Daily Papers

Digital cameras transform sensor RAW readings into RGB images by means of their Image Signal Processor (ISP). Computational photography tasks such as image denoising and colour constancy are commonly performed in the RAW domain, in part due to the inherent hardware design, but also due to the appealing simplicity of noise statistics that result from the direct sensor readings. Despite this, the availability of RAW images is limited in comparison with the abundance and diversity of available RGB data. Recent approaches have attempted to bridge this gap by estimating the RGB to RAW mapping: handcrafted model-based methods that are interpretable and controllable usually require manual parameter fine-tuning, while end-to-end learnable neural networks require large amounts of training data, at times with complex training procedures, and generally lack interpretability and parametric control. Towards addressing these existing limitations, we present a novel hybrid model-based and data-driven ISP that builds on canonical ISP operations and is both learnable and interpretable. Our proposed invertible model, capable of bidirectional mapping between RAW and RGB domains, employs end-to-end learning of rich parameter representations, i.e. dictionaries, that are free from direct parametric supervision and additionally enable simple and plausible data augmentation. We evidence the value of our data generation process by extensive experiments under both RAW image reconstruction and RAW image denoising tasks, obtaining state-of-the-art performance in both. Additionally, we show that our ISP can learn meaningful mappings from few data samples, and that denoising models trained with our dictionary-based data augmentation are competitive despite having only few or zero ground-truth labels.

While deep neural networks (NN) significantly advance image compressed sensing (CS) by improving reconstruction quality, the necessity of training current CS NNs from scratch constrains their effectiveness and hampers rapid deployment. Although recent methods utilize pre-trained diffusion models for image reconstruction, they struggle with slow inference and restricted adaptability to CS. To tackle these challenges, this paper proposes Invertible Diffusion Models (IDM), a novel efficient, end-to-end diffusion-based CS method. IDM repurposes a large-scale diffusion sampling process as a reconstruction model, and fine-tunes it end-to-end to recover original images directly from CS measurements, moving beyond the traditional paradigm of one-step noise estimation learning. To enable such memory-intensive end-to-end fine-tuning, we propose a novel two-level invertible design to transform both (1) multi-step sampling process and (2) noise estimation U-Net in each step into invertible networks. As a result, most intermediate features are cleared during training to reduce up to 93.8% GPU memory. In addition, we develop a set of lightweight modules to inject measurements into noise estimator to further facilitate reconstruction. Experiments demonstrate that IDM outperforms existing state-of-the-art CS networks by up to 2.64dB in PSNR. Compared to the recent diffusion-based approach DDNM, our IDM achieves up to 10.09dB PSNR gain and 14.54 times faster inference. Code is available at https://github.com/Guaishou74851/IDM.

Flow-based generative models parameterize probability distributions through an invertible transformation and can be trained by maximum likelihood. Invertible residual networks provide a flexible family of transformations where only Lipschitz conditions rather than strict architectural constraints are needed for enforcing invertibility. However, prior work trained invertible residual networks for density estimation by relying on biased log-density estimates whose bias increased with the network's expressiveness. We give a tractable unbiased estimate of the log density using a "Russian roulette" estimator, and reduce the memory required during training by using an alternative infinite series for the gradient. Furthermore, we improve invertible residual blocks by proposing the use of activation functions that avoid derivative saturation and generalizing the Lipschitz condition to induced mixed norms. The resulting approach, called Residual Flows, achieves state-of-the-art performance on density estimation amongst flow-based models, and outperforms networks that use coupling blocks at joint generative and discriminative modeling.

A promising class of generative models maps points from a simple distribution to a complex distribution through an invertible neural network. Likelihood-based training of these models requires restricting their architectures to allow cheap computation of Jacobian determinants. Alternatively, the Jacobian trace can be used if the transformation is specified by an ordinary differential equation. In this paper, we use Hutchinson's trace estimator to give a scalable unbiased estimate of the log-density. The result is a continuous-time invertible generative model with unbiased density estimation and one-pass sampling, while allowing unrestricted neural network architectures. We demonstrate our approach on high-dimensional density estimation, image generation, and variational inference, achieving the state-of-the-art among exact likelihood methods with efficient sampling.

Answering counterfactual queries has many important applications such as knowledge discovery and explainability, but is challenging when causal variables are unobserved and we only see a projection onto an observation space, for instance, image pixels. One approach is to recover the latent Structural Causal Model (SCM), but this typically needs unrealistic assumptions, such as linearity of the causal mechanisms. Another approach is to use na\"ive ML approximations, such as generative models, to generate counterfactual samples; however, these lack guarantees of accuracy. In this work, we strive to strike a balance between practicality and theoretical guarantees by focusing on a specific type of causal query called domain counterfactuals, which hypothesizes what a sample would have looked like if it had been generated in a different domain (or environment). Concretely, by only assuming invertibility, sparse domain interventions and access to observational data from different domains, we aim to improve domain counterfactual estimation both theoretically and practically with less restrictive assumptions. We define domain counterfactually equivalent models and prove necessary and sufficient properties for equivalent models that provide a tight characterization of the domain counterfactual equivalence classes. Building upon this result, we prove that every equivalence class contains a model where all intervened variables are at the end when topologically sorted by the causal DAG. This surprising result suggests that a model design that only allows intervention in the last k latent variables may improve model estimation for counterfactuals. We then test this model design on extensive simulated and image-based experiments which show the sparse canonical model indeed improves counterfactual estimation over baseline non-sparse models.

Generative models (e.g., GANs, diffusion models) learn the underlying data distribution in an unsupervised manner. However, many applications of interest require sampling from a particular region of the output space or sampling evenly over a range of characteristics. For efficient sampling in these scenarios, we propose Generative Visual Prompt (PromptGen), a framework for distributional control over pre-trained generative models by incorporating knowledge of other off-the-shelf models. PromptGen defines control as energy-based models (EBMs) and samples images in a feed-forward manner by approximating the EBM with invertible neural networks, avoiding optimization at inference. Our experiments demonstrate how PromptGen can efficiently sample from several unconditional generative models (e.g., StyleGAN2, StyleNeRF, diffusion autoencoder, NVAE) in a controlled or/and de-biased manner using various off-the-shelf models: (1) with the CLIP model as control, PromptGen can sample images guided by text, (2) with image classifiers as control, PromptGen can de-bias generative models across a set of attributes or attribute combinations, and (3) with inverse graphics models as control, PromptGen can sample images of the same identity in different poses. (4) Finally, PromptGen reveals that the CLIP model shows a "reporting bias" when used as control, and PromptGen can further de-bias this controlled distribution in an iterative manner. The code is available at https://github.com/ChenWu98/Generative-Visual-Prompt.

Convolutional neural network (CNN) models for computer vision are powerful but lack explainability in their most basic form. This deficiency remains a key challenge when applying CNNs in important domains. Recent work on explanations through feature importance of approximate linear models has moved from input-level features (pixels or segments) to features from mid-layer feature maps in the form of concept activation vectors (CAVs). CAVs contain concept-level information and could be learned via clustering. In this work, we rethink the ACE algorithm of Ghorbani et~al., proposing an alternative invertible concept-based explanation (ICE) framework to overcome its shortcomings. Based on the requirements of fidelity (approximate models to target models) and interpretability (being meaningful to people), we design measurements and evaluate a range of matrix factorization methods with our framework. We find that non-negative concept activation vectors (NCAVs) from non-negative matrix factorization provide superior performance in interpretability and fidelity based on computational and human subject experiments. Our framework provides both local and global concept-level explanations for pre-trained CNN models.

Transformer components such as non-linear activations and normalization are inherently non-injective, suggesting that different inputs could map to the same output and prevent exact recovery of the input from a model's representations. In this paper, we challenge this view. First, we prove mathematically that transformer language models mapping discrete input sequences to their corresponding sequence of continuous representations are injective and therefore lossless, a property established at initialization and preserved during training. Second, we confirm this result empirically through billions of collision tests on six state-of-the-art language models, and observe no collisions. Third, we operationalize injectivity: we introduce SipIt, the first algorithm that provably and efficiently reconstructs the exact input text from hidden activations, establishing linear-time guarantees and demonstrating exact invertibility in practice. Overall, our work establishes injectivity as a fundamental and exploitable property of language models, with direct implications for transparency, interpretability, and safe deployment.

Great successes have been achieved using deep learning techniques for image super-resolution (SR) with fixed scales. To increase its real world applicability, numerous models have also been proposed to restore SR images with arbitrary scale factors, including asymmetric ones where images are resized to different scales along horizontal and vertical directions. Though most models are only optimized for the unidirectional upscaling task while assuming a predefined downscaling kernel for low-resolution (LR) inputs, recent models based on Invertible Neural Networks (INN) are able to increase upscaling accuracy significantly by optimizing the downscaling and upscaling cycle jointly. However, limited by the INN architecture, it is constrained to fixed integer scale factors and requires one model for each scale. Without increasing model complexity, a simple and effective invertible arbitrary rescaling network (IARN) is proposed to achieve arbitrary image rescaling by training only one model in this work. Using innovative components like position-aware scale encoding and preemptive channel splitting, the network is optimized to convert the non-invertible rescaling cycle to an effectively invertible process. It is shown to achieve a state-of-the-art (SOTA) performance in bidirectional arbitrary rescaling without compromising perceptual quality in LR outputs. It is also demonstrated to perform well on tests with asymmetric scales using the same network architecture.

Human reading comprehension often requires reasoning of event semantic relations in narratives, represented by Event-centric Question-Answering (QA). To address event-centric QA, we propose a novel QA model with contrastive learning and invertible event transformation, call TranCLR. Our proposed model utilizes an invertible transformation matrix to project semantic vectors of events into a common event embedding space, trained with contrastive learning, and thus naturally inject event semantic knowledge into mainstream QA pipelines. The transformation matrix is fine-tuned with the annotated event relation types between events that occurred in questions and those in answers, using event-aware question vectors. Experimental results on the Event Semantic Relation Reasoning (ESTER) dataset show significant improvements in both generative and extractive settings compared to the existing strong baselines, achieving over 8.4% gain in the token-level F1 score and 3.0% gain in Exact Match (EM) score under the multi-answer setting. Qualitative analysis reveals the high quality of the generated answers by TranCLR, demonstrating the feasibility of injecting event knowledge into QA model learning. Our code and models can be found at https://github.com/LuJunru/TranCLR.

Flow-based generative models (Dinh et al., 2014) are conceptually attractive due to tractability of the exact log-likelihood, tractability of exact latent-variable inference, and parallelizability of both training and synthesis. In this paper we propose Glow, a simple type of generative flow using an invertible 1x1 convolution. Using our method we demonstrate a significant improvement in log-likelihood on standard benchmarks. Perhaps most strikingly, we demonstrate that a generative model optimized towards the plain log-likelihood objective is capable of efficient realistic-looking synthesis and manipulation of large images. The code for our model is available at https://github.com/openai/glow

Diffusion distillation represents a highly promising direction for achieving faithful text-to-image generation in a few sampling steps. However, despite recent successes, existing distilled models still do not provide the full spectrum of diffusion abilities, such as real image inversion, which enables many precise image manipulation methods. This work aims to enrich distilled text-to-image diffusion models with the ability to effectively encode real images into their latent space. To this end, we introduce invertible Consistency Distillation (iCD), a generalized consistency distillation framework that facilitates both high-quality image synthesis and accurate image encoding in only 3-4 inference steps. Though the inversion problem for text-to-image diffusion models gets exacerbated by high classifier-free guidance scales, we notice that dynamic guidance significantly reduces reconstruction errors without noticeable degradation in generation performance. As a result, we demonstrate that iCD equipped with dynamic guidance may serve as a highly effective tool for zero-shot text-guided image editing, competing with more expensive state-of-the-art alternatives.

Normalizing flow models have been used successfully for generative image super-resolution (SR) by approximating complex distribution of natural images to simple tractable distribution in latent space through Invertible Neural Networks (INN). These models can generate multiple realistic SR images from one low-resolution (LR) input using randomly sampled points in the latent space, simulating the ill-posed nature of image upscaling where multiple high-resolution (HR) images correspond to the same LR. Lately, the invertible process in INN has also been used successfully by bidirectional image rescaling models like IRN and HCFlow for joint optimization of downscaling and inverse upscaling, resulting in significant improvements in upscaled image quality. While they are optimized for image downscaling too, the ill-posed nature of image downscaling, where one HR image could be downsized to multiple LR images depending on different interpolation kernels and resampling methods, is not considered. A new downscaling latent variable, in addition to the original one representing uncertainties in image upscaling, is introduced to model variations in the image downscaling process. This dual latent variable enhancement is applicable to different image rescaling models and it is shown in extensive experiments that it can improve image upscaling accuracy consistently without sacrificing image quality in downscaled LR images. It is also shown to be effective in enhancing other INN-based models for image restoration applications like image hiding.

Normalizing flows (NFs) are end-to-end likelihood-based generative models for continuous data, and have recently regained attention with encouraging progress on image generation. Yet in the video generation domain, where spatiotemporal complexity and computational cost are substantially higher, state-of-the-art systems almost exclusively rely on diffusion-based models. In this work, we revisit this design space by presenting STARFlow-V, a normalizing flow-based video generator with substantial benefits such as end-to-end learning, robust causal prediction, and native likelihood estimation. Building upon the recently proposed STARFlow, STARFlow-V operates in the spatiotemporal latent space with a global-local architecture which restricts causal dependencies to a global latent space while preserving rich local within-frame interactions. This eases error accumulation over time, a common pitfall of standard autoregressive diffusion model generation. Additionally, we propose flow-score matching, which equips the model with a light-weight causal denoiser to improve the video generation consistency in an autoregressive fashion. To improve the sampling efficiency, STARFlow-V employs a video-aware Jacobi iteration scheme that recasts inner updates as parallelizable iterations without breaking causality. Thanks to the invertible structure, the same model can natively support text-to-video, image-to-video as well as video-to-video generation tasks. Empirically, STARFlow-V achieves strong visual fidelity and temporal consistency with practical sampling throughput relative to diffusion-based baselines. These results present the first evidence, to our knowledge, that NFs are capable of high-quality autoregressive video generation, establishing them as a promising research direction for building world models. Code and generated samples are available at https://github.com/apple/ml-starflow.

The audio watermarking technique embeds messages into audio and accurately extracts messages from the watermarked audio. Traditional methods develop algorithms based on expert experience to embed watermarks into the time-domain or transform-domain of signals. With the development of deep neural networks, deep learning-based neural audio watermarking has emerged. Compared to traditional algorithms, neural audio watermarking achieves better robustness by considering various attacks during training. However, current neural watermarking methods suffer from low capacity and unsatisfactory imperceptibility. Additionally, the issue of watermark locating, which is extremely important and even more pronounced in neural audio watermarking, has not been adequately studied. In this paper, we design a dual-embedding watermarking model for efficient locating. We also consider the impact of the attack layer on the invertible neural network in robustness training, improving the model to enhance both its reasonableness and stability. Experiments show that the proposed model, IDEAW, can withstand various attacks with higher capacity and more efficient locating ability compared to existing methods.

It is widely believed that the success of deep convolutional networks is based on progressively discarding uninformative variability about the input with respect to the problem at hand. This is supported empirically by the difficulty of recovering images from their hidden representations, in most commonly used network architectures. In this paper we show via a one-to-one mapping that this loss of information is not a necessary condition to learn representations that generalize well on complicated problems, such as ImageNet. Via a cascade of homeomorphic layers, we build the i-RevNet, a network that can be fully inverted up to the final projection onto the classes, i.e. no information is discarded. Building an invertible architecture is difficult, for one, because the local inversion is ill-conditioned, we overcome this by providing an explicit inverse. An analysis of i-RevNets learned representations suggests an alternative explanation for the success of deep networks by a progressive contraction and linear separation with depth. To shed light on the nature of the model learned by the i-RevNet we reconstruct linear interpolations between natural image representations.

Invertible convolutions have been an essential element for building expressive normalizing flow-based generative models since their introduction in Glow. Several attempts have been made to design invertible k times k convolutions that are efficient in training and sampling passes. Though these attempts have improved the expressivity and sampling efficiency, they severely lagged behind Glow which used only 1 times 1 convolutions in terms of sampling time. Also, many of the approaches mask a large number of parameters of the underlying convolution, resulting in lower expressivity on a fixed run-time budget. We propose a k times k convolutional layer and Deep Normalizing Flow architecture which i.) has a fast parallel inversion algorithm with running time O(n k^2) (n is height and width of the input image and k is kernel size), ii.) masks the minimal amount of learnable parameters in a layer. iii.) gives better forward pass and sampling times comparable to other k times k convolution-based models on real-world benchmarks. We provide an implementation of the proposed parallel algorithm for sampling using our invertible convolutions on GPUs. Benchmarks on CIFAR-10, ImageNet, and CelebA datasets show comparable performance to previous works regarding bits per dimension while significantly improving the sampling time.

Low-resource languages (LRLs) face significant challenges in natural language processing (NLP) due to limited data. While current state-of-the-art large language models (LLMs) still struggle with LRLs, smaller multilingual models (mLMs) such as mBERT and XLM-R offer greater promise due to a better fit of their capacity to low training data sizes. This study systematically investigates parameter-efficient adapter-based methods for adapting mLMs to LRLs, evaluating three architectures: Sequential Bottleneck, Invertible Bottleneck, and Low-Rank Adaptation. Using unstructured text from GlotCC and structured knowledge from ConceptNet, we show that small adaptation datasets (e.g., up to 1 GB of free-text or a few MB of knowledge graph data) yield gains in intrinsic (masked language modeling) and extrinsic tasks (topic classification, sentiment analysis, and named entity recognition). We find that Sequential Bottleneck adapters excel in language modeling, while Invertible Bottleneck adapters slightly outperform other methods on downstream tasks due to better embedding alignment and larger parameter counts. Adapter-based methods match or outperform full fine-tuning while using far fewer parameters, and smaller mLMs prove more effective for LRLs than massive LLMs like LLaMA-3, GPT-4, and DeepSeek-R1-based distilled models. While adaptation improves performance, pre-training data size remains the dominant factor, especially for languages with extensive pre-training coverage.

Normalizing flows are an essential alternative to GANs for generative modelling, which can be optimized directly on the maximum likelihood of the dataset. They also allow computation of the exact latent vector corresponding to an image since they are composed of invertible transformations. However, the requirement of invertibility of the transformation prevents standard and expressive neural network models such as CNNs from being directly used. Emergent convolutions were proposed to construct an invertible 3times3 CNN layer using a pair of masked CNN layers, making them inefficient. We study conditions such that 3times3 CNNs are invertible, allowing them to construct expressive normalizing flows. We derive necessary and sufficient conditions on a padded CNN for it to be invertible. Our conditions for invertibility are simple, can easily be maintained during the training process. Since we require only a single CNN layer for every effective invertible CNN layer, our approach is more efficient than emerging convolutions. We also proposed a coupling method, Quad-coupling. We benchmark our approach and show similar performance results to emergent convolutions while improving the model's efficiency.

Traditional saliency map methods, popularized in computer vision, highlight individual points (pixels) of the input that contribute the most to the model's output. However, in time-series they offer limited insights as semantically meaningful features are often found in other domains. We introduce Cross-domain Integrated Gradients, a generalization of Integrated Gradients. Our method enables feature attributions on any domain that can be formulated as an invertible, differentiable transformation of the time domain. Crucially, our derivation extends the original Integrated Gradients into the complex domain, enabling frequency-based attributions. We provide the necessary theoretical guarantees, namely, path independence and completeness. Our approach reveals interpretable, problem-specific attributions that time-domain methods cannot capture, on three real-world tasks: wearable sensor heart rate extraction, electroencephalography-based seizure detection, and zero-shot time-series forecasting. We release an open-source Tensorflow/PyTorch library to enable plug-and-play cross-domain explainability for time-series models. These results demonstrate the ability of cross-domain integrated gradients to provide semantically meaningful insights in time-series models that are impossible with traditional time-domain saliency.

Model merging leverages multiple finetuned expert models to construct a multi-task model with low cost, and is gaining increasing attention. However, as a growing number of finetuned models become publicly available, concerns about the safety of model merging have emerged. Unauthorized merging may infringe on developers' rights and risk leaking sensitive personal information. Most existing methods focus on detecting whether a merged model originates from a specific source model, but fail to effectively prevent illegal merging. In this paper, we propose MergeLock, an active protection mechanism that disrupts model parameters to render them unmergeable, thereby directly preventing unauthorized model merging. Specifically, leveraging the inherent symmetry of the attention mechanism in Transformer-based models, we randomly sample two pairs of invertible matrices and apply them to the Query-Key (QK) and Value-Output (VO) branches. This transformation keeps the model's output unchanged while pushing it away from the shared parameter space of other finetuned models. Extensive experiments across both vision and language tasks demonstrate that MergeLock can degrade the performance of merged models by over 95% when a protected model is involved in most cases, demonstrating its effectiveness. Moreover, we further demonstrate that merged models protected by MergeLock cannot be effectively recovered using low-cost restoration methods, further enhancing robustness against unauthorized merging. The code is available at https://github.com/hetailang/Merge-Lock.

We present CHARM, a novel parametric representation and generative framework for anime hairstyle modeling. While traditional hair modeling methods focus on realistic hair using strand-based or volumetric representations, anime hairstyle exhibits highly stylized, piecewise-structured geometry that challenges existing techniques. Existing works often rely on dense mesh modeling or hand-crafted spline curves, making them inefficient for editing and unsuitable for scalable learning. CHARM introduces a compact, invertible control-point-based parameterization, where a sequence of control points represents each hair card, and each point is encoded with only five geometric parameters. This efficient and accurate representation supports both artist-friendly design and learning-based generation. Built upon this representation, CHARM introduces an autoregressive generative framework that effectively generates anime hairstyles from input images or point clouds. By interpreting anime hairstyles as a sequential "hair language", our autoregressive transformer captures both local geometry and global hairstyle topology, resulting in high-fidelity anime hairstyle creation. To facilitate both training and evaluation of anime hairstyle generation, we construct AnimeHair, a large-scale dataset of 37K high-quality anime hairstyles with separated hair cards and processed mesh data. Extensive experiments demonstrate state-of-the-art performance of CHARM in both reconstruction accuracy and generation quality, offering an expressive and scalable solution for anime hairstyle modeling. Project page: https://hyzcluster.github.io/charm/

Audio Language Models (ALM) have emerged as the dominant paradigm for speech and music generation by representing audio as sequences of discrete tokens. Yet, unlike text tokens, which are invertible, audio tokens are extracted from lossy codecs with a limited bitrate. As a consequence, increasing audio quality requires generating more tokens, which imposes a trade-off between fidelity and computational cost. We address this issue by studying Continuous Audio Language Models (CALM). These models instantiate a large Transformer backbone that produces a contextual embedding at every timestep. This sequential information then conditions an MLP that generates the next continuous frame of an audio VAE through consistency modeling. By avoiding lossy compression, CALM achieves higher quality at lower computational cost than their discrete counterpart. Experiments on speech and music demonstrate improved efficiency and fidelity over state-of-the-art discrete audio language models, facilitating lightweight, high-quality audio generation. Samples are available at https://continuous-audio-language-models.github.io

Diffusion models have achieved unprecedented performance in generative modeling. The commonly-adopted formulation of the latent code of diffusion models is a sequence of gradually denoised samples, as opposed to the simpler (e.g., Gaussian) latent space of GANs, VAEs, and normalizing flows. This paper provides an alternative, Gaussian formulation of the latent space of various diffusion models, as well as an invertible DPM-Encoder that maps images into the latent space. While our formulation is purely based on the definition of diffusion models, we demonstrate several intriguing consequences. (1) Empirically, we observe that a common latent space emerges from two diffusion models trained independently on related domains. In light of this finding, we propose CycleDiffusion, which uses DPM-Encoder for unpaired image-to-image translation. Furthermore, applying CycleDiffusion to text-to-image diffusion models, we show that large-scale text-to-image diffusion models can be used as zero-shot image-to-image editors. (2) One can guide pre-trained diffusion models and GANs by controlling the latent codes in a unified, plug-and-play formulation based on energy-based models. Using the CLIP model and a face recognition model as guidance, we demonstrate that diffusion models have better coverage of low-density sub-populations and individuals than GANs. The code is publicly available at https://github.com/ChenWu98/cycle-diffusion.

Deep generative neural networks, such as Variational AutoEncoders (VAEs), offer an opportunity to better understand and control language models from the perspective of sentence-level latent spaces. To combine the controllability of VAE latent spaces with the state-of-the-art performance of recent large language models (LLMs), we present in this work LlaMaVAE, which combines expressive encoder and decoder models (sentenceT5 and LlaMA) with a VAE architecture, aiming to provide better text generation control to LLMs. In addition, to conditionally guide the VAE generation, we investigate a new approach based on flow-based invertible neural networks (INNs) named Invertible CVAE. Experimental results reveal that LlaMaVAE can outperform the previous state-of-the-art VAE language model, Optimus, across various tasks, including language modelling, semantic textual similarity and definition modelling. Qualitative analysis on interpolation and traversal experiments also indicates an increased degree of semantic clustering and geometric consistency, which enables better generation control.

We demonstrate a universal mechanism of a class of instabilities in infrared regions for massless Abelian p-form gauge theories with topological interactions, which we call generalized chiral instabilities. Such instabilities occur in the presence of initial electric fields for the p-form gauge fields. We show that the dynamically generated magnetic fields tend to decrease the initial electric fields and result in configurations with linking numbers, which can be characterized by non-invertible global symmetries. The so-called chiral plasma instability and instabilities of the axion electrodynamics and (4+1)-dimensional Maxwell-Chern-Simons theory in electric fields can be described by the generalized chiral instabilities in a unified manner. We also illustrate this mechanism in the (2+1)-dimensional Goldstone-Maxwell model in electric field.

Explicitly disentangling style and content in vision models remains challenging due to their semantic overlap and the subjectivity of human perception. Existing methods propose separation through generative or discriminative objectives, but they still face the inherent ambiguity of disentangling intertwined concepts. Instead, we ask: Can we bypass explicit disentanglement by learning to merge style and content invertibly, allowing separation to emerge naturally? We propose SCFlow, a flow-matching framework that learns bidirectional mappings between entangled and disentangled representations. Our approach is built upon three key insights: 1) Training solely to merge style and content, a well-defined task, enables invertible disentanglement without explicit supervision; 2) flow matching bridges on arbitrary distributions, avoiding the restrictive Gaussian priors of diffusion models and normalizing flows; and 3) a synthetic dataset of 510,000 samples (51 styles times 10,000 content samples) was curated to simulate disentanglement through systematic style-content pairing. Beyond controllable generation tasks, we demonstrate that SCFlow generalizes to ImageNet-1k and WikiArt in zero-shot settings and achieves competitive performance, highlighting that disentanglement naturally emerges from the invertible merging process.

We, team AImsterdam, summarize our submission to the fastMRI challenge (Zbontar et al., 2018). Our approach builds on recent advances in invertible learning to infer models as presented in Putzky and Welling (2019). Both, our single-coil and our multi-coil model share the same basic architecture.

A normalizing flow models a complex probability density as an invertible transformation of a simple base density. Flows based on either coupling or autoregressive transforms both offer exact density evaluation and sampling, but rely on the parameterization of an easily invertible elementwise transformation, whose choice determines the flexibility of these models. Building upon recent work, we propose a fully-differentiable module based on monotonic rational-quadratic splines, which enhances the flexibility of both coupling and autoregressive transforms while retaining analytic invertibility. We demonstrate that neural spline flows improve density estimation, variational inference, and generative modeling of images.

We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.

Lightweight creation of 3D digital avatars is a highly desirable but challenging task. With only sparse videos of a person under unknown illumination, we propose a method to create relightable and animatable neural avatars, which can be used to synthesize photorealistic images of humans under novel viewpoints, body poses, and lighting. The key challenge here is to disentangle the geometry, material of the clothed body, and lighting, which becomes more difficult due to the complex geometry and shadow changes caused by body motions. To solve this ill-posed problem, we propose novel techniques to better model the geometry and shadow changes. For geometry change modeling, we propose an invertible deformation field, which helps to solve the inverse skinning problem and leads to better geometry quality. To model the spatial and temporal varying shading cues, we propose a pose-aware part-wise light visibility network to estimate light occlusion. Extensive experiments on synthetic and real datasets show that our approach reconstructs high-quality geometry and generates realistic shadows under different body poses. Code and data are available at https://wenbin-lin.github.io/RelightableAvatar-page/.

In subsurface imaging, learning the mapping from velocity maps to seismic waveforms (forward problem) and waveforms to velocity (inverse problem) is important for several applications. While traditional techniques for solving forward and inverse problems are computationally prohibitive, there is a growing interest in leveraging recent advances in deep learning to learn the mapping between velocity maps and seismic waveform images directly from data. Despite the variety of architectures explored in previous works, several open questions still remain unanswered such as the effect of latent space sizes, the importance of manifold learning, the complexity of translation models, and the value of jointly solving forward and inverse problems. We propose a unified framework to systematically characterize prior research in this area termed the Generalized Forward-Inverse (GFI) framework, building on the assumption of manifolds and latent space translations. We show that GFI encompasses previous works in deep learning for subsurface imaging, which can be viewed as specific instantiations of GFI. We also propose two new model architectures within the framework of GFI: Latent U-Net and Invertible X-Net, leveraging the power of U-Nets for domain translation and the ability of IU-Nets to simultaneously learn forward and inverse translations, respectively. We show that our proposed models achieve state-of-the-art (SOTA) performance for forward and inverse problems on a wide range of synthetic datasets, and also investigate their zero-shot effectiveness on two real-world-like datasets. Our code is available at https://github.com/KGML-lab/Generalized-Forward-Inverse-Framework-for-DL4SI

Directly modeling the explicit likelihood of the raw data distribution is key topic in the machine learning area, which achieves the scaling successes in Large Language Models by autoregressive modeling. However, continuous AR modeling over visual pixel data suffer from extremely long sequences and high-dimensional spaces. In this paper, we present FARMER, a novel end-to-end generative framework that unifies Normalizing Flows (NF) and Autoregressive (AR) models for tractable likelihood estimation and high-quality image synthesis directly from raw pixels. FARMER employs an invertible autoregressive flow to transform images into latent sequences, whose distribution is modeled implicitly by an autoregressive model. To address the redundancy and complexity in pixel-level modeling, we propose a self-supervised dimension reduction scheme that partitions NF latent channels into informative and redundant groups, enabling more effective and efficient AR modeling. Furthermore, we design a one-step distillation scheme to significantly accelerate inference speed and introduce a resampling-based classifier-free guidance algorithm to boost image generation quality. Extensive experiments demonstrate that FARMER achieves competitive performance compared to existing pixel-based generative models while providing exact likelihoods and scalable training.

Normalizing Flows (NFs) are a class of generative models distinguished by a mathematically invertible architecture, where the forward pass transforms data into a latent space for density estimation, and the reverse pass generates new samples from this space. This characteristic creates an intrinsic synergy between representation learning and data generation. However, the generative quality of standard NFs is limited by poor semantic representations from log-likelihood optimization. To remedy this, we propose a novel alignment strategy that creatively leverages the invertibility of NFs: instead of regularizing the forward pass, we align the intermediate features of the generative (reverse) pass with representations from a powerful vision foundation model, demonstrating superior effectiveness over naive alignment. We also introduce a novel training-free, test-time optimization algorithm for classification, which provides a more intrinsic evaluation of the NF's embedded semantic knowledge. Comprehensive experiments demonstrate that our approach accelerates the training of NFs by over 3.3times, while simultaneously delivering significant improvements in both generative quality and classification accuracy. New state-of-the-art results for NFs are established on ImageNet 64times64 and 256times256. Our code is available at https://github.com/MCG-NJU/FlowBack.

In this paper, we present a self-calibrating framework that jointly optimizes camera parameters, lens distortion and 3D Gaussian representations, enabling accurate and efficient scene reconstruction. In particular, our technique enables high-quality scene reconstruction from Large field-of-view (FOV) imagery taken with wide-angle lenses, allowing the scene to be modeled from a smaller number of images. Our approach introduces a novel method for modeling complex lens distortions using a hybrid network that combines invertible residual networks with explicit grids. This design effectively regularizes the optimization process, achieving greater accuracy than conventional camera models. Additionally, we propose a cubemap-based resampling strategy to support large FOV images without sacrificing resolution or introducing distortion artifacts. Our method is compatible with the fast rasterization of Gaussian Splatting, adaptable to a wide variety of camera lens distortion, and demonstrates state-of-the-art performance on both synthetic and real-world datasets.

Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transformations, a set of powerful invertible and learnable transformations, resulting in an unsupervised learning algorithm with exact log-likelihood computation, exact sampling, exact inference of latent variables, and an interpretable latent space. We demonstrate its ability to model natural images on four datasets through sampling, log-likelihood evaluation and latent variable manipulations.

The main goal behind state-of-the-art pre-trained multilingual models such as multilingual BERT and XLM-R is enabling and bootstrapping NLP applications in low-resource languages through zero-shot or few-shot cross-lingual transfer. However, due to limited model capacity, their transfer performance is the weakest exactly on such low-resource languages and languages unseen during pre-training. We propose MAD-X, an adapter-based framework that enables high portability and parameter-efficient transfer to arbitrary tasks and languages by learning modular language and task representations. In addition, we introduce a novel invertible adapter architecture and a strong baseline method for adapting a pre-trained multilingual model to a new language. MAD-X outperforms the state of the art in cross-lingual transfer across a representative set of typologically diverse languages on named entity recognition and causal commonsense reasoning, and achieves competitive results on question answering. Our code and adapters are available at AdapterHub.ml

Time-frequency (TF) representations provide powerful and intuitive features for the analysis of time series such as audio. But still, generative modeling of audio in the TF domain is a subtle matter. Consequently, neural audio synthesis widely relies on directly modeling the waveform and previous attempts at unconditionally synthesizing audio from neurally generated invertible TF features still struggle to produce audio at satisfying quality. In this article, focusing on the short-time Fourier transform, we discuss the challenges that arise in audio synthesis based on generated invertible TF features and how to overcome them. We demonstrate the potential of deliberate generative TF modeling by training a generative adversarial network (GAN) on short-time Fourier features. We show that by applying our guidelines, our TF-based network was able to outperform a state-of-the-art GAN generating waveforms directly, despite the similar architecture in the two networks.

The ability to automatically generate music that appropriately matches an arbitrary input track is a challenging task. We present a novel controllable system for generating single stems to accompany musical mixes of arbitrary length. At the core of our method are audio autoencoders that efficiently compress audio waveform samples into invertible latent representations, and a conditional latent diffusion model that takes as input the latent encoding of a mix and generates the latent encoding of a corresponding stem. To provide control over the timbre of generated samples, we introduce a technique to ground the latent space to a user-provided reference style during diffusion sampling. For further improving audio quality, we adapt classifier-free guidance to avoid distortions at high guidance strengths when generating an unbounded latent space. We train our model on a dataset of pairs of mixes and matching bass stems. Quantitative experiments demonstrate that, given an input mix, the proposed system can generate basslines with user-specified timbres. Our controllable conditional audio generation framework represents a significant step forward in creating generative AI tools to assist musicians in music production.

Most image watermarking systems focus on robustness, capacity, and imperceptibility while treating the embedded payload as meaningless bits. This bit-centric view imposes a hard ceiling on capacity and prevents watermarks from carrying useful information. We propose LatentSeal, which reframes watermarking as semantic communication: a lightweight text autoencoder maps full-sentence messages into a compact 256-dimensional unit-norm latent vector, which is robustly embedded by a finetuned watermark model and secured through a secret, invertible rotation. The resulting system hides full-sentence messages, decodes in real time, and survives valuemetric and geometric attacks. It surpasses prior state of the art in BLEU-4 and Exact Match on several benchmarks, while breaking through the long-standing 256-bit payload ceiling. It also introduces a statistically calibrated score that yields a ROC AUC score of 0.97-0.99, and practical operating points for deployment. By shifting from bit payloads to semantic latent vectors, LatentSeal enables watermarking that is not only robust and high-capacity, but also secure and interpretable, providing a concrete path toward provenance, tamper explanation, and trustworthy AI governance. Models, training and inference code, and data splits will be available upon publication.

Learning structured representations of the visual world in terms of objects promises to significantly improve the generalization abilities of current machine learning models. While recent efforts to this end have shown promising empirical progress, a theoretical account of when unsupervised object-centric representation learning is possible is still lacking. Consequently, understanding the reasons for the success of existing object-centric methods as well as designing new theoretically grounded methods remains challenging. In the present work, we analyze when object-centric representations can provably be learned without supervision. To this end, we first introduce two assumptions on the generative process for scenes comprised of several objects, which we call compositionality and irreducibility. Under this generative process, we prove that the ground-truth object representations can be identified by an invertible and compositional inference model, even in the presence of dependencies between objects. We empirically validate our results through experiments on synthetic data. Finally, we provide evidence that our theory holds predictive power for existing object-centric models by showing a close correspondence between models' compositionality and invertibility and their empirical identifiability.

This paper studies model-inversion attacks, in which the access to a model is abused to infer information about the training data. Since its first introduction, such attacks have raised serious concerns given that training data usually contain privacy-sensitive information. Thus far, successful model-inversion attacks have only been demonstrated on simple models, such as linear regression and logistic regression. Previous attempts to invert neural networks, even the ones with simple architectures, have failed to produce convincing results. We present a novel attack method, termed the generative model-inversion attack, which can invert deep neural networks with high success rates. Rather than reconstructing private training data from scratch, we leverage partial public information, which can be very generic, to learn a distributional prior via generative adversarial networks (GANs) and use it to guide the inversion process. Moreover, we theoretically prove that a model's predictive power and its vulnerability to inversion attacks are indeed two sides of the same coin---highly predictive models are able to establish a strong correlation between features and labels, which coincides exactly with what an adversary exploits to mount the attacks. Our extensive experiments demonstrate that the proposed attack improves identification accuracy over the existing work by about 75\% for reconstructing face images from a state-of-the-art face recognition classifier. We also show that differential privacy, in its canonical form, is of little avail to defend against our attacks.

Standard diffusion models involve an image transform -- adding Gaussian noise -- and an image restoration operator that inverts this degradation. We observe that the generative behavior of diffusion models is not strongly dependent on the choice of image degradation, and in fact an entire family of generative models can be constructed by varying this choice. Even when using completely deterministic degradations (e.g., blur, masking, and more), the training and test-time update rules that underlie diffusion models can be easily generalized to create generative models. The success of these fully deterministic models calls into question the community's understanding of diffusion models, which relies on noise in either gradient Langevin dynamics or variational inference, and paves the way for generalized diffusion models that invert arbitrary processes. Our code is available at https://github.com/arpitbansal297/Cold-Diffusion-Models

We propose using Normalizing Flows as a trainable kernel within the molecular dynamics update of Hamiltonian Monte Carlo (HMC). By learning (invertible) transformations that simplify our dynamics, we can outperform traditional methods at generating independent configurations. We show that, using a carefully constructed network architecture, our approach can be easily scaled to large lattice volumes with minimal retraining effort. The source code for our implementation is publicly available online at https://github.com/nftqcd/fthmc.

Diffusion models are a class of generative models that learn to synthesize samples by inverting a diffusion process that gradually maps data into noise. While these models have enjoyed great success recently, a full theoretical understanding of their observed properties is still lacking, in particular, their weak sensitivity to the choice of noise family and the role of adequate scheduling of noise levels for good synthesis. By identifying a correspondence between diffusion models and a well-known paradigm in cognitive science known as serial reproduction, whereby human agents iteratively observe and reproduce stimuli from memory, we show how the aforementioned properties of diffusion models can be explained as a natural consequence of this correspondence. We then complement our theoretical analysis with simulations that exhibit these key features. Our work highlights how classic paradigms in cognitive science can shed light on state-of-the-art machine learning problems.

Diffusion models have quickly become the state-of-the-art for generation tasks across many different data modalities. An important ability of diffusion models is the ability to encode samples from the data distribution back into the sampling prior distribution. This is useful for performing alterations to real data samples along with guided generation via the continuous adjoint equations. We propose an algebraically reversible solver for diffusion SDEs that can exactly invert real data samples into the prior distribution.

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.

Inverse graphics -- the task of inverting an image into physical variables that, when rendered, enable reproduction of the observed scene -- is a fundamental challenge in computer vision and graphics. Disentangling an image into its constituent elements, such as the shape, color, and material properties of the objects of the 3D scene that produced it, requires a comprehensive understanding of the environment. This requirement limits the ability of existing carefully engineered approaches to generalize across domains. Inspired by the zero-shot ability of large language models (LLMs) to generalize to novel contexts, we investigate the possibility of leveraging the broad world knowledge encoded in such models in solving inverse-graphics problems. To this end, we propose the Inverse-Graphics Large Language Model (IG-LLM), an inverse-graphics framework centered around an LLM, that autoregressively decodes a visual embedding into a structured, compositional 3D-scene representation. We incorporate a frozen pre-trained visual encoder and a continuous numeric head to enable end-to-end training. Through our investigation, we demonstrate the potential of LLMs to facilitate inverse graphics through next-token prediction, without the use of image-space supervision. Our analysis opens up new possibilities for precise spatial reasoning about images that exploit the visual knowledge of LLMs. We will release our code and data to ensure the reproducibility of our investigation and to facilitate future research at https://ig-llm.is.tue.mpg.de/

We employ an inversion-based approach to examine CLIP models. Our examination reveals that inverting CLIP models results in the generation of images that exhibit semantic alignment with the specified target prompts. We leverage these inverted images to gain insights into various aspects of CLIP models, such as their ability to blend concepts and inclusion of gender biases. We notably observe instances of NSFW (Not Safe For Work) images during model inversion. This phenomenon occurs even for semantically innocuous prompts, like "a beautiful landscape," as well as for prompts involving the names of celebrities.

Normalising Flows are non-parametric statistical models characterised by their dual capabilities of density estimation and generation. This duality requires an inherently invertible architecture. However, the requirement of invertibility imposes constraints on their expressiveness, necessitating a large number of parameters and innovative architectural designs to achieve good results. Whilst flow-based models predominantly rely on neural-network-based transformations for expressive designs, alternative transformation methods have received limited attention. In this work, we present Ferumal flow, a novel kernelised normalising flow paradigm that integrates kernels into the framework. Our results demonstrate that a kernelised flow can yield competitive or superior results compared to neural network-based flows whilst maintaining parameter efficiency. Kernelised flows excel especially in the low-data regime, enabling flexible non-parametric density estimation in applications with sparse data availability.

Solving the inverse problem is the key step in evaluating the capacity of a physical model to describe real phenomena. In medical image computing, it aligns with the classical theme of image-based model personalization. Traditionally, a solution to the problem is obtained by performing either sampling or variational inference based methods. Both approaches aim to identify a set of free physical model parameters that results in a simulation best matching an empirical observation. When applied to brain tumor modeling, one of the instances of image-based model personalization in medical image computing, the overarching drawback of the methods is the time complexity for finding such a set. In a clinical setting with limited time between imaging and diagnosis or even intervention, this time complexity may prove critical. As the history of quantitative science is the history of compression, we align in this paper with the historical tendency and propose a method compressing complex traditional strategies for solving an inverse problem into a simple database query task. We evaluated different ways of performing the database query task assessing the trade-off between accuracy and execution time. On the exemplary task of brain tumor growth modeling, we prove that the proposed method achieves one order speed-up compared to existing approaches for solving the inverse problem. The resulting compute time offers critical means for relying on more complex and, hence, realistic models, for integrating image preprocessing and inverse modeling even deeper, or for implementing the current model into a clinical workflow.

We introduce LeapfrogLayers, an invertible neural network architecture that can be trained to efficiently sample the topology of a 2D U(1) lattice gauge theory. We show an improvement in the integrated autocorrelation time of the topological charge when compared with traditional HMC, and look at how different quantities transform under our model. Our implementation is open source, and is publicly available on github at https://github.com/saforem2/l2hmc-qcd.

Inverse of an invertible convolution is an important operation that comes up in Normalizing Flows, Image Deblurring, etc. The naive algorithm for backpropagation of this operation using Gaussian elimination has running time O(n^3) where n is the number of pixels in the image. We give a fast parallel backpropagation algorithm with running time O(n) for a square image and provide a GPU implementation of the same. Inverse Convolutions are usually used in Normalizing Flows in the sampling pass, making them slow. We propose to use Inverse Convolutions in the forward (image to latent vector) pass of the Normalizing flow. Since the sampling pass is the inverse of the forward pass, it will use convolutions only, resulting in efficient sampling times. We use our parallel backpropagation algorithm for optimizing the inverse convolution layer resulting in fast training times also. We implement this approach in various Normalizing Flow backbones, resulting in our Inverse-Flow models. We benchmark Inverse-Flow on standard datasets and show significantly improved sampling times with similar bits per dimension compared to previous models.

Inverse reinforcement learning (IRL) aims to infer an agent's preferences (represented as a reward function R) from their behaviour (represented as a policy pi). To do this, we need a behavioural model of how pi relates to R. In the current literature, the most common behavioural models are optimality, Boltzmann-rationality, and causal entropy maximisation. However, the true relationship between a human's preferences and their behaviour is much more complex than any of these behavioural models. This means that the behavioural models are misspecified, which raises the concern that they may lead to systematic errors if applied to real data. In this paper, we analyse how sensitive the IRL problem is to misspecification of the behavioural model. Specifically, we provide necessary and sufficient conditions that completely characterise how the observed data may differ from the assumed behavioural model without incurring an error above a given threshold. In addition to this, we also characterise the conditions under which a behavioural model is robust to small perturbations of the observed policy, and we analyse how robust many behavioural models are to misspecification of their parameter values (such as e.g.\ the discount rate). Our analysis suggests that the IRL problem is highly sensitive to misspecification, in the sense that very mild misspecification can lead to very large errors in the inferred reward function.

Model inversion (MI) attacks are aimed at reconstructing training data from model parameters. Such attacks have triggered increasing concerns about privacy, especially given a growing number of online model repositories. However, existing MI attacks against deep neural networks (DNNs) have large room for performance improvement. We present a novel inversion-specific GAN that can better distill knowledge useful for performing attacks on private models from public data. In particular, we train the discriminator to differentiate not only the real and fake samples but the soft-labels provided by the target model. Moreover, unlike previous work that directly searches for a single data point to represent a target class, we propose to model a private data distribution for each target class. Our experiments show that the combination of these techniques can significantly boost the success rate of the state-of-the-art MI attacks by 150%, and generalize better to a variety of datasets and models. Our code is available at https://github.com/SCccc21/Knowledge-Enriched-DMI.

Neural networks are famously nonlinear. However, linearity is defined relative to a pair of vector spaces, f:XtoY. Is it possible to identify a pair of non-standard vector spaces for which a conventionally nonlinear function is, in fact, linear? This paper introduces a method that makes such vector spaces explicit by construction. We find that if we sandwich a linear operator A between two invertible neural networks, f(x)=g_y^{-1}(A g_x(x)), then the corresponding vector spaces X and Y are induced by newly defined addition and scaling actions derived from g_x and g_y. We term this kind of architecture a Linearizer. This framework makes the entire arsenal of linear algebra, including SVD, pseudo-inverse, orthogonal projection and more, applicable to nonlinear mappings. Furthermore, we show that the composition of two Linearizers that share a neural network is also a Linearizer. We leverage this property and demonstrate that training diffusion models using our architecture makes the hundreds of sampling steps collapse into a single step. We further utilize our framework to enforce idempotency (i.e. f(f(x))=f(x)) on networks leading to a globally projective generative model and to demonstrate modular style transfer.

Diffusion models are a family of generative models that yield record-breaking performance in tasks such as image synthesis, video generation, and molecule design. Despite their capabilities, their efficiency, especially in the reverse denoising process, remains a challenge due to slow convergence rates and high computational costs. In this work, we introduce an approach that leverages continuous dynamical systems to design a novel denoising network for diffusion models that is more parameter-efficient, exhibits faster convergence, and demonstrates increased noise robustness. Experimenting with denoising probabilistic diffusion models, our framework operates with approximately a quarter of the parameters and 30% of the Floating Point Operations (FLOPs) compared to standard U-Nets in Denoising Diffusion Probabilistic Models (DDPMs). Furthermore, our model is up to 70% faster in inference than the baseline models when measured in equal conditions while converging to better quality solutions.

Recent legislation has led to interest in machine unlearning, i.e., removing specific training samples from a predictive model as if they never existed in the training dataset. Unlearning may also be required due to corrupted/adversarial data or simply a user's updated privacy requirement. For models which require no training (k-NN), simply deleting the closest original sample can be effective. But this idea is inapplicable to models which learn richer representations. Recent ideas leveraging optimization-based updates scale poorly with the model dimension d, due to inverting the Hessian of the loss function. We use a variant of a new conditional independence coefficient, L-CODEC, to identify a subset of the model parameters with the most semantic overlap on an individual sample level. Our approach completely avoids the need to invert a (possibly) huge matrix. By utilizing a Markov blanket selection, we premise that L-CODEC is also suitable for deep unlearning, as well as other applications in vision. Compared to alternatives, L-CODEC makes approximate unlearning possible in settings that would otherwise be infeasible, including vision models used for face recognition, person re-identification and NLP models that may require unlearning samples identified for exclusion. Code can be found at https://github.com/vsingh-group/LCODEC-deep-unlearning/

Reverse derivative categories (RDCs) have recently been shown to be a suitable semantic framework for studying machine learning algorithms. Whereas emphasis has been put on training methodologies, less attention has been devoted to particular model classes: the concrete categories whose morphisms represent machine learning models. In this paper we study presentations by generators and equations of classes of RDCs. In particular, we propose polynomial circuits as a suitable machine learning model. We give an axiomatisation for these circuits and prove a functional completeness result. Finally, we discuss the use of polynomial circuits over specific semirings to perform machine learning with discrete values.

Text-to-image diffusion models offer powerful image editing capabilities. To edit real images, many methods rely on the inversion of the image into Gaussian noise. A common approach to invert an image is to gradually add noise to the image, where the noise is determined by reversing the sampling equation. This process has an inherent tradeoff between reconstruction and editability, limiting the editing of challenging images such as highly-detailed ones. Recognizing the reliance of text-to-image models inversion on a text condition, this work explores the importance of the condition choice. We show that a condition that precisely aligns with the input image significantly improves the inversion quality. Based on our findings, we introduce Tight Inversion, an inversion method that utilizes the most possible precise condition -- the input image itself. This tight condition narrows the distribution of the model's output and enhances both reconstruction and editability. We demonstrate the effectiveness of our approach when combined with existing inversion methods through extensive experiments, evaluating the reconstruction accuracy as well as the integration with various editing methods.

Diffusion models are a powerful class of generative models which simulate stochastic differential equations (SDEs) to generate data from noise. While diffusion models have achieved remarkable progress, they have limitations in unpaired image-to-image (I2I) translation tasks due to the Gaussian prior assumption. Schr\"{o}dinger Bridge (SB), which learns an SDE to translate between two arbitrary distributions, have risen as an attractive solution to this problem. Yet, to our best knowledge, none of SB models so far have been successful at unpaired translation between high-resolution images. In this work, we propose Unpaired Neural Schr\"{o}dinger Bridge (UNSB), which expresses the SB problem as a sequence of adversarial learning problems. This allows us to incorporate advanced discriminators and regularization to learn a SB between unpaired data. We show that UNSB is scalable and successfully solves various unpaired I2I translation tasks. Code: https://github.com/cyclomon/UNSB

Generative models are a class of machine learning models that aim to learn the underlying probability distribution of data. Unlike discriminative models, generative models focus on capturing the data's inherent structure, allowing them to generate new samples that resemble the original data. To fully exploit the potential of modeling probability distributions using quantum physics, a quantum-inspired generative model known as the Born machines have shown great advancements in learning classical and quantum data over matrix product state(MPS) framework. The Born machines support tractable log-likelihood, autoregressive and mask sampling, and have shown outstanding performance in various unsupervised learning tasks. However, much of the current research has been centered on improving the expressive power of MPS, predominantly embedding each token directly by a corresponding tensor index. In this study, we generalize the embedding method into trainable quantum measurement operators that can be simultaneously honed with MPS. Our study indicated that combined with trainable embedding, Born machines can exhibit better performance and learn deeper correlations from the dataset.

Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.

Given the ubiquity of deep neural networks, it is important that these models do not reveal information about sensitive data that they have been trained on. In model inversion attacks, a malicious user attempts to recover the private dataset used to train a supervised neural network. A successful model inversion attack should generate realistic and diverse samples that accurately describe each of the classes in the private dataset. In this work, we provide a probabilistic interpretation of model inversion attacks, and formulate a variational objective that accounts for both diversity and accuracy. In order to optimize this variational objective, we choose a variational family defined in the code space of a deep generative model, trained on a public auxiliary dataset that shares some structural similarity with the target dataset. Empirically, our method substantially improves performance in terms of target attack accuracy, sample realism, and diversity on datasets of faces and chest X-ray images.

This work introduces the Efficient Transformed Gaussian Process (ETGP), a new way of creating C stochastic processes characterized by: 1) the C processes are non-stationary, 2) the C processes are dependent by construction without needing a mixing matrix, 3) training and making predictions is very efficient since the number of Gaussian Processes (GP) operations (e.g. inverting the inducing point's covariance matrix) do not depend on the number of processes. This makes the ETGP particularly suited for multi-class problems with a very large number of classes, which are the problems studied in this work. ETGPs exploit the recently proposed Transformed Gaussian Process (TGP), a stochastic process specified by transforming a Gaussian Process using an invertible transformation. However, unlike TGPs, ETGPs are constructed by transforming a single sample from a GP using C invertible transformations. We derive an efficient sparse variational inference algorithm for the proposed model and demonstrate its utility in 5 classification tasks which include low/medium/large datasets and a different number of classes, ranging from just a few to hundreds. Our results show that ETGPs, in general, outperform state-of-the-art methods for multi-class classification based on GPs, and have a lower computational cost (around one order of magnitude smaller).

Diffusion models have emerged as the new state-of-the-art generative model with high quality samples, with intriguing properties such as mode coverage and high flexibility. They have also been shown to be effective inverse problem solvers, acting as the prior of the distribution, while the information of the forward model can be granted at the sampling stage. Nonetheless, as the generative process remains in the same high dimensional (i.e. identical to data dimension) space, the models have not been extended to 3D inverse problems due to the extremely high memory and computational cost. In this paper, we combine the ideas from the conventional model-based iterative reconstruction with the modern diffusion models, which leads to a highly effective method for solving 3D medical image reconstruction tasks such as sparse-view tomography, limited angle tomography, compressed sensing MRI from pre-trained 2D diffusion models. In essence, we propose to augment the 2D diffusion prior with a model-based prior in the remaining direction at test time, such that one can achieve coherent reconstructions across all dimensions. Our method can be run in a single commodity GPU, and establishes the new state-of-the-art, showing that the proposed method can perform reconstructions of high fidelity and accuracy even in the most extreme cases (e.g. 2-view 3D tomography). We further reveal that the generalization capacity of the proposed method is surprisingly high, and can be used to reconstruct volumes that are entirely different from the training dataset.

Despite unconditional feature inversion being the foundation of many image synthesis applications, training an inverter demands a high computational budget, large decoding capacity and imposing conditions such as autoregressive priors. To address these limitations, we propose the use of adversarially robust representations as a perceptual primitive for feature inversion. We train an adversarially robust encoder to extract disentangled and perceptually-aligned image representations, making them easily invertible. By training a simple generator with the mirror architecture of the encoder, we achieve superior reconstruction quality and generalization over standard models. Based on this, we propose an adversarially robust autoencoder and demonstrate its improved performance on style transfer, image denoising and anomaly detection tasks. Compared to recent ImageNet feature inversion methods, our model attains improved performance with significantly less complexity.

The reverse derivative is a fundamental operation in machine learning and automatic differentiation. This paper gives a direct axiomatization of a category with a reverse derivative operation, in a similar style to that given by Cartesian differential categories for a forward derivative. Intriguingly, a category with a reverse derivative also has a forward derivative, but the converse is not true. In fact, we show explicitly what a forward derivative is missing: a reverse derivative is equivalent to a forward derivative with a dagger structure on its subcategory of linear maps. Furthermore, we show that these linear maps form an additively enriched category with dagger biproducts.

Many machine learning methods operate by inverting a neural network at inference time, which has become a popular technique for solving inverse problems in computer vision, robotics, and graphics. However, these methods often involve gradient descent through a highly non-convex loss landscape, causing the optimization process to be unstable and slow. We introduce a method that learns a loss landscape where gradient descent is efficient, bringing massive improvement and acceleration to the inversion process. We demonstrate this advantage on a number of methods for both generative and discriminative tasks, including GAN inversion, adversarial defense, and 3D human pose reconstruction.

Recent work has identified simple empirical scaling laws for language models, linking compute budget, dataset size, model size, and autoregressive modeling loss. The validity of these simple power laws across orders of magnitude in model scale provides compelling evidence that larger models are also more capable models. However, scaling up models under the constraints of hardware and infrastructure is no easy feat, and rapidly becomes a hard and expensive engineering problem. We investigate ways to tentatively cheat scaling laws, and train larger models for cheaper. We emulate an increase in effective parameters, using efficient approximations: either by doping the models with frozen random parameters, or by using fast structured transforms in place of dense linear layers. We find that the scaling relationship between test loss and compute depends only on the actual number of trainable parameters; scaling laws cannot be deceived by spurious parameters.

This paper studies defense mechanisms against model inversion (MI) attacks -- a type of privacy attacks aimed at inferring information about the training data distribution given the access to a target machine learning model. Existing defense mechanisms rely on model-specific heuristics or noise injection. While being able to mitigate attacks, existing methods significantly hinder model performance. There remains a question of how to design a defense mechanism that is applicable to a variety of models and achieves better utility-privacy tradeoff. In this paper, we propose the Mutual Information Regularization based Defense (MID) against MI attacks. The key idea is to limit the information about the model input contained in the prediction, thereby limiting the ability of an adversary to infer the private training attributes from the model prediction. Our defense principle is model-agnostic and we present tractable approximations to the regularizer for linear regression, decision trees, and neural networks, which have been successfully attacked by prior work if not attached with any defenses. We present a formal study of MI attacks by devising a rigorous game-based definition and quantifying the associated information leakage. Our theoretical analysis sheds light on the inefficacy of DP in defending against MI attacks, which has been empirically observed in several prior works. Our experiments demonstrate that MID leads to state-of-the-art performance for a variety of MI attacks, target models and datasets.

Given the exponential growth of the volume of the ball w.r.t. its radius, the hyperbolic space is capable of embedding trees with arbitrarily small distortion and hence has received wide attention for representing hierarchical datasets. However, this exponential growth property comes at a price of numerical instability such that training hyperbolic learning models will sometimes lead to catastrophic NaN problems, encountering unrepresentable values in floating point arithmetic. In this work, we carefully analyze the limitation of two popular models for the hyperbolic space, namely, the Poincar\'e ball and the Lorentz model. We first show that, under the 64 bit arithmetic system, the Poincar\'e ball has a relatively larger capacity than the Lorentz model for correctly representing points. Then, we theoretically validate the superiority of the Lorentz model over the Poincar\'e ball from the perspective of optimization. Given the numerical limitations of both models, we identify one Euclidean parametrization of the hyperbolic space which can alleviate these limitations. We further extend this Euclidean parametrization to hyperbolic hyperplanes and exhibits its ability in improving the performance of hyperbolic SVM.

We propose iterative inversion -- an algorithm for learning an inverse function without input-output pairs, but only with samples from the desired output distribution and access to the forward function. The key challenge is a distribution shift between the desired outputs and the outputs of an initial random guess, and we prove that iterative inversion can steer the learning correctly, under rather strict conditions on the function. We apply iterative inversion to learn control. Our input is a set of demonstrations of desired behavior, given as video embeddings of trajectories (without actions), and our method iteratively learns to imitate trajectories generated by the current policy, perturbed by random exploration noise. Our approach does not require rewards, and only employs supervised learning, which can be easily scaled to use state-of-the-art trajectory embedding techniques and policy representations. Indeed, with a VQ-VAE embedding, and a transformer-based policy, we demonstrate non-trivial continuous control on several tasks. Further, we report an improved performance on imitating diverse behaviors compared to reward based methods.

Generative models transform random noise into images; their inversion aims to transform images back to structured noise for recovery and editing. This paper addresses two key tasks: (i) inversion and (ii) editing of a real image using stochastic equivalents of rectified flow models (such as Flux). Although Diffusion Models (DMs) have recently dominated the field of generative modeling for images, their inversion presents faithfulness and editability challenges due to nonlinearities in drift and diffusion. Existing state-of-the-art DM inversion approaches rely on training of additional parameters or test-time optimization of latent variables; both are expensive in practice. Rectified Flows (RFs) offer a promising alternative to diffusion models, yet their inversion has been underexplored. We propose RF inversion using dynamic optimal control derived via a linear quadratic regulator. We prove that the resulting vector field is equivalent to a rectified stochastic differential equation. Additionally, we extend our framework to design a stochastic sampler for Flux. Our inversion method allows for state-of-the-art performance in zero-shot inversion and editing, outperforming prior works in stroke-to-image synthesis and semantic image editing, with large-scale human evaluations confirming user preference.

Large language models perform near-Bayesian inference yet violate permutation invariance on exchangeable data. We resolve this by showing transformers minimize expected conditional description length (cross-entropy) over orderings, E_pi[ell(Y mid Gamma_pi(X))], which admits a Kolmogorov-complexity interpretation up to additive constants, rather than the permutation-invariant description length ell(Y mid X). This makes them Bayesian in expectation, not in realization. We derive (i) a Quantified Martingale Violation bound showing order-induced deviations scale as O(log n) with constants; (ii) the Expectation-level Decompression Law linking information budgets to reliability for Bernoulli predicates; and (iii) deployable planners (B2T/RoH/ISR) for answer/abstain decisions. Empirically, permutation dispersion follows a+bln n (Qwen2-7B b approx 0.377, Llama-3.1-8B b approx 0.147); permutation mixtures improve ground-truth likelihood/accuracy; and randomized dose-response shows hallucinations drop by sim 0.13 per additional nat. A pre-specified audit with a fixed ISR=1.0 achieves near-0\% hallucinations via calibrated refusal at 24\% abstention. The framework turns hallucinations into predictable compression failures and enables principled information budgeting.

Practical identifiability is a critical concern in data-driven modeling of mathematical systems. In this paper, we propose a novel framework for practical identifiability analysis to evaluate parameter identifiability in mathematical models of biological systems. Starting with a rigorous mathematical definition of practical identifiability, we demonstrate its equivalence to the invertibility of the Fisher Information Matrix. Our framework establishes the relationship between practical identifiability and coordinate identifiability, introducing a novel metric that simplifies and accelerates the evaluation of parameter identifiability compared to the profile likelihood method. Additionally, we introduce new regularization terms to address non-identifiable parameters, enabling uncertainty quantification and improving model reliability. To guide experimental design, we present an optimal data collection algorithm that ensures all model parameters are practically identifiable. Applications to Hill functions, neural networks, and dynamic biological models demonstrate the feasibility and efficiency of the proposed computational framework in uncovering critical biological processes and identifying key observable variables.

Large Language Models (LLMs) achieve strong performance on diverse tasks but often exhibit cognitive inertia, struggling to follow instructions that conflict with the standardized patterns learned during supervised fine-tuning (SFT). To evaluate this limitation, we propose Inverse IFEval, a benchmark that measures models Counter-intuitive Abilitytheir capacity to override training-induced biases and comply with adversarial instructions. Inverse IFEval introduces eight types of such challenges, including Question Correction, Intentional Textual Flaws, Code without Comments, and Counterfactual Answering. Using a human-in-the-loop pipeline, we construct a dataset of 1012 high-quality Chinese and English questions across 23 domains, evaluated under an optimized LLM-as-a-Judge framework. Experiments on existing leading LLMs demonstrate the necessity of our proposed Inverse IFEval benchmark. Our findings emphasize that future alignment efforts should not only pursue fluency and factual correctness but also account for adaptability under unconventional contexts. We hope that Inverse IFEval serves as both a diagnostic tool and a foundation for developing methods that mitigate cognitive inertia, reduce overfitting to narrow patterns, and ultimately enhance the instruction-following reliability of LLMs in diverse and unpredictable real-world scenarios.

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy. Our code can be found at https://github.com/plai-group/gsdm.

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is typically formulated as an optimization problem, with recent works leveraging optimization across learned dynamics models. However, as models are optimized they tend to fall into adversarial modes, preventing effective sampling. We illustrate that by instead optimizing over the learned energy function captured by the diffusion model, we can avoid such adversarial examples and significantly improve design performance. We further illustrate how such a design system is compositional, enabling us to combine multiple different diffusion models representing subcomponents of our desired system to design systems with every specified component. In an N-body interaction task and a challenging 2D multi-airfoil design task, we demonstrate that by composing the learned diffusion model at test time, our method allows us to design initial states and boundary shapes that are more complex than those in the training data. Our method generalizes to more objects for N-body dataset and discovers formation flying to minimize drag in the multi-airfoil design task. Project website and code can be found at https://github.com/AI4Science-WestlakeU/cindm.

When solving inverse problems, it is increasingly popular to use pre-trained diffusion models as plug-and-play priors. This framework can accommodate different forward models without re-training while preserving the generative capability of diffusion models. Despite their success in many imaging inverse problems, most existing methods rely on privileged information such as derivative, pseudo-inverse, or full knowledge about the forward model. This reliance poses a substantial limitation that restricts their use in a wide range of problems where such information is unavailable, such as in many scientific applications. To address this issue, we propose Ensemble Kalman Diffusion Guidance (EnKG) for diffusion models, a derivative-free approach that can solve inverse problems by only accessing forward model evaluations and a pre-trained diffusion model prior. We study the empirical effectiveness of our method across various inverse problems, including scientific settings such as inferring fluid flows and astronomical objects, which are highly non-linear inverse problems that often only permit black-box access to the forward model.

It is well-known that inverse dynamics models can improve tracking performance in robot control. These models need to precisely capture the robot dynamics, which consist of well-understood components, e.g., rigid body dynamics, and effects that remain challenging to capture, e.g., stick-slip friction and mechanical flexibilities. Such effects exhibit hysteresis and partial observability, rendering them, particularly challenging to model. Hence, hybrid models, which combine a physical prior with data-driven approaches are especially well-suited in this setting. We present a novel hybrid model formulation that enables us to identify fully physically consistent inertial parameters of a rigid body dynamics model which is paired with a recurrent neural network architecture, allowing us to capture unmodeled partially observable effects using the network memory. We compare our approach against state-of-the-art inverse dynamics models on a 7 degree of freedom manipulator. Using data sets obtained through an optimal experiment design approach, we study the accuracy of offline torque prediction and generalization capabilities of joint learning methods. In control experiments on the real system, we evaluate the model as a feed-forward term for impedance control and show the feedback gains can be drastically reduced to achieve a given tracking accuracy.

Recent text-guided diffusion models provide powerful image generation capabilities. Currently, a massive effort is given to enable the modification of these images using text only as means to offer intuitive and versatile editing. To edit a real image using these state-of-the-art tools, one must first invert the image with a meaningful text prompt into the pretrained model's domain. In this paper, we introduce an accurate inversion technique and thus facilitate an intuitive text-based modification of the image. Our proposed inversion consists of two novel key components: (i) Pivotal inversion for diffusion models. While current methods aim at mapping random noise samples to a single input image, we use a single pivotal noise vector for each timestamp and optimize around it. We demonstrate that a direct inversion is inadequate on its own, but does provide a good anchor for our optimization. (ii) NULL-text optimization, where we only modify the unconditional textual embedding that is used for classifier-free guidance, rather than the input text embedding. This allows for keeping both the model weights and the conditional embedding intact and hence enables applying prompt-based editing while avoiding the cumbersome tuning of the model's weights. Our Null-text inversion, based on the publicly available Stable Diffusion model, is extensively evaluated on a variety of images and prompt editing, showing high-fidelity editing of real images.

We give a simple, fully correct, and assumption-light replacement for the contested "domain-extension" in Step 9 of a recent windowed-QFT lattice algorithm with complex-Gaussian windows~chen2024quantum. The published Step~9 suffers from a periodicity/support mismatch. We present a pair-shift difference construction that coherently cancels all unknown offsets, produces an exact uniform CRT-coset state over Z_{P}, and then uses the QFT to enforce the intended modular linear relation. The unitary is reversible, uses poly(log M_2) gates, and preserves the algorithm's asymptotics. Project Page: https://github.com/yifanzhang-pro/quantum-lattice.

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.

In this technical note, we study the problem of inverse permutation learning in decoder-only transformers. Given a permutation and a string to which that permutation has been applied, the model is tasked with producing the original (``canonical'') string. We argue that this task models a natural robustness property across a variety of reasoning tasks, including long-context retrieval, multiple choice QA and in-context learning. Our primary contribution is an impossibility result: we show that an arbitrary depth, decoder-only transformer cannot learn this task. This result concerns the expressive capacity of decoder-only transformer models and is agnostic to training dynamics or sample complexity. We give a pair of alternative constructions under which inverse permutation learning is feasible. The first of these highlights the fundamental role of the causal attention mask, and reveals a gap between the expressivity of encoder-decoder transformers and the more popular decoder-only architecture. The latter result is more surprising: we show that simply padding the input with ``scratch tokens" yields a construction under which inverse permutation learning is possible. We conjecture that this may suggest an alternative mechanism by which chain-of-thought prompting or, more generally, intermediate ``thinking'' tokens can enable reasoning in large language models, even when these tokens encode no meaningful semantic information (e.g., the results of intermediate computations).

Inverse design refers to the problem of optimizing the input of an objective function in order to enact a target outcome. For many real-world engineering problems, the objective function takes the form of a simulator that predicts how the system state will evolve over time, and the design challenge is to optimize the initial conditions that lead to a target outcome. Recent developments in learned simulation have shown that graph neural networks (GNNs) can be used for accurate, efficient, differentiable estimation of simulator dynamics, and support high-quality design optimization with gradient- or sampling-based optimization procedures. However, optimizing designs from scratch requires many expensive model queries, and these procedures exhibit basic failures on either non-convex or high-dimensional problems.In this work, we show how denoising diffusion models (DDMs) can be used to solve inverse design problems efficiently and propose a particle sampling algorithm for further improving their efficiency. We perform experiments on a number of fluid dynamics design challenges, and find that our approach substantially reduces the number of calls to the simulator compared to standard techniques.

Existing techniques for model inversion typically rely on hard-to-tune regularizers, such as total variation or feature regularization, which must be individually calibrated for each network in order to produce adequate images. In this work, we introduce Plug-In Inversion, which relies on a simple set of augmentations and does not require excessive hyper-parameter tuning. Under our proposed augmentation-based scheme, the same set of augmentation hyper-parameters can be used for inverting a wide range of image classification models, regardless of input dimensions or the architecture. We illustrate the practicality of our approach by inverting Vision Transformers (ViTs) and Multi-Layer Perceptrons (MLPs) trained on the ImageNet dataset, tasks which to the best of our knowledge have not been successfully accomplished by any previous works.

Multimodal contrastive learning models like CLIP have demonstrated remarkable vision-language alignment capabilities, yet their vulnerability to backdoor attacks poses critical security risks. Attackers can implant latent triggers that persist through downstream tasks, enabling malicious control of model behavior upon trigger presentation. Despite great success in recent defense mechanisms, they remain impractical due to strong assumptions about attacker knowledge or excessive clean data requirements. In this paper, we introduce InverTune, the first backdoor defense framework for multimodal models under minimal attacker assumptions, requiring neither prior knowledge of attack targets nor access to the poisoned dataset. Unlike existing defense methods that rely on the same dataset used in the poisoning stage, InverTune effectively identifies and removes backdoor artifacts through three key components, achieving robust protection against backdoor attacks. Specifically, InverTune first exposes attack signatures through adversarial simulation, probabilistically identifying the target label by analyzing model response patterns. Building on this, we develop a gradient inversion technique to reconstruct latent triggers through activation pattern analysis. Finally, a clustering-guided fine-tuning strategy is employed to erase the backdoor function with only a small amount of arbitrary clean data, while preserving the original model capabilities. Experimental results show that InverTune reduces the average attack success rate (ASR) by 97.87% against the state-of-the-art (SOTA) attacks while limiting clean accuracy (CA) degradation to just 3.07%. This work establishes a new paradigm for securing multimodal systems, advancing security in foundation model deployment without compromising performance.

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies to compute forces and higher-order derivatives. Furthermore, such densities are often defined on non-trivial topologies. A recent example are Boltzmann Generators for generating 3D-structures of peptides and small proteins. These generative models leverage the space of internal coordinates (dihedrals, angles, and bonds), which is a product of hypertori and compact intervals. In this work, we introduce a class of smooth mixture transformations working on both compact intervals and hypertori. Mixture transformations employ root-finding methods to invert them in practice, which has so far prevented bi-directional flow training. To this end, we show that parameter gradients and forces of such inverses can be computed from forward evaluations via the inverse function theorem. We demonstrate two advantages of such smooth flows: they allow training by force matching to simulation data and can be used as potentials in molecular dynamics simulations.

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.

Crystal symmetry plays a fundamental role in determining its physical, chemical, and electronic properties such as electrical and thermal conductivity, optical and polarization behavior, and mechanical strength. Almost all known crystalline materials have internal symmetry. However, this is often inadequately addressed by existing generative models, making the consistent generation of stable and symmetrically valid crystal structures a significant challenge. We introduce WyFormer, a generative model that directly tackles this by formally conditioning on space group symmetry. It achieves this by using Wyckoff positions as the basis for an elegant, compressed, and discrete structure representation. To model the distribution, we develop a permutation-invariant autoregressive model based on the Transformer encoder and an absence of positional encoding. Extensive experimentation demonstrates WyFormer's compelling combination of attributes: it achieves best-in-class symmetry-conditioned generation, incorporates a physics-motivated inductive bias, produces structures with competitive stability, predicts material properties with competitive accuracy even without atomic coordinates, and exhibits unparalleled inference speed.

Mechanistic Interpretability aims to reverse engineer the algorithms implemented by neural networks by studying their weights and activations. An obstacle to reverse engineering neural networks is that many of the parameters inside a network are not involved in the computation being implemented by the network. These degenerate parameters may obfuscate internal structure. Singular learning theory teaches us that neural network parameterizations are biased towards being more degenerate, and parameterizations with more degeneracy are likely to generalize further. We identify 3 ways that network parameters can be degenerate: linear dependence between activations in a layer; linear dependence between gradients passed back to a layer; ReLUs which fire on the same subset of datapoints. We also present a heuristic argument that modular networks are likely to be more degenerate, and we develop a metric for identifying modules in a network that is based on this argument. We propose that if we can represent a neural network in a way that is invariant to reparameterizations that exploit the degeneracies, then this representation is likely to be more interpretable, and we provide some evidence that such a representation is likely to have sparser interactions. We introduce the Interaction Basis, a tractable technique to obtain a representation that is invariant to degeneracies from linear dependence of activations or Jacobians.

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.

Work on scaling laws has found that large language models (LMs) show predictable improvements to overall loss with increased scale (model size, training data, and compute). Here, we present evidence for the claim that LMs may show inverse scaling, or worse task performance with increased scale, e.g., due to flaws in the training objective and data. We present empirical evidence of inverse scaling on 11 datasets collected by running a public contest, the Inverse Scaling Prize, with a substantial prize pool. Through analysis of the datasets, along with other examples found in the literature, we identify four potential causes of inverse scaling: (i) preference to repeat memorized sequences over following in-context instructions, (ii) imitation of undesirable patterns in the training data, (iii) tasks containing an easy distractor task which LMs could focus on, rather than the harder real task, and (iv) correct but misleading few-shot demonstrations of the task. We release the winning datasets at https://inversescaling.com/data to allow for further investigation of inverse scaling. Our tasks have helped drive the discovery of U-shaped and inverted-U scaling trends, where an initial trend reverses, suggesting that scaling trends are less reliable at predicting the behavior of larger-scale models than previously understood. Overall, our results suggest that there are tasks for which increased model scale alone may not lead to progress, and that more careful thought needs to go into the data and objectives for training language models.

Bayes' rule tells us how to invert a causal process in order to update our beliefs in light of new evidence. If the process is believed to have a complex compositional structure, we may observe that the inversion of the whole can be computed piecewise in terms of the component processes. We study the structure of this compositional rule, noting that it relates to the lens pattern in functional programming. Working in a suitably general axiomatic presentation of a category of Markov kernels, we see how we can think of Bayesian inversion as a particular instance of a state-dependent morphism in a fibred category. We discuss the compositional nature of this, formulated as a functor on the underlying category and explore how this can used for a more type-driven approach to statistical inference.

Datasets often have their intrinsic symmetries, and particular deep-learning models called equivariant or invariant models have been developed to exploit these symmetries. However, if some or all of these symmetries are only approximate, which frequently happens in practice, these models may be suboptimal due to the architectural restrictions imposed on them. We tackle this issue of approximate symmetries in a setup where symmetries are mixed, i.e., they are symmetries of not single but multiple different types and the degree of approximation varies across these types. Instead of proposing a new architectural restriction as in most of the previous approaches, we present a regularizer-based method for building a model for a dataset with mixed approximate symmetries. The key component of our method is what we call equivariance regularizer for a given type of symmetries, which measures how much a model is equivariant with respect to the symmetries of the type. Our method is trained with these regularizers, one per each symmetry type, and the strength of the regularizers is automatically tuned during training, leading to the discovery of the approximation levels of some candidate symmetry types without explicit supervision. Using synthetic function approximation and motion forecasting tasks, we demonstrate that our method achieves better accuracy than prior approaches while discovering the approximate symmetry levels correctly.

Diffusion model-based inverse problem solvers have shown impressive performance, but are limited in speed, mostly as they require reverse diffusion sampling starting from noise. Several recent works have tried to alleviate this problem by building a diffusion process, directly bridging the clean and the corrupted for specific inverse problems. In this paper, we first unify these existing works under the name Direct Diffusion Bridges (DDB), showing that while motivated by different theories, the resulting algorithms only differ in the choice of parameters. Then, we highlight a critical limitation of the current DDB framework, namely that it does not ensure data consistency. To address this problem, we propose a modified inference procedure that imposes data consistency without the need for fine-tuning. We term the resulting method data Consistent DDB (CDDB), which outperforms its inconsistent counterpart in terms of both perception and distortion metrics, thereby effectively pushing the Pareto-frontier toward the optimum. Our proposed method achieves state-of-the-art results on both evaluation criteria, showcasing its superiority over existing methods.

This paper focuses on the construction of a general parametric model that can be implemented executing multiple swap tests over few qubits and applying a suitable measurement protocol. The model turns out to be equivalent to a two-layer feedforward neural network which can be realized combining small quantum modules. The advantages and the perspectives of the proposed quantum method are discussed.

Finding an initial noise vector that produces an input image when fed into the diffusion process (known as inversion) is an important problem in denoising diffusion models (DDMs), with applications for real image editing. The state-of-the-art approach for real image editing with inversion uses denoising diffusion implicit models (DDIMs) to deterministically noise the image to the intermediate state along the path that the denoising would follow given the original conditioning. However, DDIM inversion for real images is unstable as it relies on local linearization assumptions, which result in the propagation of errors, leading to incorrect image reconstruction and loss of content. To alleviate these problems, we propose Exact Diffusion Inversion via Coupled Transformations (EDICT), an inversion method that draws inspiration from affine coupling layers. EDICT enables mathematically exact inversion of real and model-generated images by maintaining two coupled noise vectors which are used to invert each other in an alternating fashion. Using Stable Diffusion, a state-of-the-art latent diffusion model, we demonstrate that EDICT successfully reconstructs real images with high fidelity. On complex image datasets like MS-COCO, EDICT reconstruction significantly outperforms DDIM, improving the mean square error of reconstruction by a factor of two. Using noise vectors inverted from real images, EDICT enables a wide range of image edits--from local and global semantic edits to image stylization--while maintaining fidelity to the original image structure. EDICT requires no model training/finetuning, prompt tuning, or extra data and can be combined with any pretrained DDM. Code is available at https://github.com/salesforce/EDICT.

Several studies have compared the in-distribution (ID) and out-of-distribution (OOD) performance of models in computer vision and NLP. They report a frequent positive correlation and some surprisingly never even observe an inverse correlation indicative of a necessary trade-off. The possibility of inverse patterns is important to determine whether ID performance can serve as a proxy for OOD generalization capabilities. This paper shows with multiple datasets that inverse correlations between ID and OOD performance do happen in real-world data - not only in theoretical worst-case settings. We also explain theoretically how these cases can arise even in a minimal linear setting, and why past studies could miss such cases due to a biased selection of models. Our observations lead to recommendations that contradict those found in much of the current literature. - High OOD performance sometimes requires trading off ID performance. - Focusing on ID performance alone may not lead to optimal OOD performance. It may produce diminishing (eventually negative) returns in OOD performance. - In these cases, studies on OOD generalization that use ID performance for model selection (a common recommended practice) will necessarily miss the best-performing models, making these studies blind to a whole range of phenomena.

Bayes' rule tells us how to invert a causal process in order to update our beliefs in light of new evidence. If the process is believed to have a complex compositional structure, we may ask whether composing the inversions of the component processes gives the same belief update as the inversion of the whole. We answer this question affirmatively, showing that the relevant compositional structure is precisely that of the lens pattern, and that we can think of Bayesian inversion as a particular instance of a state-dependent morphism in a corresponding fibred category. We define a general notion of (mixed) Bayesian lens, and discuss the (un)lawfulness of these lenses when their contravariant components are exact Bayesian inversions. We prove our main result both abstractly and concretely, for both discrete and continuous states, taking care to illustrate the common structures.

We introduce a parametric nonlinear transformation that is well-suited for Gaussianizing data from natural images. The data are linearly transformed, and each component is then normalized by a pooled activity measure, computed by exponentiating a weighted sum of rectified and exponentiated components and a constant. We optimize the parameters of the full transformation (linear transform, exponents, weights, constant) over a database of natural images, directly minimizing the negentropy of the responses. The optimized transformation substantially Gaussianizes the data, achieving a significantly smaller mutual information between transformed components than alternative methods including ICA and radial Gaussianization. The transformation is differentiable and can be efficiently inverted, and thus induces a density model on images. We show that samples of this model are visually similar to samples of natural image patches. We demonstrate the use of the model as a prior probability density that can be used to remove additive noise. Finally, we show that the transformation can be cascaded, with each layer optimized using the same Gaussianization objective, thus offering an unsupervised method of optimizing a deep network architecture.

We introduce Reverse Derivative Ascent: a categorical analogue of gradient based methods for machine learning. Our algorithm is defined at the level of so-called reverse differential categories. It can be used to learn the parameters of models which are expressed as morphisms of such categories. Our motivating example is boolean circuits: we show how our algorithm can be applied to such circuits by using the theory of reverse differential categories. Note our methodology allows us to learn the parameters of boolean circuits directly, in contrast to existing binarised neural network approaches. Moreover, we demonstrate its empirical value by giving experimental results on benchmark machine learning datasets.

We generalise an existing construction of Bayesian Lenses to admit lenses between pairs of objects where the backwards object is dependent on states on the forwards object (interpreted as probability distributions). This gives a natural setting for studying stochastic maps with Bayesian inverses restricted to the points supported by a given prior. In order to state this formally we develop a proposed definition by Fritz of a support object in a Markov category and show that these give rise to a section into the category of dependent Bayesian lenses encoding a more canonical notion of Bayesian inversion.

Model Inversion (MI) attacks aim to reconstruct private training data by abusing access to machine learning models. Contemporary MI attacks have achieved impressive attack performance, posing serious threats to privacy. Meanwhile, all existing MI defense methods rely on regularization that is in direct conflict with the training objective, resulting in noticeable degradation in model utility. In this work, we take a different perspective, and propose a novel and simple Transfer Learning-based Defense against Model Inversion (TL-DMI) to render MI-robust models. Particularly, by leveraging TL, we limit the number of layers encoding sensitive information from private training dataset, thereby degrading the performance of MI attack. We conduct an analysis using Fisher Information to justify our method. Our defense is remarkably simple to implement. Without bells and whistles, we show in extensive experiments that TL-DMI achieves state-of-the-art (SOTA) MI robustness. Our code, pre-trained models, demo and inverted data are available at: https://hosytuyen.github.io/projects/TL-DMI

Recent advancements in text-guided diffusion models have unlocked powerful image manipulation capabilities. However, applying these methods to real images necessitates the inversion of the images into the domain of the pretrained diffusion model. Achieving faithful inversion remains a challenge, particularly for more recent models trained to generate images with a small number of denoising steps. In this work, we introduce an inversion method with a high quality-to-operation ratio, enhancing reconstruction accuracy without increasing the number of operations. Building on reversing the diffusion sampling process, our method employs an iterative renoising mechanism at each inversion sampling step. This mechanism refines the approximation of a predicted point along the forward diffusion trajectory, by iteratively applying the pretrained diffusion model, and averaging these predictions. We evaluate the performance of our ReNoise technique using various sampling algorithms and models, including recent accelerated diffusion models. Through comprehensive evaluations and comparisons, we show its effectiveness in terms of both accuracy and speed. Furthermore, we confirm that our method preserves editability by demonstrating text-driven image editing on real images.

One method for obtaining generalizable solutions to machine learning tasks when presented with diverse training environments is to find invariant representations of the data. These are representations of the covariates such that the best model on top of the representation is invariant across training environments. In the context of linear Structural Equation Models (SEMs), invariant representations might allow us to learn models with out-of-distribution guarantees, i.e., models that are robust to interventions in the SEM. To address the invariant representation problem in a {\em finite sample} setting, we consider the notion of epsilon-approximate invariance. We study the following question: If a representation is approximately invariant with respect to a given number of training interventions, will it continue to be approximately invariant on a larger collection of unseen SEMs? This larger collection of SEMs is generated through a parameterized family of interventions. Inspired by PAC learning, we obtain finite-sample out-of-distribution generalization guarantees for approximate invariance that holds probabilistically over a family of linear SEMs without faithfulness assumptions. Our results show bounds that do not scale in ambient dimension when intervention sites are restricted to lie in a constant size subset of in-degree bounded nodes. We also show how to extend our results to a linear indirect observation model that incorporates latent variables.

The fidelity of Generative Adversarial Networks (GAN) inversion is impeded by Out-Of-Domain (OOD) areas (e.g., background, accessories) in the image. Detecting the OOD areas beyond the generation ability of the pre-trained model and blending these regions with the input image can enhance fidelity. The "invertibility mask" figures out these OOD areas, and existing methods predict the mask with the reconstruction error. However, the estimated mask is usually inaccurate due to the influence of the reconstruction error in the In-Domain (ID) area. In this paper, we propose a novel framework that enhances the fidelity of human face inversion by designing a new module to decompose the input images to ID and OOD partitions with invertibility masks. Unlike previous works, our invertibility detector is simultaneously learned with a spatial alignment module. We iteratively align the generated features to the input geometry and reduce the reconstruction error in the ID regions. Thus, the OOD areas are more distinguishable and can be precisely predicted. Then, we improve the fidelity of our results by blending the OOD areas from the input image with the ID GAN inversion results. Our method produces photo-realistic results for real-world human face image inversion and manipulation. Extensive experiments demonstrate our method's superiority over existing methods in the quality of GAN inversion and attribute manipulation.

The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo (MCMC) or Langevin Dynamics (LD) can suffer from slow mixing times there is a growing interest in using normalizing flows in order to learn the transformation of a simple prior distribution to the given target distribution. Here we propose a generalized and combined approach to sample target densities: Stochastic Normalizing Flows (SNF) -- an arbitrary sequence of deterministic invertible functions and stochastic sampling blocks. We show that stochasticity overcomes expressivity limitations of normalizing flows resulting from the invertibility constraint, whereas trainable transformations between sampling steps improve efficiency of pure MCMC/LD along the flow. By invoking ideas from non-equilibrium statistical mechanics we derive an efficient training procedure by which both the sampler's and the flow's parameters can be optimized end-to-end, and by which we can compute exact importance weights without having to marginalize out the randomness of the stochastic blocks. We illustrate the representational power, sampling efficiency and asymptotic correctness of SNFs on several benchmarks including applications to sampling molecular systems in equilibrium.

Transformers can learn to perform numerical computations from examples only. I study nine problems of linear algebra, from basic matrix operations to eigenvalue decomposition and inversion, and introduce and discuss four encoding schemes to represent real numbers. On all problems, transformers trained on sets of random matrices achieve high accuracies (over 90%). The models are robust to noise, and can generalize out of their training distribution. In particular, models trained to predict Laplace-distributed eigenvalues generalize to different classes of matrices: Wigner matrices or matrices with positive eigenvalues. The reverse is not true.

Embedding inversion, i.e., reconstructing text given its embedding and black-box access to the embedding encoder, is a fundamental problem in both NLP and security. From the NLP perspective, it helps determine how much semantic information about the input is retained in the embedding. From the security perspective, it measures how much information is leaked by vector databases and embedding-based retrieval systems. State-of-the-art methods for embedding inversion, such as vec2text, have high accuracy but require (a) training a separate model for each embedding, and (b) a large number of queries to the corresponding encoder. We design, implement, and evaluate ZSInvert, a zero-shot inversion method based on the recently proposed adversarial decoding technique. ZSInvert is fast, query-efficient, and can be used for any text embedding without training an embedding-specific inversion model. We measure the effectiveness of ZSInvert on several embeddings and demonstrate that it recovers key semantic information about the corresponding texts.

Denoising diffusion models, a class of generative models, have garnered immense interest lately in various deep-learning problems. A diffusion probabilistic model defines a forward diffusion stage where the input data is gradually perturbed over several steps by adding Gaussian noise and then learns to reverse the diffusion process to retrieve the desired noise-free data from noisy data samples. Diffusion models are widely appreciated for their strong mode coverage and quality of the generated samples despite their known computational burdens. Capitalizing on the advances in computer vision, the field of medical imaging has also observed a growing interest in diffusion models. To help the researcher navigate this profusion, this survey intends to provide a comprehensive overview of diffusion models in the discipline of medical image analysis. Specifically, we introduce the solid theoretical foundation and fundamental concepts behind diffusion models and the three generic diffusion modelling frameworks: diffusion probabilistic models, noise-conditioned score networks, and stochastic differential equations. Then, we provide a systematic taxonomy of diffusion models in the medical domain and propose a multi-perspective categorization based on their application, imaging modality, organ of interest, and algorithms. To this end, we cover extensive applications of diffusion models in the medical domain. Furthermore, we emphasize the practical use case of some selected approaches, and then we discuss the limitations of the diffusion models in the medical domain and propose several directions to fulfill the demands of this field. Finally, we gather the overviewed studies with their available open-source implementations at https://github.com/amirhossein-kz/Awesome-Diffusion-Models-in-Medical-Imaging.

Diffusion models are powerful generative models that simulate the reverse of diffusion processes using score functions to synthesize data from noise. The sampling process of diffusion models can be interpreted as solving the reverse stochastic differential equation (SDE) or the ordinary differential equation (ODE) of the diffusion process, which often requires up to thousands of discretization steps to generate a single image. This has sparked a great interest in developing efficient integration techniques for reverse-S/ODEs. Here, we propose an orthogonal approach to accelerating score-based sampling: Denoising MCMC (DMCMC). DMCMC first uses MCMC to produce samples in the product space of data and variance (or diffusion time). Then, a reverse-S/ODE integrator is used to denoise the MCMC samples. Since MCMC traverses close to the data manifold, the computation cost of producing a clean sample for DMCMC is much less than that of producing a clean sample from noise. To verify the proposed concept, we show that Denoising Langevin Gibbs (DLG), an instance of DMCMC, successfully accelerates all six reverse-S/ODE integrators considered in this work on the tasks of CIFAR10 and CelebA-HQ-256 image generation. Notably, combined with integrators of Karras et al. (2022) and pre-trained score models of Song et al. (2021b), DLG achieves SOTA results. In the limited number of score function evaluation (NFE) settings on CIFAR10, we have 3.86 FID with approx 10 NFE and 2.63 FID with approx 20 NFE. On CelebA-HQ-256, we have 6.99 FID with approx 160 NFE, which beats the current best record of Kim et al. (2022) among score-based models, 7.16 FID with 4000 NFE. Code: https://github.com/1202kbs/DMCMC

The equivalence of realizable and agnostic learnability is a fundamental phenomenon in learning theory. With variants ranging from classical settings like PAC learning and regression to recent trends such as adversarially robust learning, it's surprising that we still lack a unified theory; traditional proofs of the equivalence tend to be disparate, and rely on strong model-specific assumptions like uniform convergence and sample compression. In this work, we give the first model-independent framework explaining the equivalence of realizable and agnostic learnability: a three-line blackbox reduction that simplifies, unifies, and extends our understanding across a wide variety of settings. This includes models with no known characterization of learnability such as learning with arbitrary distributional assumptions and more general loss functions, as well as a host of other popular settings such as robust learning, partial learning, fair learning, and the statistical query model. More generally, we argue that the equivalence of realizable and agnostic learning is actually a special case of a broader phenomenon we call property generalization: any desirable property of a learning algorithm (e.g. noise tolerance, privacy, stability) that can be satisfied over finite hypothesis classes extends (possibly in some variation) to any learnable hypothesis class.

We introduce marginalization models (MaMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling with tractable likelihoods by explicitly modeling all induced marginal distributions. Marginalization models enable fast evaluation of arbitrary marginal probabilities with a single forward pass of the neural network, which overcomes a major limitation of methods with exact marginal inference, such as autoregressive models (ARMs). We propose scalable methods for learning the marginals, grounded in the concept of "marginalization self-consistency". Unlike previous methods, MaMs support scalable training of any-order generative models for high-dimensional problems under the setting of energy-based training, where the goal is to match the learned distribution to a given desired probability (specified by an unnormalized (log) probability function such as energy function or reward function). We demonstrate the effectiveness of the proposed model on a variety of discrete data distributions, including binary images, language, physical systems, and molecules, for maximum likelihood and energy-based training settings. MaMs achieve orders of magnitude speedup in evaluating the marginal probabilities on both settings. For energy-based training tasks, MaMs enable any-order generative modeling of high-dimensional problems beyond the capability of previous methods. Code is at https://github.com/PrincetonLIPS/MaM.

Idempotence is the stability of image codec to re-compression. At the first glance, it is unrelated to perceptual image compression. However, we find that theoretically: 1) Conditional generative model-based perceptual codec satisfies idempotence; 2) Unconditional generative model with idempotence constraint is equivalent to conditional generative codec. Based on this newfound equivalence, we propose a new paradigm of perceptual image codec by inverting unconditional generative model with idempotence constraints. Our codec is theoretically equivalent to conditional generative codec, and it does not require training new models. Instead, it only requires a pre-trained mean-square-error codec and unconditional generative model. Empirically, we show that our proposed approach outperforms state-of-the-art methods such as HiFiC and ILLM, in terms of Fr\'echet Inception Distance (FID). The source code is provided in https://github.com/tongdaxu/Idempotence-and-Perceptual-Image-Compression.

The number of publicly available models is rapidly increasing, yet most remain undocumented. Users looking for suitable models for their tasks must first determine what each model does. Training machine learning models to infer missing documentation directly from model weights is challenging, as these weights often contain significant variation unrelated to model functionality (denoted nuisance). Here, we identify a key property of real-world models: most public models belong to a small set of Model Trees, where all models within a tree are fine-tuned from a common ancestor (e.g., a foundation model). Importantly, we find that within each tree there is less nuisance variation between models. Concretely, while learning across Model Trees requires complex architectures, even a linear classifier trained on a single model layer often works within trees. While effective, these linear classifiers are computationally expensive, especially when dealing with larger models that have many parameters. To address this, we introduce Probing Experts (ProbeX), a theoretically motivated and lightweight method. Notably, ProbeX is the first probing method specifically designed to learn from the weights of a single hidden model layer. We demonstrate the effectiveness of ProbeX by predicting the categories in a model's training dataset based only on its weights. Excitingly, ProbeX can map the weights of Stable Diffusion into a weight-language embedding space, enabling model search via text, i.e., zero-shot model classification.

Implicit neural representations (INR) have gained significant popularity for signal and image representation for many end-tasks, such as superresolution, 3D modeling, and more. Most INR architectures rely on sinusoidal positional encoding, which accounts for high-frequency information in data. However, the finite encoding size restricts the model's representational power. Higher representational power is needed to go from representing a single given image to representing large and diverse datasets. Our approach addresses this gap by representing an image with a polynomial function and eliminates the need for positional encodings. Therefore, to achieve a progressively higher degree of polynomial representation, we use element-wise multiplications between features and affine-transformed coordinate locations after every ReLU layer. The proposed method is evaluated qualitatively and quantitatively on large datasets like ImageNet. The proposed Poly-INR model performs comparably to state-of-the-art generative models without any convolution, normalization, or self-attention layers, and with far fewer trainable parameters. With much fewer training parameters and higher representative power, our approach paves the way for broader adoption of INR models for generative modeling tasks in complex domains. The code is available at https://github.com/Rajhans0/Poly_INR

Diffusion models are a class of probabilistic generative models that have been widely used as a prior for image processing tasks like text conditional generation and inpainting. We demonstrate that these models can be adapted to make predictions and provide uncertainty quantification for chaotic dynamical systems. In these applications, diffusion models can implicitly represent knowledge about outliers and extreme events; however, querying that knowledge through conditional sampling or measuring probabilities is surprisingly difficult. Existing methods for conditional sampling at inference time seek mainly to enforce the constraints, which is insufficient to match the statistics of the distribution or compute the probability of the chosen events. To achieve these ends, optimally one would use the conditional score function, but its computation is typically intractable. In this work, we develop a probabilistic approximation scheme for the conditional score function which provably converges to the true distribution as the noise level decreases. With this scheme we are able to sample conditionally on nonlinear userdefined events at inference time, and matches data statistics even when sampling from the tails of the distribution.

This monograph presents the core principles that have guided the development of diffusion models, tracing their origins and showing how diverse formulations arise from shared mathematical ideas. Diffusion modeling starts by defining a forward process that gradually corrupts data into noise, linking the data distribution to a simple prior through a continuum of intermediate distributions. The goal is to learn a reverse process that transforms noise back into data while recovering the same intermediates. We describe three complementary views. The variational view, inspired by variational autoencoders, sees diffusion as learning to remove noise step by step. The score-based view, rooted in energy-based modeling, learns the gradient of the evolving data distribution, indicating how to nudge samples toward more likely regions. The flow-based view, related to normalizing flows, treats generation as following a smooth path that moves samples from noise to data under a learned velocity field. These perspectives share a common backbone: a time-dependent velocity field whose flow transports a simple prior to the data. Sampling then amounts to solving a differential equation that evolves noise into data along a continuous trajectory. On this foundation, the monograph discusses guidance for controllable generation, efficient numerical solvers, and diffusion-motivated flow-map models that learn direct mappings between arbitrary times. It provides a conceptual and mathematically grounded understanding of diffusion models for readers with basic deep-learning knowledge.