Daily Papers

Congestion is a common failure mode of markets, where consumers compete inefficiently on the same subset of goods (e.g., chasing the same small set of properties on a vacation rental platform). The typical economic story is that prices solve this problem by balancing supply and demand in order to decongest the market. But in modern online marketplaces, prices are typically set in a decentralized way by sellers, with the power of a platform limited to controlling representations -- the information made available about products. This motivates the present study of decongestion by representation, where a platform uses this power to learn representations that improve social welfare by reducing congestion. The technical challenge is twofold: relying only on revealed preferences from users' past choices, rather than true valuations; and working with representations that determine which features to reveal and are inherently combinatorial. We tackle both by proposing a differentiable proxy of welfare that can be trained end-to-end on consumer choice data. We provide theory giving sufficient conditions for when decongestion promotes welfare, and present experiments on both synthetic and real data shedding light on our setting and approach.

Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while preserving the naturalness of these design spaces. Existing methods for achieving this goal often require ``differentiable'' proxy models (e.g., classifier guidance or DPS) or involve computationally expensive fine-tuning of diffusion models (e.g., classifier-free guidance, RL-based fine-tuning). In our work, we propose a new method to address these challenges. Our algorithm is an iterative sampling method that integrates soft value functions, which looks ahead to how intermediate noisy states lead to high rewards in the future, into the standard inference procedure of pre-trained diffusion models. Notably, our approach avoids fine-tuning generative models and eliminates the need to construct differentiable models. This enables us to (1) directly utilize non-differentiable features/reward feedback, commonly used in many scientific domains, and (2) apply our method to recent discrete diffusion models in a principled way. Finally, we demonstrate the effectiveness of our algorithm across several domains, including image generation, molecule generation, and DNA/RNA sequence generation. The code is available at https://github.com/masa-ue/SVDD{https://github.com/masa-ue/SVDD}.

Neural architecture search (NAS) has a great impact by automatically designing effective neural network architectures. However, the prohibitive computational demand of conventional NAS algorithms (e.g. 10^4 GPU hours) makes it difficult to directly search the architectures on large-scale tasks (e.g. ImageNet). Differentiable NAS can reduce the cost of GPU hours via a continuous representation of network architecture but suffers from the high GPU memory consumption issue (grow linearly w.r.t. candidate set size). As a result, they need to utilize~proxy tasks, such as training on a smaller dataset, or learning with only a few blocks, or training just for a few epochs. These architectures optimized on proxy tasks are not guaranteed to be optimal on the target task. In this paper, we present ProxylessNAS that can directly learn the architectures for large-scale target tasks and target hardware platforms. We address the high memory consumption issue of differentiable NAS and reduce the computational cost (GPU hours and GPU memory) to the same level of regular training while still allowing a large candidate set. Experiments on CIFAR-10 and ImageNet demonstrate the effectiveness of directness and specialization. On CIFAR-10, our model achieves 2.08\% test error with only 5.7M parameters, better than the previous state-of-the-art architecture AmoebaNet-B, while using 6times fewer parameters. On ImageNet, our model achieves 3.1\% better top-1 accuracy than MobileNetV2, while being 1.2times faster with measured GPU latency. We also apply ProxylessNAS to specialize neural architectures for hardware with direct hardware metrics (e.g. latency) and provide insights for efficient CNN architecture design.

Straight-through estimator (STE), which enables the gradient flow over the non-differentiable function via approximation, has been favored in studies related to quantization-aware training (QAT). However, STE incurs unstable convergence during QAT, resulting in notable quality degradation in low precision. Recently, pseudoquantization training has been proposed as an alternative approach to updating the learnable parameters using the pseudo-quantization noise instead of STE. In this study, we propose a novel noise proxy-based integrated pseudoquantization (NIPQ) that enables unified support of pseudoquantization for both activation and weight by integrating the idea of truncation on the pseudo-quantization framework. NIPQ updates all of the quantization parameters (e.g., bit-width and truncation boundary) as well as the network parameters via gradient descent without STE instability. According to our extensive experiments, NIPQ outperforms existing quantization algorithms in various vision and language applications by a large margin.

Latent Consistency Distillation (LCD) has emerged as a promising paradigm for efficient text-to-image synthesis. By distilling a latent consistency model (LCM) from a pre-trained teacher latent diffusion model (LDM), LCD facilitates the generation of high-fidelity images within merely 2 to 4 inference steps. However, the LCM's efficient inference is obtained at the cost of the sample quality. In this paper, we propose compensating the quality loss by aligning LCM's output with human preference during training. Specifically, we introduce Reward Guided LCD (RG-LCD), which integrates feedback from a reward model (RM) into the LCD process by augmenting the original LCD loss with the objective of maximizing the reward associated with LCM's single-step generation. As validated through human evaluation, when trained with the feedback of a good RM, the 2-step generations from our RG-LCM are favored by humans over the 50-step DDIM samples from the teacher LDM, representing a 25 times inference acceleration without quality loss. As directly optimizing towards differentiable RMs can suffer from over-optimization, we overcome this difficulty by proposing the use of a latent proxy RM (LRM). This novel component serves as an intermediary, connecting our LCM with the RM. Empirically, we demonstrate that incorporating the LRM into our RG-LCD successfully avoids high-frequency noise in the generated images, contributing to both improved FID on MS-COCO and a higher HPSv2.1 score on HPSv2's test set, surpassing those achieved by the baseline LCM.

Tabular data is prevalent in many high-stakes domains, such as financial services or public policy. Gradient Boosted Decision Trees (GBDT) are popular in these settings due to their scalability, performance, and low training cost. While fairness in these domains is a foremost concern, existing in-processing Fair ML methods are either incompatible with GBDT, or incur in significant performance losses while taking considerably longer to train. We present FairGBM, a dual ascent learning framework for training GBDT under fairness constraints, with little to no impact on predictive performance when compared to unconstrained GBDT. Since observational fairness metrics are non-differentiable, we propose smooth convex error rate proxies for common fairness criteria, enabling gradient-based optimization using a ``proxy-Lagrangian'' formulation. Our implementation shows an order of magnitude speedup in training time relative to related work, a pivotal aspect to foster the widespread adoption of FairGBM by real-world practitioners.

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.

Well-known activation functions like ReLU or Leaky ReLU are non-differentiable at the origin. Over the years, many smooth approximations of ReLU have been proposed using various smoothing techniques. We propose new smooth approximations of a non-differentiable activation function by convolving it with approximate identities. In particular, we present smooth approximations of Leaky ReLU and show that they outperform several well-known activation functions in various datasets and models. We call this function Smooth Activation Unit (SAU). Replacing ReLU by SAU, we get 5.12% improvement with ShuffleNet V2 (2.0x) model on CIFAR100 dataset.

We study the problem of efficiently generating differentially private synthetic data that approximate the statistical properties of an underlying sensitive dataset. In recent years, there has been a growing line of work that approaches this problem using first-order optimization techniques. However, such techniques are restricted to optimizing differentiable objectives only, severely limiting the types of analyses that can be conducted. For example, first-order mechanisms have been primarily successful in approximating statistical queries only in the form of marginals for discrete data domains. In some cases, one can circumvent such issues by relaxing the task's objective to maintain differentiability. However, even when possible, these approaches impose a fundamental limitation in which modifications to the minimization problem become additional sources of error. Therefore, we propose Private-GSD, a private genetic algorithm based on zeroth-order optimization heuristics that do not require modifying the original objective. As a result, it avoids the aforementioned limitations of first-order optimization. We empirically evaluate Private-GSD against baseline algorithms on data derived from the American Community Survey across a variety of statistics--otherwise known as statistical queries--both for discrete and real-valued attributes. We show that Private-GSD outperforms the state-of-the-art methods on non-differential queries while matching accuracy in approximating differentiable ones.

Differentiable particle filters are an emerging class of sequential Bayesian inference techniques that use neural networks to construct components in state space models. Existing approaches are mostly based on offline supervised training strategies. This leads to the delay of the model deployment and the obtained filters are susceptible to distribution shift of test-time data. In this paper, we propose an online learning framework for differentiable particle filters so that model parameters can be updated as data arrive. The technical constraint is that there is no known ground truth state information in the online inference setting. We address this by adopting an unsupervised loss to construct the online model updating procedure, which involves a sequence of filtering operations for online maximum likelihood-based parameter estimation. We empirically evaluate the effectiveness of the proposed method, and compare it with supervised learning methods in simulation settings including a multivariate linear Gaussian state-space model and a simulated object tracking experiment.

In this paper, we present RayTracer.jl, a renderer in Julia that is fully differentiable using source-to-source Automatic Differentiation (AD). This means that RayTracer not only renders 2D images from 3D scene parameters, but it can be used to optimize for model parameters that generate a target image in a Differentiable Programming (DP) pipeline. We interface our renderer with the deep learning library Flux for use in combination with neural networks. We demonstrate the use of this differentiable renderer in rendering tasks and in solving inverse graphics problems.

We propose nabla-RANSAC, a generalized differentiable RANSAC that allows learning the entire randomized robust estimation pipeline. The proposed approach enables the use of relaxation techniques for estimating the gradients in the sampling distribution, which are then propagated through a differentiable solver. The trainable quality function marginalizes over the scores from all the models estimated within nabla-RANSAC to guide the network learning accurate and useful inlier probabilities or to train feature detection and matching networks. Our method directly maximizes the probability of drawing a good hypothesis, allowing us to learn better sampling distribution. We test nabla-RANSAC on a number of real-world scenarios on fundamental and essential matrix estimation, both outdoors and indoors, with handcrafted and learning-based features. It is superior to the state-of-the-art in terms of accuracy while running at a similar speed to its less accurate alternatives. The code and trained models are available at https://github.com/weitong8591/differentiable_ransac.

We present a differentiable approach to learn the probabilistic factors used for inference by a nonparametric belief propagation algorithm. Existing nonparametric belief propagation methods rely on domain-specific features encoded in the probabilistic factors of a graphical model. In this work, we replace each crafted factor with a differentiable neural network enabling the factors to be learned using an efficient optimization routine from labeled data. By combining differentiable neural networks with an efficient belief propagation algorithm, our method learns to maintain a set of marginal posterior samples using end-to-end training. We evaluate our differentiable nonparametric belief propagation (DNBP) method on a set of articulated pose tracking tasks and compare performance with learned baselines. Results from these experiments demonstrate the effectiveness of using learned factors for tracking and suggest the practical advantage over hand-crafted approaches. The project webpage is available at: https://progress.eecs.umich.edu/projects/dnbp/ .

Discovering causal structures from data is a challenging inference problem of fundamental importance in all areas of science. The appealing properties of neural networks have recently led to a surge of interest in differentiable neural network-based methods for learning causal structures from data. So far, differentiable causal discovery has focused on static datasets of observational or fixed interventional origin. In this work, we introduce an active intervention targeting (AIT) method which enables a quick identification of the underlying causal structure of the data-generating process. Our method significantly reduces the required number of interactions compared with random intervention targeting and is applicable for both discrete and continuous optimization formulations of learning the underlying directed acyclic graph (DAG) from data. We examine the proposed method across multiple frameworks in a wide range of settings and demonstrate superior performance on multiple benchmarks from simulated to real-world data.

Simulating rare events, such as the transformation of a reactant into a product in a chemical reaction typically requires enhanced sampling techniques that rely on heuristically chosen collective variables (CVs). We propose using differentiable simulations (DiffSim) for the discovery and enhanced sampling of chemical transformations without a need to resort to preselected CVs, using only a distance metric. Reaction path discovery and estimation of the biasing potential that enhances the sampling are merged into a single end-to-end problem that is solved by path-integral optimization. This is achieved by introducing multiple improvements over standard DiffSim such as partial backpropagation and graph mini-batching making DiffSim training stable and efficient. The potential of DiffSim is demonstrated in the successful discovery of transition paths for the Muller-Brown model potential as well as a benchmark chemical system - alanine dipeptide.

Turing machine and decision tree have developed independently for a long time. With the recent development of differentiable models, there is an intersection between them. Neural turing machine(NTM) opens door for the memory network. It use differentiable attention mechanism to read/write external memory bank. Differentiable forest brings differentiable properties to classical decision tree. In this short note, we show the deep connection between these two models. That is: differentiable forest is a special case of NTM. Differentiable forest is actually decision tree based neural turing machine. Based on this deep connection, we propose a response augmented differential forest (RaDF). The controller of RaDF is differentiable forest, the external memory of RaDF are response vectors which would be read/write by leaf nodes.

Understanding and analyzing markets is crucial, yet analytical equilibrium solutions remain largely infeasible. Recent breakthroughs in equilibrium computation rely on zeroth-order policy gradient estimation. These approaches commonly suffer from high variance and are computationally expensive. The use of fully differentiable simulators would enable more efficient gradient estimation. However, the discrete allocation of goods in economic simulations is a non-differentiable operation. This renders the first-order Monte Carlo gradient estimator inapplicable and the learning feedback systematically misleading. We propose a novel smoothing technique that creates a surrogate market game, in which first-order methods can be applied. We provide theoretical bounds on the resulting bias which justifies solving the smoothed game instead. These bounds also allow choosing the smoothing strength a priori such that the resulting estimate has low variance. Furthermore, we validate our approach via numerous empirical experiments. Our method theoretically and empirically outperforms zeroth-order methods in approximation quality and computational efficiency.

The performance of machine learning models often degrades after deployment due to data distribution shifts. In many use cases, it is impossible to calculate the post-deployment performance because labels are unavailable or significantly delayed. Proxy methods for evaluating model performance stability, like drift detection techniques, do not properly quantify data distribution shift impact. As a solution, we propose a robust and accurate performance estimation method for evaluating ML classification models on unlabeled data that accurately quantifies the impact of covariate shift on model performance. We call it multi-calibrated confidence-based performance estimation (M-CBPE). It is model and data-type agnostic and works for any performance metric. It does not require access to the monitored model - it uses the model predictions and probability estimates. M-CBPE does not need user input on the nature of the covariate shift as it fully learns from the data. We evaluate it with over 600 dataset-model pairs from US census data and compare it with multiple benchmarks using several evaluation metrics. Results show that M-CBPE is the best method to estimate the performance of classification models in any evaluation context.

Inferring causal structures from experimentation is a central task in many domains. For example, in biology, recent advances allow us to obtain single-cell expression data under multiple interventions such as drugs or gene knockouts. However, the targets of the interventions are often uncertain or unknown and the number of observations limited. As a result, standard causal discovery methods can no longer be reliably used. To fill this gap, we propose a Bayesian framework (BaCaDI) for discovering and reasoning about the causal structure that underlies data generated under various unknown experimental or interventional conditions. BaCaDI is fully differentiable, which allows us to infer the complex joint posterior over the intervention targets and the causal structure via efficient gradient-based variational inference. In experiments on synthetic causal discovery tasks and simulated gene-expression data, BaCaDI outperforms related methods in identifying causal structures and intervention targets.

Data-based and learning-based sound source localization (SSL) has shown promising results in challenging conditions, and is commonly set as a classification or a regression problem. Regression-based approaches have certain advantages over classification-based, such as continuous direction-of-arrival estimation of static and moving sources. However, multi-source scenarios require multiple regressors without a clear training strategy up-to-date, that does not rely on auxiliary information such as simultaneous sound classification. We investigate end-to-end training of such methods with a technique recently proposed for video object detectors, adapted to the SSL setting. A differentiable network is constructed that can be plugged to the output of the localizer to solve the optimal assignment between predictions and references, optimizing directly the popular CLEAR-MOT tracking metrics. Results indicate large improvements over directly optimizing mean squared errors, in terms of localization error, detection metrics, and tracking capabilities.

Denoising diffusion models are a powerful type of generative models used to capture complex distributions of real-world signals. However, their applicability is limited to scenarios where training samples are readily available, which is not always the case in real-world applications. For example, in inverse graphics, the goal is to generate samples from a distribution of 3D scenes that align with a given image, but ground-truth 3D scenes are unavailable and only 2D images are accessible. To address this limitation, we propose a novel class of denoising diffusion probabilistic models that learn to sample from distributions of signals that are never directly observed. Instead, these signals are measured indirectly through a known differentiable forward model, which produces partial observations of the unknown signal. Our approach involves integrating the forward model directly into the denoising process. This integration effectively connects the generative modeling of observations with the generative modeling of the underlying signals, allowing for end-to-end training of a conditional generative model over signals. During inference, our approach enables sampling from the distribution of underlying signals that are consistent with a given partial observation. We demonstrate the effectiveness of our method on three challenging computer vision tasks. For instance, in the context of inverse graphics, our model enables direct sampling from the distribution of 3D scenes that align with a single 2D input image.

We introduce a theoretical framework for differentiable surface evolution that allows discrete topology changes through the use of topological derivatives for variational optimization of image functionals. While prior methods for inverse rendering of geometry rely on silhouette gradients for topology changes, such signals are sparse. In contrast, our theory derives topological derivatives that relate the introduction of vanishing holes and phases to changes in image intensity. As a result, we enable differentiable shape perturbations in the form of hole or phase nucleation. We validate the proposed theory with optimization of closed curves in 2D and surfaces in 3D to lend insights into limitations of current methods and enable improved applications such as image vectorization, vector-graphics generation from text prompts, single-image reconstruction of shape ambigrams and multi-view 3D reconstruction.

We propose a new differentiable probabilistic model over DAGs (DP-DAG). DP-DAG allows fast and differentiable DAG sampling suited to continuous optimization. To this end, DP-DAG samples a DAG by successively (1) sampling a linear ordering of the node and (2) sampling edges consistent with the sampled linear ordering. We further propose VI-DP-DAG, a new method for DAG learning from observational data which combines DP-DAG with variational inference. Hence,VI-DP-DAG approximates the posterior probability over DAG edges given the observed data. VI-DP-DAG is guaranteed to output a valid DAG at any time during training and does not require any complex augmented Lagrangian optimization scheme in contrast to existing differentiable DAG learning approaches. In our extensive experiments, we compare VI-DP-DAG to other differentiable DAG learning baselines on synthetic and real datasets. VI-DP-DAG significantly improves DAG structure and causal mechanism learning while training faster than competitors.

Directed acyclic graphs (DAGs) encode a lot of information about a particular distribution in their structure. However, compute required to infer these structures is typically super-exponential in the number of variables, as inference requires a sweep of a combinatorially large space of potential structures. That is, until recent advances made it possible to search this space using a differentiable metric, drastically reducing search time. While this technique -- named NOTEARS -- is widely considered a seminal work in DAG-discovery, it concedes an important property in favour of differentiability: transportability. To be transportable, the structures discovered on one dataset must apply to another dataset from the same domain. We introduce D-Struct which recovers transportability in the discovered structures through a novel architecture and loss function while remaining fully differentiable. Because D-Struct remains differentiable, our method can be easily adopted in existing differentiable architectures, as was previously done with NOTEARS. In our experiments, we empirically validate D-Struct with respect to edge accuracy and structural Hamming distance in a variety of settings.

Recently, diffusion models have made remarkable progress in text-to-image (T2I) generation, synthesizing images with high fidelity and diverse contents. Despite this advancement, latent space smoothness within diffusion models remains largely unexplored. Smooth latent spaces ensure that a perturbation on an input latent corresponds to a steady change in the output image. This property proves beneficial in downstream tasks, including image interpolation, inversion, and editing. In this work, we expose the non-smoothness of diffusion latent spaces by observing noticeable visual fluctuations resulting from minor latent variations. To tackle this issue, we propose Smooth Diffusion, a new category of diffusion models that can be simultaneously high-performing and smooth. Specifically, we introduce Step-wise Variation Regularization to enforce the proportion between the variations of an arbitrary input latent and that of the output image is a constant at any diffusion training step. In addition, we devise an interpolation standard deviation (ISTD) metric to effectively assess the latent space smoothness of a diffusion model. Extensive quantitative and qualitative experiments demonstrate that Smooth Diffusion stands out as a more desirable solution not only in T2I generation but also across various downstream tasks. Smooth Diffusion is implemented as a plug-and-play Smooth-LoRA to work with various community models. Code is available at https://github.com/SHI-Labs/Smooth-Diffusion.

Efficiently and flexibly estimating treatment effect heterogeneity is an important task in a wide variety of settings ranging from medicine to marketing, and there are a considerable number of promising conditional average treatment effect estimators currently available. These, however, typically rely on the assumption that the measured covariates are enough to justify conditional exchangeability. We propose the P-learner, motivated by the R- and DR-learner, a tailored two-stage loss function for learning heterogeneous treatment effects in settings where exchangeability given observed covariates is an implausible assumption, and we wish to rely on proxy variables for causal inference. Our proposed estimator can be implemented by off-the-shelf loss-minimizing machine learning methods, which in the case of kernel regression satisfies an oracle bound on the estimated error as long as the nuisance components are estimated reasonably well.

This paper investigates the distinctions between gradient methods applied to non-differentiable functions (NGDMs) and classical gradient descents (GDs) designed for differentiable functions. First, we demonstrate significant differences in the convergence properties of NGDMs compared to GDs, challenging the applicability of the extensive neural network convergence literature based on L-smoothness to non-smooth neural networks. Next, we demonstrate the paradoxical nature of NGDM solutions for L_{1}-regularized problems, showing that increasing the regularization penalty leads to an increase in the L_{1} norm of optimal solutions in NGDMs. Consequently, we show that widely adopted L_{1} penalization-based techniques for network pruning do not yield expected results. Finally, we explore the Edge of Stability phenomenon, indicating its inapplicability even to Lipschitz continuous convex differentiable functions, leaving its relevance to non-convex non-differentiable neural networks inconclusive. Our analysis exposes misguided interpretations of NGDMs in widely referenced papers and texts due to an overreliance on strong smoothness assumptions, emphasizing the necessity for a nuanced understanding of foundational assumptions in the analysis of these systems.

We introduce DIFFTACTILE, a physics-based differentiable tactile simulation system designed to enhance robotic manipulation with dense and physically accurate tactile feedback. In contrast to prior tactile simulators which primarily focus on manipulating rigid bodies and often rely on simplified approximations to model stress and deformations of materials in contact, DIFFTACTILE emphasizes physics-based contact modeling with high fidelity, supporting simulations of diverse contact modes and interactions with objects possessing a wide range of material properties. Our system incorporates several key components, including a Finite Element Method (FEM)-based soft body model for simulating the sensing elastomer, a multi-material simulator for modeling diverse object types (such as elastic, elastoplastic, cables) under manipulation, a penalty-based contact model for handling contact dynamics. The differentiable nature of our system facilitates gradient-based optimization for both 1) refining physical properties in simulation using real-world data, hence narrowing the sim-to-real gap and 2) efficient learning of tactile-assisted grasping and contact-rich manipulation skills. Additionally, we introduce a method to infer the optical response of our tactile sensor to contact using an efficient pixel-based neural module. We anticipate that DIFFTACTILE will serve as a useful platform for studying contact-rich manipulations, leveraging the benefits of dense tactile feedback and differentiable physics. Code and supplementary materials are available at the project website https://difftactile.github.io/.

Mixed-Precision Quantization~(MQ) can achieve a competitive accuracy-complexity trade-off for models. Conventional training-based search methods require time-consuming candidate training to search optimized per-layer bit-width configurations in MQ. Recently, some training-free approaches have presented various MQ proxies and significantly improve search efficiency. However, the correlation between these proxies and quantization accuracy is poorly understood. To address the gap, we first build the MQ-Bench-101, which involves different bit configurations and quantization results. Then, we observe that the existing training-free proxies perform weak correlations on the MQ-Bench-101. To efficiently seek superior proxies, we develop an automatic search of proxies framework for MQ via evolving algorithms. In particular, we devise an elaborate search space involving the existing proxies and perform an evolution search to discover the best correlated MQ proxy. We proposed a diversity-prompting selection strategy and compatibility screening protocol to avoid premature convergence and improve search efficiency. In this way, our Evolving proxies for Mixed-precision Quantization~(EMQ) framework allows the auto-generation of proxies without heavy tuning and expert knowledge. Extensive experiments on ImageNet with various ResNet and MobileNet families demonstrate that our EMQ obtains superior performance than state-of-the-art mixed-precision methods at a significantly reduced cost. The code will be released.

Accurate probabilistic predictions are essential for optimal decision making. While neural network miscalibration has been studied primarily in classification, we investigate this in the less-explored domain of regression. We conduct the largest empirical study to date to assess the probabilistic calibration of neural networks. We also analyze the performance of recalibration, conformal, and regularization methods to enhance probabilistic calibration. Additionally, we introduce novel differentiable recalibration and regularization methods, uncovering new insights into their effectiveness. Our findings reveal that regularization methods offer a favorable tradeoff between calibration and sharpness. Post-hoc methods exhibit superior probabilistic calibration, which we attribute to the finite-sample coverage guarantee of conformal prediction. Furthermore, we demonstrate that quantile recalibration can be considered as a specific case of conformal prediction. Our study is fully reproducible and implemented in a common code base for fair comparisons.

We introduce infty-Diff, a generative diffusion model which directly operates on infinite resolution data. By randomly sampling subsets of coordinates during training and learning to denoise the content at those coordinates, a continuous function is learned that allows sampling at arbitrary resolutions. In contrast to other recent infinite resolution generative models, our approach operates directly on the raw data, not requiring latent vector compression for context, using hypernetworks, nor relying on discrete components. As such, our approach achieves significantly higher sample quality, as evidenced by lower FID scores, as well as being able to effectively scale to higher resolutions than the training data while retaining detail.

Optimization and generalization are two essential aspects of statistical machine learning. In this paper, we propose a framework to connect optimization with generalization by analyzing the generalization error based on the optimization trajectory under the gradient flow algorithm. The key ingredient of this framework is the Uniform-LGI, a property that is generally satisfied when training machine learning models. Leveraging the Uniform-LGI, we first derive convergence rates for gradient flow algorithm, then we give generalization bounds for a large class of machine learning models. We further apply our framework to three distinct machine learning models: linear regression, kernel regression, and two-layer neural networks. Through our approach, we obtain generalization estimates that match or extend previous results.

Recent work has shown that forward- and reverse- mode automatic differentiation (AD) over the reals is almost always correct in a mathematically precise sense. However, actual programs work with machine-representable numbers (e.g., floating-point numbers), not reals. In this paper, we study the correctness of AD when the parameter space of a neural network consists solely of machine-representable numbers. In particular, we analyze two sets of parameters on which AD can be incorrect: the incorrect set on which the network is differentiable but AD does not compute its derivative, and the non-differentiable set on which the network is non-differentiable. For a neural network with bias parameters, we first prove that the incorrect set is always empty. We then prove a tight bound on the size of the non-differentiable set, which is linear in the number of non-differentiabilities in activation functions, and give a simple necessary and sufficient condition for a parameter to be in this set. We further prove that AD always computes a Clarke subderivative even on the non-differentiable set. We also extend these results to neural networks possibly without bias parameters.

Due to the unsupervised nature of anomaly detection, the key to fueling deep models is finding supervisory signals. Different from current reconstruction-guided generative models and transformation-based contrastive models, we devise novel data-driven supervision for tabular data by introducing a characteristic -- scale -- as data labels. By representing varied sub-vectors of data instances, we define scale as the relationship between the dimensionality of original sub-vectors and that of representations. Scales serve as labels attached to transformed representations, thus offering ample labeled data for neural network training. This paper further proposes a scale learning-based anomaly detection method. Supervised by the learning objective of scale distribution alignment, our approach learns the ranking of representations converted from varied subspaces of each data instance. Through this proxy task, our approach models inherent regularities and patterns within data, which well describes data "normality". Abnormal degrees of testing instances are obtained by measuring whether they fit these learned patterns. Extensive experiments show that our approach leads to significant improvement over state-of-the-art generative/contrastive anomaly detection methods.

The machine learning community is increasingly recognizing the importance of fostering trust and safety in modern generative AI (GenAI) models. We posit machine unlearning (MU) as a crucial foundation for developing safe, secure, and trustworthy GenAI models. Traditional MU methods often rely on stringent assumptions and require access to real data. This paper introduces Score Forgetting Distillation (SFD), an innovative MU approach that promotes the forgetting of undesirable information in diffusion models by aligning the conditional scores of "unsafe" classes or concepts with those of "safe" ones. To eliminate the need for real data, our SFD framework incorporates a score-based MU loss into the score distillation objective of a pretrained diffusion model. This serves as a regularization term that preserves desired generation capabilities while enabling the production of synthetic data through a one-step generator. Our experiments on pretrained label-conditional and text-to-image diffusion models demonstrate that our method effectively accelerates the forgetting of target classes or concepts during generation, while preserving the quality of other classes or concepts. This unlearned and distilled diffusion not only pioneers a novel concept in MU but also accelerates the generation speed of diffusion models. Our experiments and studies on a range of diffusion models and datasets confirm that our approach is generalizable, effective, and advantageous for MU in diffusion models. (Warning: This paper contains sexually explicit imagery, discussions of pornography, racially-charged terminology, and other content that some readers may find disturbing, distressing, and/or offensive.)

Despite increasing progress in development of methods for generating visual counterfactual explanations, especially with the recent rise of Denoising Diffusion Probabilistic Models, previous works consider them as an entirely local technique. In this work, we take the first step at globalizing them. Specifically, we discover that the latent space of Diffusion Autoencoders encodes the inference process of a given classifier in the form of global directions. We propose a novel proxy-based approach that discovers two types of these directions with the use of only single image in an entirely black-box manner. Precisely, g-directions allow for flipping the decision of a given classifier on an entire dataset of images, while h-directions further increase the diversity of explanations. We refer to them in general as Global Counterfactual Directions (GCDs). Moreover, we show that GCDs can be naturally combined with Latent Integrated Gradients resulting in a new black-box attribution method, while simultaneously enhancing the understanding of counterfactual explanations. We validate our approach on existing benchmarks and show that it generalizes to real-world use-cases.

Existing diffusion-based text-to-3D generation methods primarily focus on producing visually realistic shapes and appearances, often neglecting the physical constraints necessary for downstream tasks. Generated models frequently fail to maintain balance when placed in physics-based simulations or 3D printed. This balance is crucial for satisfying user design intentions in interactive gaming, embodied AI, and robotics, where stable models are needed for reliable interaction. Additionally, stable models ensure that 3D-printed objects, such as figurines for home decoration, can stand on their own without requiring additional supports. To fill this gap, we introduce Atlas3D, an automatic and easy-to-implement method that enhances existing Score Distillation Sampling (SDS)-based text-to-3D tools. Atlas3D ensures the generation of self-supporting 3D models that adhere to physical laws of stability under gravity, contact, and friction. Our approach combines a novel differentiable simulation-based loss function with physically inspired regularization, serving as either a refinement or a post-processing module for existing frameworks. We verify Atlas3D's efficacy through extensive generation tasks and validate the resulting 3D models in both simulated and real-world environments.

Differentiable sorting algorithms allow training with sorting and ranking supervision, where only the ordering or ranking of samples is known. Various methods have been proposed to address this challenge, ranging from optimal transport-based differentiable Sinkhorn sorting algorithms to making classic sorting networks differentiable. One problem of current differentiable sorting methods is that they are non-monotonic. To address this issue, we propose a novel relaxation of conditional swap operations that guarantees monotonicity in differentiable sorting networks. We introduce a family of sigmoid functions and prove that they produce differentiable sorting networks that are monotonic. Monotonicity ensures that the gradients always have the correct sign, which is an advantage in gradient-based optimization. We demonstrate that monotonic differentiable sorting networks improve upon previous differentiable sorting methods.

We show how to transform a non-differentiable rasterizer into a differentiable one with minimal engineering efforts and no external dependencies (no Pytorch/Tensorflow). We rely on Stochastic Gradient Estimation, a technique that consists of rasterizing after randomly perturbing the scene's parameters such that their gradient can be stochastically estimated and descended. This method is simple and robust but does not scale in dimensionality (number of scene parameters). Our insight is that the number of parameters contributing to a given rasterized pixel is bounded. Estimating and averaging gradients on a per-pixel basis hence bounds the dimensionality of the underlying optimization problem and makes the method scalable. Furthermore, it is simple to track per-pixel contributing parameters by rasterizing ID- and UV-buffers, which are trivial additions to a rasterization engine if not already available. With these minor modifications, we obtain an in-engine optimizer for 3D assets with millions of geometry and texture parameters.

Graph convolutional networks (GCNs) enable end-to-end learning on graph structured data. However, many works assume a given graph structure. When the input graph is noisy or unavailable, one approach is to construct or learn a latent graph structure. These methods typically fix the choice of node degree for the entire graph, which is suboptimal. Instead, we propose a novel end-to-end differentiable graph generator which builds graph topologies where each node selects both its neighborhood and its size. Our module can be readily integrated into existing pipelines involving graph convolution operations, replacing the predetermined or existing adjacency matrix with one that is learned, and optimized, as part of the general objective. As such it is applicable to any GCN. We integrate our module into trajectory prediction, point cloud classification and node classification pipelines resulting in improved accuracy over other structure-learning methods across a wide range of datasets and GCN backbones.

Domain generalization (DG) aims to learn a robust model from source domains that generalize well on unseen target domains. Recent studies focus on generating novel domain samples or features to diversify distributions complementary to source domains. Yet, these approaches can hardly deal with the restriction that the samples synthesized from various domains can cause semantic distortion. In this paper, we propose an online one-stage Cross Contrasting Feature Perturbation (CCFP) framework to simulate domain shift by generating perturbed features in the latent space while regularizing the model prediction against domain shift. Different from the previous fixed synthesizing strategy, we design modules with learnable feature perturbations and semantic consistency constraints. In contrast to prior work, our method does not use any generative-based models or domain labels. We conduct extensive experiments on a standard DomainBed benchmark with a strict evaluation protocol for a fair comparison. Comprehensive experiments show that our method outperforms the previous state-of-the-art, and quantitative analyses illustrate that our approach can alleviate the domain shift problem in out-of-distribution (OOD) scenarios.

Federated Learning (FL) is a decentralized machine-learning paradigm, in which a global server iteratively averages the model parameters of local users without accessing their data. User heterogeneity has imposed significant challenges to FL, which can incur drifted global models that are slow to converge. Knowledge Distillation has recently emerged to tackle this issue, by refining the server model using aggregated knowledge from heterogeneous users, other than directly averaging their model parameters. This approach, however, depends on a proxy dataset, making it impractical unless such a prerequisite is satisfied. Moreover, the ensemble knowledge is not fully utilized to guide local model learning, which may in turn affect the quality of the aggregated model. Inspired by the prior art, we propose a data-free knowledge distillation} approach to address heterogeneous FL, where the server learns a lightweight generator to ensemble user information in a data-free manner, which is then broadcasted to users, regulating local training using the learned knowledge as an inductive bias. Empirical studies powered by theoretical implications show that, our approach facilitates FL with better generalization performance using fewer communication rounds, compared with the state-of-the-art.

Colloquially speaking, image generation models based upon diffusion processes are frequently said to exhibit "hallucinations," samples that could never occur in the training data. But where do such hallucinations come from? In this paper, we study a particular failure mode in diffusion models, which we term mode interpolation. Specifically, we find that diffusion models smoothly "interpolate" between nearby data modes in the training set, to generate samples that are completely outside the support of the original training distribution; this phenomenon leads diffusion models to generate artifacts that never existed in real data (i.e., hallucinations). We systematically study the reasons for, and the manifestation of this phenomenon. Through experiments on 1D and 2D Gaussians, we show how a discontinuous loss landscape in the diffusion model's decoder leads to a region where any smooth approximation will cause such hallucinations. Through experiments on artificial datasets with various shapes, we show how hallucination leads to the generation of combinations of shapes that never existed. Finally, we show that diffusion models in fact know when they go out of support and hallucinate. This is captured by the high variance in the trajectory of the generated sample towards the final few backward sampling process. Using a simple metric to capture this variance, we can remove over 95% of hallucinations at generation time while retaining 96% of in-support samples. We conclude our exploration by showing the implications of such hallucination (and its removal) on the collapse (and stabilization) of recursive training on synthetic data with experiments on MNIST and 2D Gaussians dataset. We release our code at https://github.com/locuslab/diffusion-model-hallucination.

Robustness is essential for deep neural networks, especially in security-sensitive applications. To this end, randomized smoothing provides theoretical guarantees for certifying robustness against adversarial perturbations. Recently, diffusion models have been successfully employed for randomized smoothing to purify noise-perturbed samples before making predictions with a standard classifier. While these methods excel at small perturbation radii, they struggle with larger perturbations and incur a significant computational overhead during inference compared to classical methods. To address this, we reformulate the generative modeling task along the diffusion trajectories in pixel space as a discriminative task in the latent space. Specifically, we use instance discrimination to achieve consistent representations along the trajectories by aligning temporally adjacent points. After fine-tuning based on the learned representations, our model enables implicit denoising-then-classification via a single prediction, substantially reducing inference costs. We conduct extensive experiments on various datasets and achieve state-of-the-art performance with minimal computation budget during inference. For example, our method outperforms the certified accuracy of diffusion-based methods on ImageNet across all perturbation radii by 5.3% on average, with up to 11.6% at larger radii, while reducing inference costs by 85times on average. Codes are available at: https://github.com/jiachenlei/rRCM.

Differentiable neural architecture search methods became popular in recent years, mainly due to their low search costs and flexibility in designing the search space. However, these methods suffer the difficulty in optimizing network, so that the searched network is often unfriendly to hardware. This paper deals with this problem by adding a differentiable latency loss term into optimization, so that the search process can tradeoff between accuracy and latency with a balancing coefficient. The core of latency prediction is to encode each network architecture and feed it into a multi-layer regressor, with the training data which can be easily collected from randomly sampling a number of architectures and evaluating them on the hardware. We evaluate our approach on NVIDIA Tesla-P100 GPUs. With 100K sampled architectures (requiring a few hours), the latency prediction module arrives at a relative error of lower than 10%. Equipped with this module, the search method can reduce the latency by 20% meanwhile preserving the accuracy. Our approach also enjoys the ability of being transplanted to a wide range of hardware platforms with very few efforts, or being used to optimizing other non-differentiable factors such as power consumption.

Backdoor inversion, the process of finding a backdoor trigger inserted into a machine learning model, has become the pillar of many backdoor detection and defense methods. Previous works on backdoor inversion often recover the backdoor through an optimization process to flip a support set of clean images into the target class. However, it is rarely studied and understood how large this support set should be to recover a successful backdoor. In this work, we show that one can reliably recover the backdoor trigger with as few as a single image. Specifically, we propose the SmoothInv method, which first constructs a robust smoothed version of the backdoored classifier and then performs guided image synthesis towards the target class to reveal the backdoor pattern. SmoothInv requires neither an explicit modeling of the backdoor via a mask variable, nor any complex regularization schemes, which has become the standard practice in backdoor inversion methods. We perform both quantitaive and qualitative study on backdoored classifiers from previous published backdoor attacks. We demonstrate that compared to existing methods, SmoothInv is able to recover successful backdoors from single images, while maintaining high fidelity to the original backdoor. We also show how we identify the target backdoored class from the backdoored classifier. Last, we propose and analyze two countermeasures to our approach and show that SmoothInv remains robust in the face of an adaptive attacker. Our code is available at https://github.com/locuslab/smoothinv .

Federated Learning (FL) has recently emerged as a promising distributed machine learning framework to preserve clients' privacy, by allowing multiple clients to upload the gradients calculated from their local data to a central server. Recent studies find that the exchanged gradients also take the risk of privacy leakage, e.g., an attacker can invert the shared gradients and recover sensitive data against an FL system by leveraging pre-trained generative adversarial networks (GAN) as prior knowledge. However, performing gradient inversion attacks in the latent space of the GAN model limits their expression ability and generalizability. To tackle these challenges, we propose Gradient Inversion over Feature Domains (GIFD), which disassembles the GAN model and searches the feature domains of the intermediate layers. Instead of optimizing only over the initial latent code, we progressively change the optimized layer, from the initial latent space to intermediate layers closer to the output images. In addition, we design a regularizer to avoid unreal image generation by adding a small {l_1} ball constraint to the searching range. We also extend GIFD to the out-of-distribution (OOD) setting, which weakens the assumption that the training sets of GANs and FL tasks obey the same data distribution. Extensive experiments demonstrate that our method can achieve pixel-level reconstruction and is superior to the existing methods. Notably, GIFD also shows great generalizability under different defense strategy settings and batch sizes.

Differentiable physics enables efficient gradient-based optimizations of neural network (NN) controllers. However, existing work typically only delivers NN controllers with limited capability and generalizability. We present a practical learning framework that outputs unified NN controllers capable of tasks with significantly improved complexity and diversity. To systematically improve training robustness and efficiency, we investigated a suite of improvements over the baseline approach, including periodic activation functions, and tailored loss functions. In addition, we find our adoption of batching and an Adam optimizer effective in training complex locomotion tasks. We evaluate our framework on differentiable mass-spring and material point method (MPM) simulations, with challenging locomotion tasks and multiple robot designs. Experiments show that our learning framework, based on differentiable physics, delivers better results than reinforcement learning and converges much faster. We demonstrate that users can interactively control soft robot locomotion and switch among multiple goals with specified velocity, height, and direction instructions using a unified NN controller trained in our system. Code is available at https://github.com/erizmr/Complex-locomotion-skill-learning-via-differentiable-physics.

Differentiable programming techniques are widely used in the community and are responsible for the machine learning renaissance of the past several decades. While these methods are powerful, they have limits. In this short report, we discuss a common chaos based failure mode which appears in a variety of differentiable circumstances, ranging from recurrent neural networks and numerical physics simulation to training learned optimizers. We trace this failure to the spectrum of the Jacobian of the system under study, and provide criteria for when a practitioner might expect this failure to spoil their differentiation based optimization algorithms.

We first propose a decentralized proximal stochastic gradient tracking method (DProxSGT) for nonconvex stochastic composite problems, with data heterogeneously distributed on multiple workers in a decentralized connected network. To save communication cost, we then extend DProxSGT to a compressed method by compressing the communicated information. Both methods need only O(1) samples per worker for each proximal update, which is important to achieve good generalization performance on training deep neural networks. With a smoothness condition on the expected loss function (but not on each sample function), the proposed methods can achieve an optimal sample complexity result to produce a near-stationary point. Numerical experiments on training neural networks demonstrate the significantly better generalization performance of our methods over large-batch training methods and momentum variance-reduction methods and also, the ability of handling heterogeneous data by the gradient tracking scheme.

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.

Label smoothing -- using softened labels instead of hard ones -- is a widely adopted regularization method for deep learning, showing diverse benefits such as enhanced generalization and calibration. Its implications for preserving model privacy, however, have remained unexplored. To fill this gap, we investigate the impact of label smoothing on model inversion attacks (MIAs), which aim to generate class-representative samples by exploiting the knowledge encoded in a classifier, thereby inferring sensitive information about its training data. Through extensive analyses, we uncover that traditional label smoothing fosters MIAs, thereby increasing a model's privacy leakage. Even more, we reveal that smoothing with negative factors counters this trend, impeding the extraction of class-related information and leading to privacy preservation, beating state-of-the-art defenses. This establishes a practical and powerful novel way for enhancing model resilience against MIAs.

Off-policy learning (OPL) aims at finding improved policies from logged bandit data, often by minimizing the inverse propensity scoring (IPS) estimator of the risk. In this work, we investigate a smooth regularization for IPS, for which we derive a two-sided PAC-Bayes generalization bound. The bound is tractable, scalable, interpretable and provides learning certificates. In particular, it is also valid for standard IPS without making the assumption that the importance weights are bounded. We demonstrate the relevance of our approach and its favorable performance through a set of learning tasks. Since our bound holds for standard IPS, we are able to provide insight into when regularizing IPS is useful. Namely, we identify cases where regularization might not be needed. This goes against the belief that, in practice, clipped IPS often enjoys favorable performance than standard IPS in OPL.

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.

Denoising Diffusion Probabilistic Models have shown an impressive generation quality, although their long sampling chain leads to high computational costs. In this paper, we observe that a long sampling chain also leads to an error accumulation phenomenon, which is similar to the exposure bias problem in autoregressive text generation. Specifically, we note that there is a discrepancy between training and testing, since the former is conditioned on the ground truth samples, while the latter is conditioned on the previously generated results. To alleviate this problem, we propose a very simple but effective training regularization, consisting in perturbing the ground truth samples to simulate the inference time prediction errors. We empirically show that, without affecting the recall and precision, the proposed input perturbation leads to a significant improvement in the sample quality while reducing both the training and the inference times. For instance, on CelebA 64times64, we achieve a new state-of-the-art FID score of 1.27, while saving 37.5% of the training time. The code is publicly available at https://github.com/forever208/DDPM-IP

Recent work has shown promising results in causal discovery by leveraging interventional data with gradient-based methods, even when the intervened variables are unknown. However, previous work assumes that the correspondence between samples and interventions is known, which is often unrealistic. We envision a scenario with an extensive dataset sampled from multiple intervention distributions and one observation distribution, but where we do not know which distribution originated each sample and how the intervention affected the system, i.e., interventions are entirely latent. We propose a method based on neural networks and variational inference that addresses this scenario by framing it as learning a shared causal graph among an infinite mixture (under a Dirichlet process prior) of intervention structural causal models. Experiments with synthetic and real data show that our approach and its semi-supervised variant are able to discover causal relations in this challenging scenario.

Categorical variables are a natural choice for representing discrete structure in the world. However, stochastic neural networks rarely use categorical latent variables due to the inability to backpropagate through samples. In this work, we present an efficient gradient estimator that replaces the non-differentiable sample from a categorical distribution with a differentiable sample from a novel Gumbel-Softmax distribution. This distribution has the essential property that it can be smoothly annealed into a categorical distribution. We show that our Gumbel-Softmax estimator outperforms state-of-the-art gradient estimators on structured output prediction and unsupervised generative modeling tasks with categorical latent variables, and enables large speedups on semi-supervised classification.

Differentiable Architecture Search (DARTS) has attracted a lot of attention due to its simplicity and small search costs achieved by a continuous relaxation and an approximation of the resulting bi-level optimization problem. However, DARTS does not work robustly for new problems: we identify a wide range of search spaces for which DARTS yields degenerate architectures with very poor test performance. We study this failure mode and show that, while DARTS successfully minimizes validation loss, the found solutions generalize poorly when they coincide with high validation loss curvature in the architecture space. We show that by adding one of various types of regularization we can robustify DARTS to find solutions with less curvature and better generalization properties. Based on these observations, we propose several simple variations of DARTS that perform substantially more robustly in practice. Our observations are robust across five search spaces on three image classification tasks and also hold for the very different domains of disparity estimation (a dense regression task) and language modelling.

Customizing diffusion models to generate identity-preserving images from user-provided reference images is an intriguing new problem. The prevalent approaches typically require training on extensive domain-specific images to achieve identity preservation, which lacks flexibility across different use cases. To address this issue, we exploit classifier guidance, a training-free technique that steers diffusion models using an existing classifier, for personalized image generation. Our study shows that based on a recent rectified flow framework, the major limitation of vanilla classifier guidance in requiring a special classifier can be resolved with a simple fixed-point solution, allowing flexible personalization with off-the-shelf image discriminators. Moreover, its solving procedure proves to be stable when anchored to a reference flow trajectory, with a convergence guarantee. The derived method is implemented on rectified flow with different off-the-shelf image discriminators, delivering advantageous personalization results for human faces, live subjects, and certain objects. Code is available at https://github.com/feifeiobama/RectifID.

Diffusion probabilistic models (DPMs) have become the state-of-the-art in high-quality image generation. However, DPMs have an arbitrary noisy latent space with no interpretable or controllable semantics. Although there has been significant research effort to improve image sample quality, there is little work on representation-controlled generation using diffusion models. Specifically, causal modeling and controllable counterfactual generation using DPMs is an underexplored area. In this work, we propose CausalDiffAE, a diffusion-based causal representation learning framework to enable counterfactual generation according to a specified causal model. Our key idea is to use an encoder to extract high-level semantically meaningful causal variables from high-dimensional data and model stochastic variation using reverse diffusion. We propose a causal encoding mechanism that maps high-dimensional data to causally related latent factors and parameterize the causal mechanisms among latent factors using neural networks. To enforce the disentanglement of causal variables, we formulate a variational objective and leverage auxiliary label information in a prior to regularize the latent space. We propose a DDIM-based counterfactual generation procedure subject to do-interventions. Finally, to address the limited label supervision scenario, we also study the application of CausalDiffAE when a part of the training data is unlabeled, which also enables granular control over the strength of interventions in generating counterfactuals during inference. We empirically show that CausalDiffAE learns a disentangled latent space and is capable of generating high-quality counterfactual images.

Most generative models of audio directly generate samples in one of two domains: time or frequency. While sufficient to express any signal, these representations are inefficient, as they do not utilize existing knowledge of how sound is generated and perceived. A third approach (vocoders/synthesizers) successfully incorporates strong domain knowledge of signal processing and perception, but has been less actively researched due to limited expressivity and difficulty integrating with modern auto-differentiation-based machine learning methods. In this paper, we introduce the Differentiable Digital Signal Processing (DDSP) library, which enables direct integration of classic signal processing elements with deep learning methods. Focusing on audio synthesis, we achieve high-fidelity generation without the need for large autoregressive models or adversarial losses, demonstrating that DDSP enables utilizing strong inductive biases without losing the expressive power of neural networks. Further, we show that combining interpretable modules permits manipulation of each separate model component, with applications such as independent control of pitch and loudness, realistic extrapolation to pitches not seen during training, blind dereverberation of room acoustics, transfer of extracted room acoustics to new environments, and transformation of timbre between disparate sources. In short, DDSP enables an interpretable and modular approach to generative modeling, without sacrificing the benefits of deep learning. The library is publicly available at https://github.com/magenta/ddsp and we welcome further contributions from the community and domain experts.

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.

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.

We investigate the use of a stratified sampling approach for LIME Image, a popular model-agnostic explainable AI method for computer vision tasks, in order to reduce the artifacts generated by typical Monte Carlo sampling. Such artifacts are due to the undersampling of the dependent variable in the synthetic neighborhood around the image being explained, which may result in inadequate explanations due to the impossibility of fitting a linear regressor on the sampled data. We then highlight a connection with the Shapley theory, where similar arguments about undersampling and sample relevance were suggested in the past. We derive all the formulas and adjustment factors required for an unbiased stratified sampling estimator. Experiments show the efficacy of the proposed approach.

In recent years, denoising diffusion models have become a crucial area of research due to their abundance in the rapidly expanding field of generative AI. While recent statistical advances have delivered explanations for the generation ability of idealised denoising diffusion models for high-dimensional target data, implementations introduce thresholding procedures for the generating process to overcome issues arising from the unbounded state space of such models. This mismatch between theoretical design and implementation of diffusion models has been addressed empirically by using a reflected diffusion process as the driver of noise instead. In this paper, we study statistical guarantees of these denoising reflected diffusion models. In particular, we establish minimax optimal rates of convergence in total variation, up to a polylogarithmic factor, under Sobolev smoothness assumptions. Our main contributions include the statistical analysis of this novel class of denoising reflected diffusion models and a refined score approximation method in both time and space, leveraging spectral decomposition and rigorous neural network analysis.

Generative data augmentation, which scales datasets by obtaining fake labeled examples from a trained conditional generative model, boosts classification performance in various learning tasks including (semi-)supervised learning, few-shot learning, and adversarially robust learning. However, little work has theoretically investigated the effect of generative data augmentation. To fill this gap, we establish a general stability bound in this not independently and identically distributed (non-i.i.d.) setting, where the learned distribution is dependent on the original train set and generally not the same as the true distribution. Our theoretical result includes the divergence between the learned distribution and the true distribution. It shows that generative data augmentation can enjoy a faster learning rate when the order of divergence term is o(maxleft( log(m)beta_m, 1 / m)right), where m is the train set size and beta_m is the corresponding stability constant. We further specify the learning setup to the Gaussian mixture model and generative adversarial nets. We prove that in both cases, though generative data augmentation does not enjoy a faster learning rate, it can improve the learning guarantees at a constant level when the train set is small, which is significant when the awful overfitting occurs. Simulation results on the Gaussian mixture model and empirical results on generative adversarial nets support our theoretical conclusions. Our code is available at https://github.com/ML-GSAI/Understanding-GDA.