limiting its effectiveness in real-world applications. To solve this challenge of the proposed ID^2 task, we contribute the first dataset and a theoretically guaranteed method, both emphasizing generalizability. The curated dataset, OriPID, contains abundant Origins and guided Prompts, which can be used to train and test potential IDentification models across various diffusion models. In the method section, we first prove the existence of a linear transformation that minimizes the distance between the pre-trained Variational Autoencoder (VAE) embeddings of generated samples and their origins. Subsequently, it is demonstrated that such a simple linear transformation can be generalized across different diffusion models. Experimental results show that the proposed method achieves satisfying generalization performance, significantly surpassing similarity-based methods (+31.6% mAP), even those with generalization designs.

Gradient-based optimization has been critical to the success of machine learning, updating a single set of parameters to minimize a single loss. A growing number of applications rely on a generalization of this, where we have a bilevel or nested optimization of which subsets of parameters update on different objectives nested inside each other. We focus on motivating examples of hyperparameter optimization and generative adversarial networks. However, naively applying classical methods often fails when we look at solving these nested problems on a large scale. In this thesis, we build tools for nested optimization that scale to deep learning setups.

Despite their tremendous success in modelling high-dimensional data manifolds, deep neural networks suffer from the threat of adversarial attacks - Existence of perceptually valid input-like samples obtained through careful perturbation that lead to degradation in the performance of the underlying model. Major concerns with existing defense mechanisms include non-generalizability across different attacks, models and large inference time. In this paper, we propose a generalized defense mechanism capitalizing on the expressive power of regularized latent space based generative models. We design an adversarial filter, devoid of access to classifier and adversaries, which makes it usable in tandem with any classifier. The basic idea is to learn a Lipschitz constrained mapping from the data manifold, incorporating adversarial perturbations, to a quantized latent space and re-map it to the true data manifold. Specifically, we simultaneously auto-encode the data manifold and its perturbations implicitly through the perturbations of the regularized and quantized generative latent space, realized using variational inference. We demonstrate the efficacy of the proposed formulation in providing resilience against multiple attack types (black and white box) and methods, while being almost real-time. Our experiments show that the proposed method surpasses the state-of-the-art techniques in several cases.

Many approaches in generalized zero-shot learning rely on cross-modal mapping between the image feature space and the class embedding space. As labeled images are expensive, one direction is to augment the dataset by generating either images or image features. However, the former misses fine-grained details and the latter requires learning a mapping associated with class embeddings. In this work, we take feature generation one step further and propose a model where a shared latent space of image features and class embeddings is learned by modality-specific aligned variational autoencoders. This leaves us with the required discriminative information about the image and classes in the latent features, on which we train a softmax classifier. The key to our approach is that we align the distributions learned from images and from side-information to construct latent features that contain the essential multi-modal information associated with unseen classes. We evaluate our learned latent features on several benchmark datasets, i.e. CUB, SUN, AWA1 and AWA2, and establish a new state of the art on generalized zero-shot as well as on few-shot learning. Moreover, our results on ImageNet with various zero-shot splits show that our latent features generalize well in large-scale settings.

Generative Adversarial Networks (GANs) have achieved remarkable results in the task of generating realistic natural images. In most successful applications, GAN models share two common aspects: solving a challenging saddle point optimization problem, interpreted as an adversarial game between a generator and a discriminator functions; and parameterizing the generator and the discriminator as deep convolutional neural networks. The goal of this paper is to disentangle the contribution of these two factors to the success of GANs. In particular, we introduce Generative Latent Optimization (GLO), a framework to train deep convolutional generators using simple reconstruction losses. Throughout a variety of experiments, we show that GLO enjoys many of the desirable properties of GANs: synthesizing visually-appealing samples, interpolating meaningfully between samples, and performing linear arithmetic with noise vectors; all of this without the adversarial optimization scheme.

Generative Adversarial Imitation Learning (GAIL) is a powerful and practical approach for learning sequential decision-making policies. Different from Reinforcement Learning (RL), GAIL takes advantage of demonstration data by experts (e.g., human), and learns both the policy and reward function of the unknown environment. Despite the significant empirical progresses, the theory behind GAIL is still largely unknown. The major difficulty comes from the underlying temporal dependency of the demonstration data and the minimax computational formulation of GAIL without convex-concave structure. To bridge such a gap between theory and practice, this paper investigates the theoretical properties of GAIL. Specifically, we show: (1) For GAIL with general reward parameterization, the generalization can be guaranteed as long as the class of the reward functions is properly controlled; (2) For GAIL, where the reward is parameterized as a reproducing kernel function, GAIL can be efficiently solved by stochastic first order optimization algorithms, which attain sublinear convergence to a stationary solution. To the best of our knowledge, these are the first results on statistical and computational guarantees of imitation learning with reward/policy function approximation. Numerical experiments are provided to support our analysis.

We present weight normalization: a reparameterization of the weight vectors in a neural network that decouples the length of those weight vectors from their direction. By reparameterizing the weights in this way we improve the conditioning of the optimization problem and we speed up convergence of stochastic gradient descent. Our reparameterization is inspired by batch normalization but does not introduce any dependencies between the examples in a minibatch. This means that our method can also be applied successfully to recurrent models such as LSTMs and to noise-sensitive applications such as deep reinforcement learning or generative models, for which batch normalization is less well suited. Although our method is much simpler, it still provides much of the speed-up of full batch normalization. In addition, the computational overhead of our method is lower, permitting more optimization steps to be taken in the same amount of time. We demonstrate the usefulness of our method on applications in supervised image recognition, generative modelling, and deep reinforcement learning.

We propose a new dataset distillation algorithm using reparameterization and convexification of implicit gradients (RCIG), that substantially improves the state-of-the-art. To this end, we first formulate dataset distillation as a bi-level optimization problem. Then, we show how implicit gradients can be effectively used to compute meta-gradient updates. We further equip the algorithm with a convexified approximation that corresponds to learning on top of a frozen finite-width neural tangent kernel. Finally, we improve bias in implicit gradients by parameterizing the neural network to enable analytical computation of final-layer parameters given the body parameters. RCIG establishes the new state-of-the-art on a diverse series of dataset distillation tasks. Notably, with one image per class, on resized ImageNet, RCIG sees on average a 108% improvement over the previous state-of-the-art distillation algorithm. Similarly, we observed a 66% gain over SOTA on Tiny-ImageNet and 37% on CIFAR-100.

Training generative adversarial networks (GANs) with limited data is challenging because the discriminator is prone to overfitting. Previously proposed differentiable augmentation demonstrates improved data efficiency of training GANs. However, the augmentation implicitly introduces undesired invariance to augmentation for the discriminator since it ignores the change of semantics in the label space caused by data transformation, which may limit the representation learning ability of the discriminator and ultimately affect the generative modeling performance of the generator. To mitigate the negative impact of invariance while inheriting the benefits of data augmentation, we propose a novel augmentation-aware self-supervised discriminator that predicts the augmentation parameter of the augmented data. Particularly, the prediction targets of real data and generated data are required to be distinguished since they are different during training. We further encourage the generator to adversarially learn from the self-supervised discriminator by generating augmentation-predictable real and not fake data. This formulation connects the learning objective of the generator and the arithmetic - harmonic mean divergence under certain assumptions. We compare our method with state-of-the-art (SOTA) methods using the class-conditional BigGAN and unconditional StyleGAN2 architectures on data-limited CIFAR-10, CIFAR-100, FFHQ, LSUN-Cat, and five low-shot datasets. Experimental results demonstrate significant improvements of our method over SOTA methods in training data-efficient GANs.

Factorizing a large matrix into small matrices is a popular strategy for model compression. Singular value decomposition (SVD) plays a vital role in this compression strategy, approximating a learned matrix with fewer parameters. However, SVD minimizes the squared error toward reconstructing the original matrix without gauging the importance of the parameters, potentially giving a larger reconstruction error for those who affect the task accuracy more. In other words, the optimization objective of SVD is not aligned with the trained model's task accuracy. We analyze this previously unexplored problem, make observations, and address it by introducing Fisher information to weigh the importance of parameters affecting the model prediction. This idea leads to our method: Fisher-Weighted SVD (FWSVD). Although the factorized matrices from our approach do not result in smaller reconstruction errors, we find that our resulting task accuracy is much closer to the original model's performance. We perform analysis with the transformer-based language models, showing our weighted SVD largely alleviates the mismatched optimization objectives and can maintain model performance with a higher compression rate. Our method can directly compress a task-specific model while achieving better performance than other compact model strategies requiring expensive model pre-training. Moreover, the evaluation of compressing an already compact model shows our method can further reduce 9% to 30% parameters with an insignificant impact on task accuracy.

We develop a novel method for carrying out model selection for Bayesian autoencoders (BAEs) by means of prior hyper-parameter optimization. Inspired by the common practice of type-II maximum likelihood optimization and its equivalence to Kullback-Leibler divergence minimization, we propose to optimize the distributional sliced-Wasserstein distance (DSWD) between the output of the autoencoder and the empirical data distribution. The advantages of this formulation are that we can estimate the DSWD based on samples and handle high-dimensional problems. We carry out posterior estimation of the BAE parameters via stochastic gradient Hamiltonian Monte Carlo and turn our BAE into a generative model by fitting a flexible Dirichlet mixture model in the latent space. Consequently, we obtain a powerful alternative to variational autoencoders, which are the preferred choice in modern applications of autoencoders for representation learning with uncertainty. We evaluate our approach qualitatively and quantitatively using a vast experimental campaign on a number of unsupervised learning tasks and show that, in small-data regimes where priors matter, our approach provides state-of-the-art results, outperforming multiple competitive baselines.

A generative adversarial network (GAN) has been a representative backbone model in generative artificial intelligence (AI) because of its powerful performance in capturing intricate data-generating processes. However, the GAN training is well-known for its notorious training instability, usually characterized by the occurrence of mode collapse. Through the lens of gradients' variance, this work particularly analyzes the training instability and inefficiency in the presence of mode collapse by linking it to multimodality in the target distribution. To ease the raised training issues from severe multimodality, we introduce a novel GAN training framework that leverages a series of tempered distributions produced via convex interpolation. With our newly developed GAN objective function, the generator can learn all the tempered distributions simultaneously, conceptually resonating with the parallel tempering in Statistics. Our simulation studies demonstrate the superiority of our approach over existing popular training strategies in both image and tabular data synthesis. We theoretically analyze that such significant improvement can arise from reducing the variance of gradient estimates by using the tempered distributions. Finally, we further develop a variant of the proposed framework aimed at generating fair synthetic data which is one of the growing interests in the field of trustworthy AI.

Sampling from diffusion models involves a slow iterative process that hinders their practical deployment, especially for interactive applications. To accelerate generation speed, recent approaches distill a multi-step diffusion model into a single-step student generator via variational score distillation, which matches the distribution of samples generated by the student to the teacher's distribution. However, these approaches use the reverse Kullback-Leibler (KL) divergence for distribution matching which is known to be mode seeking. In this paper, we generalize the distribution matching approach using a novel f-divergence minimization framework, termed f-distill, that covers different divergences with different trade-offs in terms of mode coverage and training variance. We derive the gradient of the f-divergence between the teacher and student distributions and show that it is expressed as the product of their score differences and a weighting function determined by their density ratio. This weighting function naturally emphasizes samples with higher density in the teacher distribution, when using a less mode-seeking divergence. We observe that the popular variational score distillation approach using the reverse-KL divergence is a special case within our framework. Empirically, we demonstrate that alternative f-divergences, such as forward-KL and Jensen-Shannon divergences, outperform the current best variational score distillation methods across image generation tasks. In particular, when using Jensen-Shannon divergence, f-distill achieves current state-of-the-art one-step generation performance on ImageNet64 and zero-shot text-to-image generation on MS-COCO. Project page: https://research.nvidia.com/labs/genair/f-distill

A number of different architectures and loss functions have been applied to the problem of self-supervised learning (SSL), with the goal of developing embeddings that provide the best possible pre-training for as-yet-unknown, lightly supervised downstream tasks. One of these SSL criteria is to maximize the entropy of a set of embeddings in some compact space. But the goal of maximizing the embedding entropy often depends--whether explicitly or implicitly--upon high dimensional entropy estimates, which typically perform poorly in more than a few dimensions. In this paper, we motivate an effective entropy maximization criterion (E2MC), defined in terms of easy-to-estimate, low-dimensional constraints. We demonstrate that using it to continue training an already-trained SSL model for only a handful of epochs leads to a consistent and, in some cases, significant improvement in downstream performance. We perform careful ablation studies to show that the improved performance is due to the proposed add-on criterion. We also show that continued pre-training with alternative criteria does not lead to notable improvements, and in some cases, even degrades performance.

Graph Contrastive Learning (GCL) has emerged as a popular training approach for learning node embeddings from augmented graphs without labels. Despite the key principle that maximizing the similarity between positive node pairs while minimizing it between negative node pairs is well established, some fundamental problems are still unclear. Considering the complex graph structure, are some nodes consistently well-trained and following this principle even with different graph augmentations? Or are there some nodes more likely to be untrained across graph augmentations and violate the principle? How to distinguish these nodes and further guide the training of GCL? To answer these questions, we first present experimental evidence showing that the training of GCL is indeed imbalanced across all nodes. To address this problem, we propose the metric "node compactness", which is the lower bound of how a node follows the GCL principle related to the range of augmentations. We further derive the form of node compactness theoretically through bound propagation, which can be integrated into binary cross-entropy as a regularization. To this end, we propose the PrOvable Training (POT) for GCL, which regularizes the training of GCL to encode node embeddings that follows the GCL principle better. Through extensive experiments on various benchmarks, POT consistently improves the existing GCL approaches, serving as a friendly plugin.

Energy-Based Models (EBMs) have emerged as a powerful framework in the realm of generative modeling, offering a unique perspective that aligns closely with principles of statistical mechanics. This review aims to provide physicists with a comprehensive understanding of EBMs, delineating their connection to other generative models such as Generative Adversarial Networks (GANs), Variational Autoencoders (VAEs), and Normalizing Flows. We explore the sampling techniques crucial for EBMs, including Markov Chain Monte Carlo (MCMC) methods, and draw parallels between EBM concepts and statistical mechanics, highlighting the significance of energy functions and partition functions. Furthermore, we delve into state-of-the-art training methodologies for EBMs, covering recent advancements and their implications for enhanced model performance and efficiency. This review is designed to clarify the often complex interconnections between these models, which can be challenging due to the diverse communities working on the topic.

While most current approaches rely on further training techniques, such as fine-tuning or reinforcement learning, to enhance model capacities, model merging stands out for its ability of improving models without requiring any additional training. In this paper, we propose a unified framework for model merging based on low-rank estimation of task vectors without the need for access to the base model, named LoRE-Merging. Our approach is motivated by the observation that task vectors from fine-tuned models frequently exhibit a limited number of dominant singular values, making low-rank estimations less prone to interference. We implement the method by formulating the merging problem as an optimization problem. Extensive empirical experiments demonstrate the effectiveness of our framework in mitigating interference and preserving task-specific information, thereby advancing the state-of-the-art performance in model merging techniques.

Multi-task learning (MTL) compresses the information from multiple tasks into a unified backbone to improve computational efficiency and generalization. Recent work directly merges multiple independently trained models to perform MTL instead of collecting their raw data for joint training, greatly expanding the application scenarios of MTL. However, by visualizing the representation distribution of existing model merging schemes, we find that the merged model often suffers from the dilemma of representation bias. That is, there is a significant discrepancy in the representation distribution between the merged and individual models, resulting in poor performance of merged MTL. In this paper, we propose a representation surgery solution called "Surgery" to reduce representation bias in the merged model. Specifically, Surgery is a lightweight task-specific module that takes the representation of the merged model as input and attempts to output the biases contained in the representation from the merged model. We then designed an unsupervised optimization objective that updates the Surgery module by minimizing the distance between the merged model's representation and the individual model's representation. Extensive experiments demonstrate significant MTL performance improvements when our Surgery module is applied to state-of-the-art (SOTA) model merging schemes.

Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as a conditional generative modelling problem, where a large generative model over protein sequences is conditioned on the backbone. While these generative models very rapidly produce promising sequences, independent draws from generative models may fail to produce sequences that reliably fold to the correct backbone. Furthermore, it is challenging to adapt pure generative approaches to other settings, e.g., when constraints exist. In this paper, we cast the problem of improving generated inverse folds as an optimization problem that we solve using recent advances in "deep" or "latent space" Bayesian optimization. Our approach consistently produces protein sequences with greatly reduced structural error to the target backbone structure as measured by TM score and RMSD while using fewer computational resources. Additionally, we demonstrate other advantages of an optimization-based approach to the problem, such as the ability to handle constraints.

We propose a new regularization method based on virtual adversarial loss: a new measure of local smoothness of the conditional label distribution given input. Virtual adversarial loss is defined as the robustness of the conditional label distribution around each input data point against local perturbation. Unlike adversarial training, our method defines the adversarial direction without label information and is hence applicable to semi-supervised learning. Because the directions in which we smooth the model are only "virtually" adversarial, we call our method virtual adversarial training (VAT). The computational cost of VAT is relatively low. For neural networks, the approximated gradient of virtual adversarial loss can be computed with no more than two pairs of forward- and back-propagations. In our experiments, we applied VAT to supervised and semi-supervised learning tasks on multiple benchmark datasets. With a simple enhancement of the algorithm based on the entropy minimization principle, our VAT achieves state-of-the-art performance for semi-supervised learning tasks on SVHN and CIFAR-10.

We present a novel method for constructing Variational Autoencoder (VAE). Instead of using pixel-by-pixel loss, we enforce deep feature consistency between the input and the output of a VAE, which ensures the VAE's output to preserve the spatial correlation characteristics of the input, thus leading the output to have a more natural visual appearance and better perceptual quality. Based on recent deep learning works such as style transfer, we employ a pre-trained deep convolutional neural network (CNN) and use its hidden features to define a feature perceptual loss for VAE training. Evaluated on the CelebA face dataset, we show that our model produces better results than other methods in the literature. We also show that our method can produce latent vectors that can capture the semantic information of face expressions and can be used to achieve state-of-the-art performance in facial attribute prediction.

In a multi-task learning (MTL) setting, a single model is trained to tackle a diverse set of tasks jointly. Despite rapid progress in the field, MTL remains challenging due to optimization issues such as conflicting and dominating gradients. In this work, we propose using a condition number of a linear system of gradients as a stability criterion of an MTL optimization. We theoretically demonstrate that a condition number reflects the aforementioned optimization issues. Accordingly, we present Aligned-MTL, a novel MTL optimization approach based on the proposed criterion, that eliminates instability in the training process by aligning the orthogonal components of the linear system of gradients. While many recent MTL approaches guarantee convergence to a minimum, task trade-offs cannot be specified in advance. In contrast, Aligned-MTL provably converges to an optimal point with pre-defined task-specific weights, which provides more control over the optimization result. Through experiments, we show that the proposed approach consistently improves performance on a diverse set of MTL benchmarks, including semantic and instance segmentation, depth estimation, surface normal estimation, and reinforcement learning. The source code is publicly available at https://github.com/SamsungLabs/MTL .