Daily Papers

The image-to-image translation abilities of generative learning models have recently made significant progress in the estimation of complex (steered) mappings between image distributions. While appearance based tasks like image in-painting or style transfer have been studied at length, we propose to investigate the potential of generative models in the context of physical simulations. Providing a dataset of 300k image-pairs and baseline evaluations for three different physical simulation tasks, we propose a benchmark to investigate the following research questions: i) are generative models able to learn complex physical relations from input-output image pairs? ii) what speedups can be achieved by replacing differential equation based simulations? While baseline evaluations of different current models show the potential for high speedups (ii), these results also show strong limitations toward the physical correctness (i). This underlines the need for new methods to enforce physical correctness. Data, baseline models and evaluation code http://www.physics-gen.org.

Spider webs are incredible biological structures, comprising thin but strong silk filament and arranged into complex hierarchical architectures with striking mechanical properties (e.g., lightweight but high strength, achieving diverse mechanical responses). While simple 2D orb webs can easily be mimicked, the modeling and synthesis of 3D-based web structures remain challenging, partly due to the rich set of design features. Here we provide a detailed analysis of the heterogenous graph structures of spider webs, and use deep learning as a way to model and then synthesize artificial, bio-inspired 3D web structures. The generative AI models are conditioned based on key geometric parameters (including average edge length, number of nodes, average node degree, and others). To identify graph construction principles, we use inductive representation sampling of large experimentally determined spider web graphs, to yield a dataset that is used to train three conditional generative models: 1) An analog diffusion model inspired by nonequilibrium thermodynamics, with sparse neighbor representation, 2) a discrete diffusion model with full neighbor representation, and 3) an autoregressive transformer architecture with full neighbor representation. All three models are scalable, produce complex, de novo bio-inspired spider web mimics, and successfully construct graphs that meet the design objectives. We further propose algorithm that assembles web samples produced by the generative models into larger-scale structures based on a series of geometric design targets, including helical and parametric shapes, mimicking, and extending natural design principles towards integration with diverging engineering objectives. Several webs are manufactured using 3D printing and tested to assess mechanical properties.

Explaining stock predictions is generally a difficult task for traditional non-generative deep learning models, where explanations are limited to visualizing the attention weights on important texts. Today, Large Language Models (LLMs) present a solution to this problem, given their known capabilities to generate human-readable explanations for their decision-making process. However, the task of stock prediction remains challenging for LLMs, as it requires the ability to weigh the varying impacts of chaotic social texts on stock prices. The problem gets progressively harder with the introduction of the explanation component, which requires LLMs to explain verbally why certain factors are more important than the others. On the other hand, to fine-tune LLMs for such a task, one would need expert-annotated samples of explanation for every stock movement in the training set, which is expensive and impractical to scale. To tackle these issues, we propose our Summarize-Explain-Predict (SEP) framework, which utilizes a self-reflective agent and Proximal Policy Optimization (PPO) to let a LLM teach itself how to generate explainable stock predictions in a fully autonomous manner. The reflective agent learns how to explain past stock movements through self-reasoning, while the PPO trainer trains the model to generate the most likely explanations from input texts. The training samples for the PPO trainer are also the responses generated during the reflective process, which eliminates the need for human annotators. Using our SEP framework, we fine-tune a LLM that can outperform both traditional deep-learning and LLM methods in prediction accuracy and Matthews correlation coefficient for the stock classification task. To justify the generalization capability of our framework, we further test it on the portfolio construction task, and demonstrate its effectiveness through various portfolio metrics.

Discovering novel drug candidate molecules is one of the most fundamental and critical steps in drug development. Generative deep learning models, which create synthetic data given a probability distribution, offer a high potential for designing de novo molecules. However, to be utilisable in real life drug development pipelines, these models should be able to design drug like and target centric molecules. In this study, we propose an end to end generative system, DrugGEN, for the de novo design of drug candidate molecules that interact with intended target proteins. The proposed method represents molecules as graphs and processes them via a generative adversarial network comprising graph transformer layers. The system is trained using a large dataset of drug like compounds and target specific bioactive molecules to design effective inhibitory molecules against the AKT1 protein, which is critically important in developing treatments for various types of cancer. We conducted molecular docking and dynamics to assess the target centric generation performance of the model, as well as attention score visualisation to examine model interpretability. In parallel, selected compounds were chemically synthesised and evaluated in the context of in vitro enzymatic assays, which identified two bioactive molecules that inhibited AKT1 at low micromolar concentrations. These results indicate that DrugGEN's de novo molecules have a high potential for interacting with the AKT1 protein at the level of its native ligands. Using the open access DrugGEN codebase, it is possible to easily train models for other druggable proteins, given a dataset of experimentally known bioactive molecules.

Generative machine learning models are increasingly being used to design novel proteins for therapeutic and biotechnological applications. However, the current methods mostly focus on the design of proteins with a fixed backbone structure, which leads to their limited ability to account for protein flexibility, one of the crucial properties for protein function. Learning to engineer protein flexibility is problematic because the available data are scarce, heterogeneous, and costly to obtain using computational as well as experimental methods. Our contributions to address this problem are three-fold. First, we comprehensively compare methods for quantifying protein flexibility and identify data relevant to learning. Second, we design and train flexibility predictors utilizing sequential or both sequential and structural information on the input. We overcome the data scarcity issue by leveraging a pre-trained protein language model. Third, we introduce a method for fine-tuning a protein inverse folding model to steer it toward desired flexibility in specified regions. We demonstrate that our method Flexpert-Design enables guidance of inverse folding models toward increased flexibility. This opens up new possibilities for protein flexibility engineering and the development of proteins with enhanced biological activities.

Liquid electrolytes are critical components of next-generation energy storage systems, enabling fast ion transport, minimizing interfacial resistance, and ensuring electrochemical stability for long-term battery performance. However, measuring electrolyte properties and designing formulations remain experimentally and computationally expensive. In this work, we present a unified framework for designing liquid electrolyte formulation, integrating a forward predictive model with an inverse generative approach. Leveraging both computational and experimental data collected from literature and extensive molecular simulations, we train a predictive model capable of accurately estimating electrolyte properties from ionic conductivity to solvation structure. Our physics-informed architecture preserves permutation invariance and incorporates empirical dependencies on temperature and salt concentration, making it broadly applicable to property prediction tasks across molecular mixtures. Furthermore, we introduce -- to the best of our knowledge -- the first generative machine learning framework for molecular mixture design, demonstrated on electrolyte systems. This framework supports multi-condition-constrained generation, addressing the inherently multi-objective nature of materials design. As a proof of concept, we experimentally identified three liquid electrolytes with both high ionic conductivity and anion-concentrated solvation structure. This unified framework advances data-driven electrolyte design and can be readily extended to other complex chemical systems beyond electrolytes.

Quantum computing has recently emerged as a transformative technology. Yet, its promised advantages rely on efficiently translating quantum operations into viable physical realizations. In this work, we use generative machine learning models, specifically denoising diffusion models (DMs), to facilitate this transformation. Leveraging text-conditioning, we steer the model to produce desired quantum operations within gate-based quantum circuits. Notably, DMs allow to sidestep during training the exponential overhead inherent in the classical simulation of quantum dynamics -- a consistent bottleneck in preceding ML techniques. We demonstrate the model's capabilities across two tasks: entanglement generation and unitary compilation. The model excels at generating new circuits and supports typical DM extensions such as masking and editing to, for instance, align the circuit generation to the constraints of the targeted quantum device. Given their flexibility and generalization abilities, we envision DMs as pivotal in quantum circuit synthesis, enhancing both practical applications but also insights into theoretical quantum computation.

Normalizing flows can transform a simple prior probability distribution into a more complex target distribution. Here, we evaluate the ability and efficiency of generative machine learning methods to sample the Boltzmann distribution of an atomistic model for glass-forming liquids. This is a notoriously difficult task, as it amounts to ergodically exploring the complex free energy landscape of a disordered and frustrated many-body system. We optimize a normalizing flow model to successfully transform high-temperature configurations of a dense liquid into low-temperature ones, near the glass transition. We perform a detailed comparative analysis with established enhanced sampling techniques developed in the physics literature to assess and rank the performance of normalizing flows against state-of-the-art algorithms. We demonstrate that machine learning methods are very promising, showing a large speedup over conventional molecular dynamics. Normalizing flows show performances comparable to parallel tempering and population annealing, while still falling far behind the swap Monte Carlo algorithm. Our study highlights the potential of generative machine learning models in scientific computing for complex systems, but also points to some of its current limitations and the need for further improvement.

Medical image data is less accessible than in other domains due to privacy and regulatory constraints. In addition, labeling requires costly, time-intensive manual image annotation by clinical experts. To overcome these challenges, synthetic medical data generation offers a promising solution. Generative AI (GenAI), employing generative deep learning models, has proven effective at producing realistic synthetic images. This study proposes a novel mask-guided GenAI approach using diffusion models to generate synthetic fetal head ultrasound images paired with segmentation masks. These synthetic pairs augment real datasets for supervised fine-tuning of the Segment Anything Model (SAM). Our results show that the synthetic data captures real image features effectively, and this approach reaches state-of-the-art fetal head segmentation, especially when trained with a limited number of real image-mask pairs. In particular, the segmentation reaches Dice Scores of 94.66\% and 94.38\% using a handful of ultrasound images from the Spanish and African cohorts, respectively. Our code, models, and data are available on GitHub.

Real-world databases are predominantly relational, comprising multiple interlinked tables that contain complex structural and statistical dependencies. Learning generative models on relational data has shown great promise in generating synthetic data and imputing missing values. However, existing methods often struggle to capture this complexity, typically reducing relational data to conditionally generated flat tables and imposing limiting structural assumptions. To address these limitations, we introduce RelDiff, a novel diffusion generative model that synthesizes complete relational databases by explicitly modeling their foreign key graph structure. RelDiff combines a joint graph-conditioned diffusion process across all tables for attribute synthesis, and a 2K+SBM graph generator based on the Stochastic Block Model for structure generation. The decomposition of graph structure and relational attributes ensures both high fidelity and referential integrity, both of which are crucial aspects of synthetic relational database generation. Experiments on 11 benchmark datasets demonstrate that RelDiff consistently outperforms prior methods in producing realistic and coherent synthetic relational databases. Code is available at https://github.com/ValterH/RelDiff.

Recent advances in deep generative models have lead to remarkable progress in synthesizing high quality images. Following their successful application in image processing and representation learning, an important next step is to consider videos. Learning generative models of video is a much harder task, requiring a model to capture the temporal dynamics of a scene, in addition to the visual presentation of objects. While recent attempts at formulating generative models of video have had some success, current progress is hampered by (1) the lack of qualitative metrics that consider visual quality, temporal coherence, and diversity of samples, and (2) the wide gap between purely synthetic video data sets and challenging real-world data sets in terms of complexity. To this extent we propose Fr\'{e}chet Video Distance (FVD), a new metric for generative models of video, and StarCraft 2 Videos (SCV), a benchmark of game play from custom starcraft 2 scenarios that challenge the current capabilities of generative models of video. We contribute a large-scale human study, which confirms that FVD correlates well with qualitative human judgment of generated videos, and provide initial benchmark results on SCV.

Physics-based numerical models have been the bedrock of atmospheric sciences for decades, offering robust solutions but often at the cost of significant computational resources. Deep learning (DL) models have emerged as powerful tools in meteorology, capable of analyzing complex weather and climate data by learning intricate dependencies and providing rapid predictions once trained. While these models demonstrate promising performance in weather prediction, often surpassing traditional physics-based methods, they still face critical challenges. This paper presents a comprehensive survey of recent deep learning and foundation models for weather prediction. We propose a taxonomy to classify existing models based on their training paradigms: deterministic predictive learning, probabilistic generative learning, and pre-training and fine-tuning. For each paradigm, we delve into the underlying model architectures, address major challenges, offer key insights, and propose targeted directions for future research. Furthermore, we explore real-world applications of these methods and provide a curated summary of open-source code repositories and widely used datasets, aiming to bridge research advancements with practical implementations while fostering open and trustworthy scientific practices in adopting cutting-edge artificial intelligence for weather prediction. The related sources are available at https://github.com/JimengShi/ DL-Foundation-Models-Weather.

While progress in 2D generative models of human appearance has been rapid, many applications require 3D avatars that can be animated and rendered. Unfortunately, most existing methods for learning generative models of 3D humans with diverse shape and appearance require 3D training data, which is limited and expensive to acquire. The key to progress is hence to learn generative models of 3D avatars from abundant unstructured 2D image collections. However, learning realistic and complete 3D appearance and geometry in this under-constrained setting remains challenging, especially in the presence of loose clothing such as dresses. In this paper, we propose a new adversarial generative model of realistic 3D people from 2D images. Our method captures shape and deformation of the body and loose clothing by adopting a holistic 3D generator and integrating an efficient and flexible articulation module. To improve realism, we train our model using multiple discriminators while also integrating geometric cues in the form of predicted 2D normal maps. We experimentally find that our method outperforms previous 3D- and articulation-aware methods in terms of geometry and appearance. We validate the effectiveness of our model and the importance of each component via systematic ablation studies.

In machine learning, generative modeling aims to learn to generate new data statistically similar to the training data distribution. In this paper, we survey learning generative models under limited data, few shots and zero shot, referred to as Generative Modeling under Data Constraint (GM-DC). This is an important topic when data acquisition is challenging, e.g. healthcare applications. We discuss background, challenges, and propose two taxonomies: one on GM-DC tasks and another on GM-DC approaches. Importantly, we study interactions between different GM-DC tasks and approaches. Furthermore, we highlight research gaps, research trends, and potential avenues for future exploration. Project website: https://gmdc-survey.github.io.

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

Automating the detection of anomalous events within long video sequences is challenging due to the ambiguity of how such events are defined. We approach the problem by learning generative models that can identify anomalies in videos using limited supervision. We propose end-to-end trainable composite Convolutional Long Short-Term Memory (Conv-LSTM) networks that are able to predict the evolution of a video sequence from a small number of input frames. Regularity scores are derived from the reconstruction errors of a set of predictions with abnormal video sequences yielding lower regularity scores as they diverge further from the actual sequence over time. The models utilize a composite structure and examine the effects of conditioning in learning more meaningful representations. The best model is chosen based on the reconstruction and prediction accuracy. The Conv-LSTM models are evaluated both qualitatively and quantitatively, demonstrating competitive results on anomaly detection datasets. Conv-LSTM units are shown to be an effective tool for modeling and predicting video sequences.

A fundamental dilemma in generative modeling persists: iterative diffusion models achieve outstanding fidelity, but at a significant computational cost, while efficient few-step alternatives are constrained by a hard quality ceiling. This conflict between generation steps and output quality arises from restrictive training objectives that focus exclusively on either infinitesimal dynamics (PF-ODEs) or direct endpoint prediction. We address this challenge by introducing an exact, continuous-time dynamics equation that analytically defines state transitions across any finite time interval. This leads to a novel generative paradigm, Transition Models (TiM), which adapt to arbitrary-step transitions, seamlessly traversing the generative trajectory from single leaps to fine-grained refinement with more steps. Despite having only 865M parameters, TiM achieves state-of-the-art performance, surpassing leading models such as SD3.5 (8B parameters) and FLUX.1 (12B parameters) across all evaluated step counts. Importantly, unlike previous few-step generators, TiM demonstrates monotonic quality improvement as the sampling budget increases. Additionally, when employing our native-resolution strategy, TiM delivers exceptional fidelity at resolutions up to 4096x4096.

Unlike cloud-based deep learning models that are often large and uniform, edge-deployed models usually demand customization for domain-specific tasks and resource-limited environments. Such customization processes can be costly and time-consuming due to the diversity of edge scenarios and the training load for each scenario. Although various approaches have been proposed for rapid resource-oriented customization and task-oriented customization respectively, achieving both of them at the same time is challenging. Drawing inspiration from the generative AI and the modular composability of neural networks, we introduce NN-Factory, an one-for-all framework to generate customized lightweight models for diverse edge scenarios. The key idea is to use a generative model to directly produce the customized models, instead of training them. The main components of NN-Factory include a modular supernet with pretrained modules that can be conditionally activated to accomplish different tasks and a generative module assembler that manipulate the modules according to task and sparsity requirements. Given an edge scenario, NN-Factory can efficiently customize a compact model specialized in the edge task while satisfying the edge resource constraints by searching for the optimal strategy to assemble the modules. Based on experiments on image classification and object detection tasks with different edge devices, NN-Factory is able to generate high-quality task- and resource-specific models within few seconds, faster than conventional model customization approaches by orders of magnitude.

About 90% of the computing resources available to the LHCb experiment has been spent to produce simulated data samples for Run 2 of the Large Hadron Collider at CERN. The upgraded LHCb detector will be able to collect larger data samples, requiring many more simulated events to analyze the data to be collected in Run 3. Simulation is a key necessity of analysis to interpret signal, reject background and measure efficiencies. The needed simulation will far exceed the pledged resources, requiring an evolution in technologies and techniques to produce these simulated data samples. In this contribution, we discuss Lamarr, a Gaudi-based framework to speed-up the simulation production parameterizing both the detector response and the reconstruction algorithms of the LHCb experiment. Deep Generative Models powered by several algorithms and strategies are employed to effectively parameterize the high-level response of the single components of the LHCb detector, encoding within neural networks the experimental errors and uncertainties introduced in the detection and reconstruction phases. Where possible, models are trained directly on real data, statistically subtracting any background components by applying appropriate reweighing procedures. Embedding Lamarr in the general LHCb Gauss Simulation framework allows to combine its execution with any of the available generators in a seamless way. The resulting software package enables a simulation process independent of the detailed simulation used to date.

Learning on tabular data underpins numerous real-world applications. Despite considerable efforts in developing effective learning models for tabular data, current transferable tabular models remain in their infancy, limited by either the lack of support for direct instruction following in new tasks or the neglect of acquiring foundational knowledge and capabilities from diverse tabular datasets. In this paper, we propose Tabular Foundation Models (TabFMs) to overcome these limitations. TabFMs harness the potential of generative tabular learning, employing a pre-trained large language model (LLM) as the base model and fine-tuning it using purpose-designed objectives on an extensive range of tabular datasets. This approach endows TabFMs with a profound understanding and universal capabilities essential for learning on tabular data. Our evaluations underscore TabFM's effectiveness: not only does it significantly excel in instruction-following tasks like zero-shot and in-context inference, but it also showcases performance that approaches, and in instances, even transcends, the renowned yet mysterious closed-source LLMs like GPT-4. Furthermore, when fine-tuning with scarce data, our model achieves remarkable efficiency and maintains competitive performance with abundant training data. Finally, while our results are promising, we also delve into TabFM's limitations and potential opportunities, aiming to stimulate and expedite future research on developing more potent TabFMs.

A wide variety of deep generative models has been developed in the past decade. Yet, these models often struggle with simultaneously addressing three key requirements including: high sample quality, mode coverage, and fast sampling. We call the challenge imposed by these requirements the generative learning trilemma, as the existing models often trade some of them for others. Particularly, denoising diffusion models have shown impressive sample quality and diversity, but their expensive sampling does not yet allow them to be applied in many real-world applications. In this paper, we argue that slow sampling in these models is fundamentally attributed to the Gaussian assumption in the denoising step which is justified only for small step sizes. To enable denoising with large steps, and hence, to reduce the total number of denoising steps, we propose to model the denoising distribution using a complex multimodal distribution. We introduce denoising diffusion generative adversarial networks (denoising diffusion GANs) that model each denoising step using a multimodal conditional GAN. Through extensive evaluations, we show that denoising diffusion GANs obtain sample quality and diversity competitive with original diffusion models while being 2000times faster on the CIFAR-10 dataset. Compared to traditional GANs, our model exhibits better mode coverage and sample diversity. To the best of our knowledge, denoising diffusion GAN is the first model that reduces sampling cost in diffusion models to an extent that allows them to be applied to real-world applications inexpensively. Project page and code can be found at https://nvlabs.github.io/denoising-diffusion-gan

Data augmentation techniques are widely used for enhancing the performance of machine learning models by tackling class imbalance issues and data sparsity. State-of-the-art generative language models have been shown to provide significant gains across different NLP tasks. However, their applicability to data augmentation for text classification tasks in few-shot settings have not been fully explored, especially for specialised domains. In this paper, we leverage GPT-2 (Radford A et al, 2019) for generating artificial training instances in order to improve classification performance. Our aim is to analyse the impact the selection process of seed training examples have over the quality of GPT-generated samples and consequently the classifier performance. We perform experiments with several seed selection strategies that, among others, exploit class hierarchical structures and domain expert selection. Our results show that fine-tuning GPT-2 in a handful of label instances leads to consistent classification improvements and outperform competitive baselines. Finally, we show that guiding this process through domain expert selection can lead to further improvements, which opens up interesting research avenues for combining generative models and active learning.

Recent success in deep learning has generated immense interest among practitioners and students, inspiring many to learn about this new technology. While visual and interactive approaches have been successfully developed to help people more easily learn deep learning, most existing tools focus on simpler models. In this work, we present GAN Lab, the first interactive visualization tool designed for non-experts to learn and experiment with Generative Adversarial Networks (GANs), a popular class of complex deep learning models. With GAN Lab, users can interactively train generative models and visualize the dynamic training process's intermediate results. GAN Lab tightly integrates an model overview graph that summarizes GAN's structure, and a layered distributions view that helps users interpret the interplay between submodels. GAN Lab introduces new interactive experimentation features for learning complex deep learning models, such as step-by-step training at multiple levels of abstraction for understanding intricate training dynamics. Implemented using TensorFlow.js, GAN Lab is accessible to anyone via modern web browsers, without the need for installation or specialized hardware, overcoming a major practical challenge in deploying interactive tools for deep learning.

We show that introducing a weighting factor to reduce the influence of identity shortcuts in residual networks significantly enhances semantic feature learning in generative representation learning frameworks, such as masked autoencoders (MAEs) and diffusion models. Our modification notably improves feature quality, raising ImageNet-1K K-Nearest Neighbor accuracy from 27.4% to 63.9% and linear probing accuracy from 67.8% to 72.7% for MAEs with a ViT-B/16 backbone, while also enhancing generation quality in diffusion models. This significant gap suggests that, while residual connection structure serves an essential role in facilitating gradient propagation, it may have a harmful side effect of reducing capacity for abstract learning by virtue of injecting an echo of shallower representations into deeper layers. We ameliorate this downside via a fixed formula for monotonically decreasing the contribution of identity connections as layer depth increases. Our design promotes the gradual development of feature abstractions, without impacting network trainability. Analyzing the representations learned by our modified residual networks, we find correlation between low effective feature rank and downstream task performance.

Availability of large and diverse medical datasets is often challenged by privacy and data sharing restrictions. For successful application of machine learning techniques for disease diagnosis, prognosis, and precision medicine, large amounts of data are necessary for model building and optimization. To help overcome such limitations in the context of brain MRI, we present NeuroSynth: a collection of generative models of normative regional volumetric features derived from structural brain imaging. NeuroSynth models are trained on real brain imaging regional volumetric measures from the iSTAGING consortium, which encompasses over 40,000 MRI scans across 13 studies, incorporating covariates such as age, sex, and race. Leveraging NeuroSynth, we produce and offer 18,000 synthetic samples spanning the adult lifespan (ages 22-90 years), alongside the model's capability to generate unlimited data. Experimental results indicate that samples generated from NeuroSynth agree with the distributions obtained from real data. Most importantly, the generated normative data significantly enhance the accuracy of downstream machine learning models on tasks such as disease classification. Data and models are available at: https://huggingface.co/spaces/rongguangw/neuro-synth.

Advancements in language foundation models have primarily fueled the recent surge in artificial intelligence. In contrast, generative learning of non-textual modalities, especially videos, significantly trails behind language modeling. This thesis chronicles our endeavor to build multi-task models for generating videos and other modalities under diverse conditions, as well as for understanding and compression applications. Given the high dimensionality of visual data, we pursue concise and accurate latent representations. Our video-native spatial-temporal tokenizers preserve high fidelity. We unveil a novel approach to mapping bidirectionally between visual observation and interpretable lexical terms. Furthermore, our scalable visual token representation proves beneficial across generation, compression, and understanding tasks. This achievement marks the first instances of language models surpassing diffusion models in visual synthesis and a video tokenizer outperforming industry-standard codecs. Within these multi-modal latent spaces, we study the design of multi-task generative models. Our masked multi-task transformer excels at the quality, efficiency, and flexibility of video generation. We enable a frozen language model, trained solely on text, to generate visual content. Finally, we build a scalable generative multi-modal transformer trained from scratch, enabling the generation of videos containing high-fidelity motion with the corresponding audio given diverse conditions. Throughout the course, we have shown the effectiveness of integrating multiple tasks, crafting high-fidelity latent representation, and generating multiple modalities. This work suggests intriguing potential for future exploration in generating non-textual data and enabling real-time, interactive experiences across various media forms.

Although text-to-image (T2I) models have recently thrived as visual generative priors, their reliance on high-quality text-image pairs makes scaling up expensive. We argue that grasping the cross-modality alignment is not a necessity for a sound visual generative prior, whose focus should be on texture modeling. Such a philosophy inspires us to study image-to-image (I2I) generation, where models can learn from in-the-wild images in a self-supervised manner. We first develop a pure vision-based training framework, Lumos, and confirm the feasibility and the scalability of learning I2I models. We then find that, as an upstream task of T2I, our I2I model serves as a more foundational visual prior and achieves on-par or better performance than existing T2I models using only 1/10 text-image pairs for fine-tuning. We further demonstrate the superiority of I2I priors over T2I priors on some text-irrelevant visual generative tasks, like image-to-3D and image-to-video.

Data poisoning attacks manipulate training data to introduce unexpected behaviors into machine learning models at training time. For text-to-image generative models with massive training datasets, current understanding of poisoning attacks suggests that a successful attack would require injecting millions of poison samples into their training pipeline. In this paper, we show that poisoning attacks can be successful on generative models. We observe that training data per concept can be quite limited in these models, making them vulnerable to prompt-specific poisoning attacks, which target a model's ability to respond to individual prompts. We introduce Nightshade, an optimized prompt-specific poisoning attack where poison samples look visually identical to benign images with matching text prompts. Nightshade poison samples are also optimized for potency and can corrupt an Stable Diffusion SDXL prompt in <100 poison samples. Nightshade poison effects "bleed through" to related concepts, and multiple attacks can composed together in a single prompt. Surprisingly, we show that a moderate number of Nightshade attacks can destabilize general features in a text-to-image generative model, effectively disabling its ability to generate meaningful images. Finally, we propose the use of Nightshade and similar tools as a last defense for content creators against web scrapers that ignore opt-out/do-not-crawl directives, and discuss possible implications for model trainers and content creators.

Storm-scale convection-allowing models (CAMs) are an important tool for predicting the evolution of thunderstorms and mesoscale convective systems that result in damaging extreme weather. By explicitly resolving convective dynamics within the atmosphere they afford meteorologists the nuance needed to provide outlook on hazard. Deep learning models have thus far not proven skilful at km-scale atmospheric simulation, despite being competitive at coarser resolution with state-of-the-art global, medium-range weather forecasting. We present a generative diffusion model called StormCast, which emulates the high-resolution rapid refresh (HRRR) model-NOAA's state-of-the-art 3km operational CAM. StormCast autoregressively predicts 99 state variables at km scale using a 1-hour time step, with dense vertical resolution in the atmospheric boundary layer, conditioned on 26 synoptic variables. We present evidence of successfully learnt km-scale dynamics including competitive 1-6 hour forecast skill for composite radar reflectivity alongside physically realistic convective cluster evolution, moist updrafts, and cold pool morphology. StormCast predictions maintain realistic power spectra for multiple predicted variables across multi-hour forecasts. Together, these results establish the potential for autoregressive ML to emulate CAMs -- opening up new km-scale frontiers for regional ML weather prediction and future climate hazard dynamical downscaling.

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.

Developing robust deep learning models for fetal ultrasound image analysis requires comprehensive, high-quality datasets to effectively learn informative data representations within the domain. However, the scarcity of labelled ultrasound images poses substantial challenges, especially in low-resource settings. To tackle this challenge, we leverage synthetic data to enhance the generalizability of deep learning models. This study proposes a diffusion-based method, Fetal Ultrasound LoRA (FU-LoRA), which involves fine-tuning latent diffusion models using the LoRA technique to generate synthetic fetal ultrasound images. These synthetic images are integrated into a hybrid dataset that combines real-world and synthetic images to improve the performance of zero-shot classifiers in low-resource settings. Our experimental results on fetal ultrasound images from African cohorts demonstrate that FU-LoRA outperforms the baseline method by a 13.73% increase in zero-shot classification accuracy. Furthermore, FU-LoRA achieves the highest accuracy of 82.40%, the highest F-score of 86.54%, and the highest AUC of 89.78%. It demonstrates that the FU-LoRA method is effective in the zero-shot classification of fetal ultrasound images in low-resource settings. Our code and data are publicly accessible on https://github.com/13204942/FU-LoRA.

We report a series of deep learning models to solve complex forward and inverse design problems in molecular modeling and design. Using both diffusion models inspired by nonequilibrium thermodynamics and attention-based transformer architectures, we demonstrate a flexible framework to capture complex chemical structures. First trained on the QM9 dataset and a series of quantum mechanical properties (e.g. homo, lumo, free energy, heat capacity, etc.), we then generalize the model to study and design key properties of deep eutectic solvents. In addition to separate forward and inverse models, we also report an integrated fully prompt-based multi-task generative pretrained transformer model that solves multiple forward, inverse design, and prediction tasks, flexibly and within one model. We show that the multi-task generative model has the overall best performance and allows for flexible integration of multiple objectives, within one model, and for distinct chemistries, suggesting that synergies emerge during training of this large language model. Trained jointly in tasks related to the QM9 dataset and deep eutectic solvents (DESs), the model can predict various quantum mechanical properties and critical properties to achieve deep eutectic solvent behavior. Several novel combinations of DESs are proposed based on this framework.

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

Diffusion models (DMs) have revolutionized generative learning. They utilize a diffusion process to encode data into a simple Gaussian distribution. However, encoding a complex, potentially multimodal data distribution into a single continuous Gaussian distribution arguably represents an unnecessarily challenging learning problem. We propose Discrete-Continuous Latent Variable Diffusion Models (DisCo-Diff) to simplify this task by introducing complementary discrete latent variables. We augment DMs with learnable discrete latents, inferred with an encoder, and train DM and encoder end-to-end. DisCo-Diff does not rely on pre-trained networks, making the framework universally applicable. The discrete latents significantly simplify learning the DM's complex noise-to-data mapping by reducing the curvature of the DM's generative ODE. An additional autoregressive transformer models the distribution of the discrete latents, a simple step because DisCo-Diff requires only few discrete variables with small codebooks. We validate DisCo-Diff on toy data, several image synthesis tasks as well as molecular docking, and find that introducing discrete latents consistently improves model performance. For example, DisCo-Diff achieves state-of-the-art FID scores on class-conditioned ImageNet-64/128 datasets with ODE sampler.

While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which uses a single pre-training stage to address both families of tasks simultaneously. We identify diffusion models as a prime candidate. Diffusion models have risen to prominence as a state-of-the-art method for image generation, denoising, inpainting, super-resolution, manipulation, etc. Such models involve training a U-Net to iteratively predict and remove noise, and the resulting model can synthesize high fidelity, diverse, novel images. The U-Net architecture, as a convolution-based architecture, generates a diverse set of feature representations in the form of intermediate feature maps. We present our findings that these embeddings are useful beyond the noise prediction task, as they contain discriminative information and can also be leveraged for classification. We explore optimal methods for extracting and using these embeddings for classification tasks, demonstrating promising results on the ImageNet classification task. We find that with careful feature selection and pooling, diffusion models outperform comparable generative-discriminative methods such as BigBiGAN for classification tasks. We investigate diffusion models in the transfer learning regime, examining their performance on several fine-grained visual classification datasets. We compare these embeddings to those generated by competing architectures and pre-trainings for classification tasks.

Machine Learning, particularly Generative Adversarial Networks (GANs), has revolutionised Super Resolution (SR). However, generated images often lack physical meaningfulness, which is essential for scientific applications. Our approach, PC-SRGAN, enhances image resolution while ensuring physical consistency for interpretable simulations. PC-SRGAN significantly improves both the Peak Signal-to-Noise Ratio and the Structural Similarity Index Measure compared to conventional methods, even with limited training data (e.g., only 13% of training data required for SRGAN). Beyond SR, PC-SRGAN augments physically meaningful machine learning, incorporating numerically justified time integrators and advanced quality metrics. These advancements promise reliable and causal machine-learning models in scientific domains. A significant advantage of PC-SRGAN over conventional SR techniques is its physical consistency, which makes it a viable surrogate model for time-dependent problems. PC-SRGAN advances scientific machine learning, offering improved accuracy and efficiency for image processing, enhanced process understanding, and broader applications to scientific research. We publicly release the complete source code at https://github.com/hasan-rakibul/PC-SRGAN.

While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which addresses both families of tasks simultaneously. We identify diffusion models, a state-of-the-art method for generative tasks, as a prime candidate. Such models involve training a U-Net to iteratively predict and remove noise, and the resulting model can synthesize high-fidelity, diverse, novel images. We find that the intermediate feature maps of the U-Net are diverse, discriminative feature representations. We propose a novel attention mechanism for pooling feature maps and further leverage this mechanism as DifFormer, a transformer feature fusion of features from different diffusion U-Net blocks and noise steps. We also develop DifFeed, a novel feedback mechanism tailored to diffusion. We find that diffusion models are better than GANs, and, with our fusion and feedback mechanisms, can compete with state-of-the-art unsupervised image representation learning methods for discriminative tasks - image classification with full and semi-supervision, transfer for fine-grained classification, object detection and segmentation, and semantic segmentation. Our project website (https://mgwillia.github.io/diffssl/) and code (https://github.com/soumik-kanad/diffssl) are available publicly.

In molecular research, simulation \& design of molecules are key areas with significant implications for drug development, material science, and other fields. Current classical computational power falls inadequate to simulate any more than small molecules, let alone protein chains on hundreds of peptide. Therefore these experiment are done physically in wet-lab, but it takes a lot of time \& not possible to examine every molecule due to the size of the search area, tens of billions of dollars are spent every year in these research experiments. Molecule simulation \& design has lately advanced significantly by machine learning models, A fresh perspective on the issue of chemical synthesis is provided by deep generative models for graph-structured data. By optimising differentiable models that produce molecular graphs directly, it is feasible to avoid costly search techniques in the discrete and huge space of chemical structures. But these models also suffer from computational limitations when dimensions become huge and consume huge amount of resources. Quantum Generative machine learning in recent years have shown some empirical results promising significant advantages over classical counterparts.

The cost of vision-and-language pre-training has become increasingly prohibitive due to end-to-end training of large-scale models. This paper proposes BLIP-2, a generic and efficient pre-training strategy that bootstraps vision-language pre-training from off-the-shelf frozen pre-trained image encoders and frozen large language models. BLIP-2 bridges the modality gap with a lightweight Querying Transformer, which is pre-trained in two stages. The first stage bootstraps vision-language representation learning from a frozen image encoder. The second stage bootstraps vision-to-language generative learning from a frozen language model. BLIP-2 achieves state-of-the-art performance on various vision-language tasks, despite having significantly fewer trainable parameters than existing methods. For example, our model outperforms Flamingo80B by 8.7% on zero-shot VQAv2 with 54x fewer trainable parameters. We also demonstrate the model's emerging capabilities of zero-shot image-to-text generation that can follow natural language instructions.

As synthetic data becomes higher quality and proliferates on the internet, machine learning models are increasingly trained on a mix of human- and machine-generated data. Despite the successful stories of using synthetic data for representation learning, using synthetic data for generative model training creates "self-consuming loops" which may lead to training instability or even collapse, unless certain conditions are met. Our paper aims to stabilize self-consuming generative model training. Our theoretical results demonstrate that by introducing an idealized correction function, which maps a data point to be more likely under the true data distribution, self-consuming loops can be made exponentially more stable. We then propose self-correction functions, which rely on expert knowledge (e.g. the laws of physics programmed in a simulator), and aim to approximate the idealized corrector automatically and at scale. We empirically validate the effectiveness of self-correcting self-consuming loops on the challenging human motion synthesis task, and observe that it successfully avoids model collapse, even when the ratio of synthetic data to real data is as high as 100%.

This review paper is intended for the 2nd edition of the Handbook of Markov chain Monte Carlo. We provide an introduction to approximate inference techniques as Bayesian computation methods applied to deep learning models. We organize the chapter by presenting popular computational methods for Bayesian neural networks and deep generative models, explaining their unique challenges in posterior inference as well as the solutions.

This paper presents an innovative approach to enhancing few-shot learning by integrating data augmentation with model fine-tuning in a framework designed to tackle the challenges posed by small-sample data. Recognizing the critical limitations of traditional machine learning models that require large datasets-especially in fields such as drug discovery, target recognition, and malicious traffic detection-this study proposes a novel strategy that leverages Generative Adversarial Networks (GANs) and advanced optimization techniques to improve model performance with limited data. Specifically, the paper addresses the noise and bias issues introduced by data augmentation methods, contrasting them with model-based approaches, such as fine-tuning and metric learning, which rely heavily on related datasets. By combining Markov Chain Monte Carlo (MCMC) sampling and discriminative model ensemble strategies within a GAN framework, the proposed model adjusts generative and discriminative distributions to simulate a broader range of relevant data. Furthermore, it employs MHLoss and a reparameterized GAN ensemble to enhance stability and accelerate convergence, ultimately leading to improved classification performance on small-sample images and structured datasets. Results confirm that the MhERGAN algorithm developed in this research is highly effective for few-shot learning, offering a practical solution that bridges data scarcity with high-performing model adaptability and generalization.

Interpretability in machine learning (ML) is crucial for high stakes decisions and troubleshooting. In this work, we provide fundamental principles for interpretable ML, and dispel common misunderstandings that dilute the importance of this crucial topic. We also identify 10 technical challenge areas in interpretable machine learning and provide history and background on each problem. Some of these problems are classically important, and some are recent problems that have arisen in the last few years. These problems are: (1) Optimizing sparse logical models such as decision trees; (2) Optimization of scoring systems; (3) Placing constraints into generalized additive models to encourage sparsity and better interpretability; (4) Modern case-based reasoning, including neural networks and matching for causal inference; (5) Complete supervised disentanglement of neural networks; (6) Complete or even partial unsupervised disentanglement of neural networks; (7) Dimensionality reduction for data visualization; (8) Machine learning models that can incorporate physics and other generative or causal constraints; (9) Characterization of the "Rashomon set" of good models; and (10) Interpretable reinforcement learning. This survey is suitable as a starting point for statisticians and computer scientists interested in working in interpretable machine learning.

Acquiring and annotating sufficient labeled data is crucial in developing accurate and robust learning-based models, but obtaining such data can be challenging in many medical image segmentation tasks. One promising solution is to synthesize realistic data with ground-truth mask annotations. However, no prior studies have explored generating complete 3D volumetric images with masks. In this paper, we present MedGen3D, a deep generative framework that can generate paired 3D medical images and masks. First, we represent the 3D medical data as 2D sequences and propose the Multi-Condition Diffusion Probabilistic Model (MC-DPM) to generate multi-label mask sequences adhering to anatomical geometry. Then, we use an image sequence generator and semantic diffusion refiner conditioned on the generated mask sequences to produce realistic 3D medical images that align with the generated masks. Our proposed framework guarantees accurate alignment between synthetic images and segmentation maps. Experiments on 3D thoracic CT and brain MRI datasets show that our synthetic data is both diverse and faithful to the original data, and demonstrate the benefits for downstream segmentation tasks. We anticipate that MedGen3D's ability to synthesize paired 3D medical images and masks will prove valuable in training deep learning models for medical imaging tasks.

In recent years, foundation models (FMs) such as large language models (LLMs) and latent diffusion models (LDMs) have profoundly impacted diverse sectors, including music. This comprehensive review examines state-of-the-art (SOTA) pre-trained models and foundation models in music, spanning from representation learning, generative learning and multimodal learning. We first contextualise the significance of music in various industries and trace the evolution of AI in music. By delineating the modalities targeted by foundation models, we discover many of the music representations are underexplored in FM development. Then, emphasis is placed on the lack of versatility of previous methods on diverse music applications, along with the potential of FMs in music understanding, generation and medical application. By comprehensively exploring the details of the model pre-training paradigm, architectural choices, tokenisation, finetuning methodologies and controllability, we emphasise the important topics that should have been well explored, like instruction tuning and in-context learning, scaling law and emergent ability, as well as long-sequence modelling etc. A dedicated section presents insights into music agents, accompanied by a thorough analysis of datasets and evaluations essential for pre-training and downstream tasks. Finally, by underscoring the vital importance of ethical considerations, we advocate that following research on FM for music should focus more on such issues as interpretability, transparency, human responsibility, and copyright issues. The paper offers insights into future challenges and trends on FMs for music, aiming to shape the trajectory of human-AI collaboration in the music realm.

The performance of embodied agents has been shown to improve by increasing model parameters, dataset size, and compute. This has been demonstrated in domains from robotics to video games, when generative learning objectives on offline datasets (pre-training) are used to model an agent's behavior (imitation learning) or their environment (world modeling). This paper characterizes the role of scale in these tasks more precisely. Going beyond the simple intuition that `bigger is better', we show that the same types of power laws found in language modeling (e.g. between loss and optimal model size), also arise in world modeling and imitation learning. However, the coefficients of these laws are heavily influenced by the tokenizer, task \& architecture -- this has important implications on the optimal sizing of models and data.

Exact unlearning was first introduced as a privacy mechanism that allowed a user to retract their data from machine learning models on request. Shortly after, inexact schemes were proposed to mitigate the impractical costs associated with exact unlearning. More recently unlearning is often discussed as an approach for removal of impermissible knowledge i.e. knowledge that the model should not possess such as unlicensed copyrighted, inaccurate, or malicious information. The promise is that if the model does not have a certain malicious capability, then it cannot be used for the associated malicious purpose. In this paper we revisit the paradigm in which unlearning is used for in Large Language Models (LLMs) and highlight an underlying inconsistency arising from in-context learning. Unlearning can be an effective control mechanism for the training phase, yet it does not prevent the model from performing an impermissible act during inference. We introduce a concept of ununlearning, where unlearned knowledge gets reintroduced in-context, effectively rendering the model capable of behaving as if it knows the forgotten knowledge. As a result, we argue that content filtering for impermissible knowledge will be required and even exact unlearning schemes are not enough for effective content regulation. We discuss feasibility of ununlearning for modern LLMs and examine broader implications.

Accurately classifying chemical structures is essential for cheminformatics and bioinformatics, including tasks such as identifying bioactive compounds of interest, screening molecules for toxicity to humans, finding non-organic compounds with desirable material properties, or organizing large chemical libraries for drug discovery or environmental monitoring. However, manual classification is labor-intensive and difficult to scale to large chemical databases. Existing automated approaches either rely on manually constructed classification rules, or the use of deep learning methods that lack explainability. This work presents an approach that uses generative artificial intelligence to automatically write chemical classifier programs for classes in the Chemical Entities of Biological Interest (ChEBI) database. These programs can be used for efficient deterministic run-time classification of SMILES structures, with natural language explanations. The programs themselves constitute an explainable computable ontological model of chemical class nomenclature, which we call the ChEBI Chemical Class Program Ontology (C3PO). We validated our approach against the ChEBI database, and compared our results against state of the art deep learning models. We also demonstrate the use of C3PO to classify out-of-distribution examples taken from metabolomics repositories and natural product databases. We also demonstrate the potential use of our approach to find systematic classification errors in existing chemical databases, and show how an ensemble artificial intelligence approach combining generated ontologies, automated literature search, and multimodal vision models can be used to pinpoint potential errors requiring expert validation

This study introduces OpenECG, a large-scale benchmark of 1.2 million 12-lead ECG recordings from nine centers, to evaluate ECG foundation models (ECG-FMs) trained on public datasets. We investigate three self-supervised learning methods (SimCLR, BYOL, MAE) with ResNet-50 and Vision Transformer architectures, assessing model generalization through leave-one-dataset-out experiments and data scaling analysis. Results show that pre-training on diverse datasets significantly improves generalization, with BYOL and MAE outperforming SimCLR, highlighting the efficacy of feature-consistency and generative learning over contrastive approaches. Data scaling experiments reveal that performance saturates at 60-70% of total data for BYOL and MAE, while SimCLR requires more data. These findings demonstrate that publicly available ECG data can match or surpass proprietary datasets in training robust ECG-FMs, paving the way for scalable, clinically meaningful AI-driven ECG analysis.

We consider the image transmission problem over a noisy wireless channel via deep learning-based joint source-channel coding (DeepJSCC) along with a denoising diffusion probabilistic model (DDPM) at the receiver. Specifically, we are interested in the perception-distortion trade-off in the practical finite block length regime, in which separate source and channel coding can be highly suboptimal. We introduce a novel scheme that utilizes the range-null space decomposition of the target image. We transmit the range-space of the image after encoding and employ DDPM to progressively refine its null space contents. Through extensive experiments, we demonstrate significant improvements in distortion and perceptual quality of reconstructed images compared to standard DeepJSCC and the state-of-the-art generative learning-based method. We will publicly share our source code to facilitate further research and reproducibility.

Deep learning has demonstrated tremendous success in variety of application domains in the past few years. This new field of machine learning has been growing rapidly and applied in most of the application domains with some new modalities of applications, which helps to open new opportunity. There are different methods have been proposed on different category of learning approaches, which includes supervised, semi-supervised and un-supervised learning. The experimental results show state-of-the-art performance of deep learning over traditional machine learning approaches in the field of Image Processing, Computer Vision, Speech Recognition, Machine Translation, Art, Medical imaging, Medical information processing, Robotics and control, Bio-informatics, Natural Language Processing (NLP), Cyber security, and many more. This report presents a brief survey on development of DL approaches, including Deep Neural Network (DNN), Convolutional Neural Network (CNN), Recurrent Neural Network (RNN) including Long Short Term Memory (LSTM) and Gated Recurrent Units (GRU), Auto-Encoder (AE), Deep Belief Network (DBN), Generative Adversarial Network (GAN), and Deep Reinforcement Learning (DRL). In addition, we have included recent development of proposed advanced variant DL techniques based on the mentioned DL approaches. Furthermore, DL approaches have explored and evaluated in different application domains are also included in this survey. We have also comprised recently developed frameworks, SDKs, and benchmark datasets that are used for implementing and evaluating deep learning approaches. There are some surveys have published on Deep Learning in Neural Networks [1, 38] and a survey on RL [234]. However, those papers have not discussed the individual advanced techniques for training large scale deep learning models and the recently developed method of generative models [1].

Ligand molecule conformation generation is a critical challenge in drug discovery. Deep learning models have been developed to tackle this problem, particularly through the use of generative models in recent years. However, these models often generate conformations that lack meaningful structure and randomness due to the absence of essential side information. Examples of such side information include the chemical and geometric features of the target protein, ligand-target compound interactions, and ligand chemical properties. Without these constraints, the generated conformations may not be suitable for further selection and design of new drugs. To address this limitation, we propose a novel method for generating ligand conformations that leverage side information and incorporate flexible constraints into standard diffusion models. Drawing inspiration from the concept of message passing, we introduce ligand-target massage passing block, a mechanism that facilitates the exchange of information between target nodes and ligand nodes, thereby incorporating target node features. To capture non-covalent interactions, we introduce ligand-target compound inter and intra edges. To further improve the biological relevance of the generated conformations, we train energy models using scalar chemical features. These models guide the progress of the standard Denoising Diffusion Probabilistic Models, resulting in more biologically meaningful conformations. We evaluate the performance of SIDEGEN using the PDBBind-2020 dataset, comparing it against other methods. The results demonstrate improvements in both Aligned RMSD and Ligand RMSD evaluations. Specifically, our model outperforms GeoDiff (trained on PDBBind-2020) by 20% in terms of the median aligned RMSD metric.

At the core of both successful generative and self-supervised representation learning models there is a reconstruction objective that incorporates some form of image corruption. Diffusion models implement this approach through a scheduled Gaussian corruption process, while masked auto-encoder models do so by masking patches of the image. Despite their different approaches, the underlying similarity in their methodologies suggests a promising avenue for an auto-encoder capable of both de-noising tasks. We propose a unified self-supervised objective, dubbed Unified Masked Diffusion (UMD), that combines patch-based and noise-based corruption techniques within a single auto-encoding framework. Specifically, UMD modifies the diffusion transformer (DiT) training process by introducing an additional noise-free, high masking representation step in the diffusion noising schedule, and utilizes a mixed masked and noised image for subsequent timesteps. By integrating features useful for diffusion modeling and for predicting masked patch tokens, UMD achieves strong performance in downstream generative and representation learning tasks, including linear probing and class-conditional generation. This is achieved without the need for heavy data augmentations, multiple views, or additional encoders. Furthermore, UMD improves over the computational efficiency of prior diffusion based methods in total training time. We release our code at https://github.com/philippe-eecs/small-vision.

The advancement of visual intelligence is intrinsically tethered to the availability of large-scale data. In parallel, generative Artificial Intelligence (AI) has unlocked the potential to create synthetic images that closely resemble real-world photographs. This prompts a compelling inquiry: how much visual intelligence could benefit from the advance of generative AI? This paper explores the innovative concept of harnessing these AI-generated images as new data sources, reshaping traditional modeling paradigms in visual intelligence. In contrast to real data, AI-generated data exhibit remarkable advantages, including unmatched abundance and scalability, the rapid generation of vast datasets, and the effortless simulation of edge cases. Built on the success of generative AI models, we examine the potential of their generated data in a range of applications, from training machine learning models to simulating scenarios for computational modeling, testing, and validation. We probe the technological foundations that support this groundbreaking use of generative AI, engaging in an in-depth discussion on the ethical, legal, and practical considerations that accompany this transformative paradigm shift. Through an exhaustive survey of current technologies and applications, this paper presents a comprehensive view of the synthetic era in visual intelligence. A project associated with this paper can be found at https://github.com/mwxely/AIGS .

When it comes to deploying deep vision models, the behavior of these systems must be explicable to ensure confidence in their reliability and fairness. A common approach to evaluate deep learning models is to build a labeled test set with attributes of interest and assess how well it performs. However, creating a balanced test set (i.e., one that is uniformly sampled over all the important traits) is often time-consuming, expensive, and prone to mistakes. The question we try to address is: can we evaluate the sensitivity of deep learning models to arbitrary visual attributes without an annotated test set? This paper argues the case that Zero-shot Model Diagnosis (ZOOM) is possible without the need for a test set nor labeling. To avoid the need for test sets, our system relies on a generative model and CLIP. The key idea is enabling the user to select a set of prompts (relevant to the problem) and our system will automatically search for semantic counterfactual images (i.e., synthesized images that flip the prediction in the case of a binary classifier) using the generative model. We evaluate several visual tasks (classification, key-point detection, and segmentation) in multiple visual domains to demonstrate the viability of our methodology. Extensive experiments demonstrate that our method is capable of producing counterfactual images and offering sensitivity analysis for model diagnosis without the need for a test set.

Exponential moving average (EMA) has recently gained significant popularity in training modern deep learning models, especially diffusion-based generative models. However, there have been few theoretical results explaining the effectiveness of EMA. In this paper, to better understand EMA, we establish the risk bound of online SGD with EMA for high-dimensional linear regression, one of the simplest overparameterized learning tasks that shares similarities with neural networks. Our results indicate that (i) the variance error of SGD with EMA is always smaller than that of SGD without averaging, and (ii) unlike SGD with iterate averaging from the beginning, the bias error of SGD with EMA decays exponentially in every eigen-subspace of the data covariance matrix. Additionally, we develop proof techniques applicable to the analysis of a broad class of averaging schemes.

Which generative model is the most suitable for Continual Learning? This paper aims at evaluating and comparing generative models on disjoint sequential image generation tasks. We investigate how several models learn and forget, considering various strategies: rehearsal, regularization, generative replay and fine-tuning. We used two quantitative metrics to estimate the generation quality and memory ability. We experiment with sequential tasks on three commonly used benchmarks for Continual Learning (MNIST, Fashion MNIST and CIFAR10). We found that among all models, the original GAN performs best and among Continual Learning strategies, generative replay outperforms all other methods. Even if we found satisfactory combinations on MNIST and Fashion MNIST, training generative models sequentially on CIFAR10 is particularly instable, and remains a challenge. Our code is available online \url{https://github.com/TLESORT/Generative\_Continual\_Learning}.

The rapid advancement of generative models has enabled modern AI systems to comprehend and produce highly sophisticated content, even achieving human-level performance in specific domains. However, these models remain fundamentally constrained by catastrophic forgetting - a persistent challenge where adapting to new tasks typically leads to significant degradation in performance on previously learned tasks. To address this practical limitation, numerous approaches have been proposed to enhance the adaptability and scalability of generative models in real-world applications. In this work, we present a comprehensive survey of continual learning methods for mainstream generative models, including large language models, multimodal large language models, vision language action models, and diffusion models. Drawing inspiration from the memory mechanisms of the human brain, we systematically categorize these approaches into three paradigms: architecture-based, regularization-based, and replay-based methods, while elucidating their underlying methodologies and motivations. We further analyze continual learning setups for different generative models, including training objectives, benchmarks, and core backbones, offering deeper insights into the field. The project page of this paper is available at https://github.com/Ghy0501/Awesome-Continual-Learning-in-Generative-Models.

While score-based generative models (SGMs) have achieved remarkable success in enormous image generation tasks, their mathematical foundations are still limited. In this paper, we analyze the approximation and generalization of SGMs in learning a family of sub-Gaussian probability distributions. We introduce a notion of complexity for probability distributions in terms of their relative density with respect to the standard Gaussian measure. We prove that if the log-relative density can be locally approximated by a neural network whose parameters can be suitably bounded, then the distribution generated by empirical score matching approximates the target distribution in total variation with a dimension-independent rate. We illustrate our theory through examples, which include certain mixtures of Gaussians. An essential ingredient of our proof is to derive a dimension-free deep neural network approximation rate for the true score function associated with the forward process, which is interesting in its own right.

Foundation models have revolutionized fields such as natural language processing and computer vision by enabling general-purpose learning across diverse tasks and datasets. However, building analogous models for human mobility remains challenging due to the privacy-sensitive nature of mobility data and the resulting data silos across institutions. To bridge this gap, we propose MoveGCL, a scalable and privacy-preserving framework for training mobility foundation models via generative continual learning. Without sharing raw data, MoveGCL enables decentralized and progressive model evolution by replaying synthetic trajectories generated from a frozen teacher model, and reinforces knowledge retention through a tailored distillation strategy that mitigates catastrophic forgetting. To address the heterogeneity of mobility patterns, MoveGCL incorporates a Mixture-of-Experts Transformer with a mobility-aware expert routing mechanism, and employs a layer-wise progressive adaptation strategy to stabilize continual updates. Experiments on six real-world urban datasets demonstrate that MoveGCL achieves performance comparable to joint training and significantly outperforms federated learning baselines, while offering strong privacy protection. MoveGCL marks a crucial step toward unlocking foundation models for mobility, offering a practical blueprint for open, scalable, and privacy-preserving model development in the era of foundation models.

Generalized feed-forward Gaussian models have achieved significant progress in sparse-view 3D reconstruction by leveraging prior knowledge from large multi-view datasets. However, these models often struggle to represent high-frequency details due to the limited number of Gaussians. While the densification strategy used in per-scene 3D Gaussian splatting (3D-GS) optimization can be adapted to the feed-forward models, it may not be ideally suited for generalized scenarios. In this paper, we propose Generative Densification, an efficient and generalizable method to densify Gaussians generated by feed-forward models. Unlike the 3D-GS densification strategy, which iteratively splits and clones raw Gaussian parameters, our method up-samples feature representations from the feed-forward models and generates their corresponding fine Gaussians in a single forward pass, leveraging the embedded prior knowledge for enhanced generalization. Experimental results on both object-level and scene-level reconstruction tasks demonstrate that our method outperforms state-of-the-art approaches with comparable or smaller model sizes, achieving notable improvements in representing fine details.

Reinforcement Learning with Human Feedback (RLHF) has been demonstrated to significantly enhance the performance of large language models (LLMs) by aligning their outputs with desired human values through instruction tuning. However, RLHF is constrained by the expertise and productivity limitations of human evaluators. A response to this downside is to fall back to supervised fine-tuning (SFT) with additional carefully selected expert demonstrations. However, while this method has been proven to be effective, it invariably also leads to increased human-in-the-loop overhead. In this study, we propose another alternative approach: Reinforcement Learning with Generative Adversarial Feedback (RLGAF) to RLHF and SFT, which uses a generative adversarial training style to enable the LLMs to learn useful human expert demonstrations without being directly exposed to the training examples, thus enabling good generalization capabilities while preserving sample efficiency. Our preliminary findings indicate that RLGAF can help align LLMs outputs with competitive performance against RLHF and SFT, while not suffering from their respective inherent restrictions, suggesting promising avenues for further research on automating AI alignment.

High-precision modeling of systems is one of the main areas of industrial data analysis. Models of systems, their digital twins, are used to predict their behavior under various conditions. We have developed several models of a storage system using machine learning-based generative models. The system consists of several components: hard disk drive (HDD) and solid-state drive (SSD) storage pools with different RAID schemes and cache. Each storage component is represented by a probabilistic model that describes the probability distribution of the component performance in terms of IOPS and latency, depending on their configuration and external data load parameters. The results of the experiments demonstrate the errors of 4-10 % for IOPS and 3-16 % for latency predictions depending on the components and models of the system. The predictions show up to 0.99 Pearson correlation with Little's law, which can be used for unsupervised reliability checks of the models. In addition, we present novel data sets that can be used for benchmarking regression algorithms, conditional generative models, and uncertainty estimation methods in machine learning.

Prevailing methods for training Large Language Models (LLMs) as text encoders rely on contrastive losses that treat the model as a black box function, discarding its generative and reasoning capabilities in favor of static embeddings. We introduce GRACE (Generative Representation Learning via Contrastive Policy Optimization), a novel framework that reimagines contrastive signals not as losses to be minimized, but as rewards that guide a generative policy. In GRACE, the LLM acts as a policy that produces explicit, human-interpretable rationales--structured natural language explanations of its semantic understanding. These rationales are then encoded into high-quality embeddings via mean pooling. Using policy gradient optimization, we train the model with a multi-component reward function that maximizes similarity between query positive pairs and minimizes similarity with negatives. This transforms the LLM from an opaque encoder into an interpretable agent whose reasoning process is transparent and inspectable. On MTEB benchmark, GRACE yields broad cross category gains: averaged over four backbones, the supervised setting improves overall score by 11.5% over base models, and the unsupervised variant adds 6.9%, while preserving general capabilities. This work treats contrastive objectives as rewards over rationales, unifying representation learning with generation to produce stronger embeddings and transparent rationales. The model, data and code are available at https://github.com/GasolSun36/GRACE.

There is a growing concern that learned conditional generative models may output samples that are substantially similar to some copyrighted data C that was in their training set. We give a formal definition of near access-freeness (NAF) and prove bounds on the probability that a model satisfying this definition outputs a sample similar to C, even if C is included in its training set. Roughly speaking, a generative model p is $k-NAF if for every potentially copyrighted data C, the output of p diverges by at most k-bits from the output of a model q that did not access C at all$. We also give generative model learning algorithms, which efficiently modify the original generative model learning algorithm in a black box manner, that output generative models with strong bounds on the probability of sampling protected content. Furthermore, we provide promising experiments for both language (transformers) and image (diffusion) generative models, showing minimal degradation in output quality while ensuring strong protections against sampling protected content.

Diffusion-based generative models have recently gained attention in speech enhancement (SE), providing an alternative to conventional supervised methods. These models transform clean speech training samples into Gaussian noise centered at noisy speech, and subsequently learn a parameterized model to reverse this process, conditionally on noisy speech. Unlike supervised methods, generative-based SE approaches usually rely solely on an unsupervised loss, which may result in less efficient incorporation of conditioned noisy speech. To address this issue, we propose augmenting the original diffusion training objective with a mean squared error (MSE) loss, measuring the discrepancy between estimated enhanced speech and ground-truth clean speech at each reverse process iteration. Experimental results demonstrate the effectiveness of our proposed methodology.

Learning from preference feedback is a common practice for aligning large language models~(LLMs) with human value. Conventionally, preference data is learned and encoded into a scalar reward model that connects a value head with an LLM to produce a scalar score as preference or reward. However, scalar models lack interpretability and are known to be susceptible to biases in datasets. This paper investigates leveraging the generation capability of LLMs to address both limitations in one shot. Specifically, we prompt the pre-trained LLM to generate positive and negative judgments, both supported with rationales in natural language form. The self-generated contrastive judgment pairs are used to train the generative judge with Direct Preference Optimization (DPO). This proposal of training the generative Judge using self-generated Contrastive judgments (Con-J) ensures natural interpretability due to the generated rationales together with the judgments, as well as high robustness against bias without the need for an additional reward head. Experimental results show that the performance of Con-J is comparable to the scalar reward model trained on the same collection of preference data, and demonstrate its superior interpretability and robustness in encoding human preferences.

Many have observed that the development and deployment of generative machine learning (ML) and artificial intelligence (AI) models follow a distinctive pattern in which pre-trained models are adapted and fine-tuned for specific downstream tasks. However, there is limited empirical work that examines the structure of these interactions. This paper analyzes 1.86 million models on Hugging Face, a leading peer production platform for model development. Our study of model family trees -- networks that connect fine-tuned models to their base or parent -- reveals sprawling fine-tuning lineages that vary widely in size and structure. Using an evolutionary biology lens to study ML models, we use model metadata and model cards to measure the genetic similarity and mutation of traits over model families. We find that models tend to exhibit a family resemblance, meaning their genetic markers and traits exhibit more overlap when they belong to the same model family. However, these similarities depart in certain ways from standard models of asexual reproduction, because mutations are fast and directed, such that two `sibling' models tend to exhibit more similarity than parent/child pairs. Further analysis of the directional drifts of these mutations reveals qualitative insights about the open machine learning ecosystem: Licenses counter-intuitively drift from restrictive, commercial licenses towards permissive or copyleft licenses, often in violation of upstream license's terms; models evolve from multi-lingual compatibility towards english-only compatibility; and model cards reduce in length and standardize by turning, more often, to templates and automatically generated text. Overall, this work takes a step toward an empirically grounded understanding of model fine-tuning and suggests that ecological models and methods can yield novel scientific insights.

Low-quality or scarce data has posed significant challenges for training deep neural networks in practice. While classical data augmentation cannot contribute very different new data, diffusion models opens up a new door to build self-evolving AI by generating high-quality and diverse synthetic data through text-guided prompts. However, text-only guidance cannot control synthetic images' proximity to the original images, resulting in out-of-distribution data detrimental to the model performance. To overcome the limitation, we study image guidance to achieve a spectrum of interpolations between synthetic and real images. With stronger image guidance, the generated images are similar to the training data but hard to learn. While with weaker image guidance, the synthetic images will be easier for model but contribute to a larger distribution gap with the original data. The generated full spectrum of data enables us to build a novel "Diffusion Curriculum (DisCL)". DisCL adjusts the image guidance level of image synthesis for each training stage: It identifies and focuses on hard samples for the model and assesses the most effective guidance level of synthetic images to improve hard data learning. We apply DisCL to two challenging tasks: long-tail (LT) classification and learning from low-quality data. It focuses on lower-guidance images of high-quality to learn prototypical features as a warm-up of learning higher-guidance images that might be weak on diversity or quality. Extensive experiments showcase a gain of 2.7% and 2.1% in OOD and ID macro-accuracy when applying DisCL to iWildCam dataset. On ImageNet-LT, DisCL improves the base model's tail-class accuracy from 4.4% to 23.64% and leads to a 4.02% improvement in all-class accuracy.

We introduce GUIDE, a novel continual learning approach that directs diffusion models to rehearse samples at risk of being forgotten. Existing generative strategies combat catastrophic forgetting by randomly sampling rehearsal examples from a generative model. Such an approach contradicts buffer-based approaches where sampling strategy plays an important role. We propose to bridge this gap by incorporating classifier guidance into the diffusion process to produce rehearsal examples specifically targeting information forgotten by a continuously trained model. This approach enables the generation of samples from preceding task distributions, which are more likely to be misclassified in the context of recently encountered classes. Our experimental results show that GUIDE significantly reduces catastrophic forgetting, outperforming conventional random sampling approaches and surpassing recent state-of-the-art methods in continual learning with generative replay.

Deep generative models have emerged as a transformative tool in medical imaging, offering substantial potential for synthetic data generation. However, recent empirical studies highlight a critical vulnerability: these models can memorize sensitive training data, posing significant risks of unauthorized patient information disclosure. Detecting memorization in generative models remains particularly challenging, necessitating scalable methods capable of identifying training data leakage across large sets of generated samples. In this work, we propose DeepSSIM, a novel self-supervised metric for quantifying memorization in generative models. DeepSSIM is trained to: i) project images into a learned embedding space and ii) force the cosine similarity between embeddings to match the ground-truth SSIM (Structural Similarity Index) scores computed in the image space. To capture domain-specific anatomical features, training incorporates structure-preserving augmentations, allowing DeepSSIM to estimate similarity reliably without requiring precise spatial alignment. We evaluate DeepSSIM in a case study involving synthetic brain MRI data generated by a Latent Diffusion Model (LDM) trained under memorization-prone conditions, using 2,195 MRI scans from two publicly available datasets (IXI and CoRR). Compared to state-of-the-art memorization metrics, DeepSSIM achieves superior performance, improving F1 scores by an average of +52.03% over the best existing method. Code and data of our approach are publicly available at the following link: https://github.com/brAIn-science/DeepSSIM.

Predicting temporal progress from visual trajectories is important for intelligent robots that can learn, adapt, and improve. However, learning such progress estimator, or temporal value function, across different tasks and domains requires both a large amount of diverse data and methods which can scale and generalize. To address these challenges, we present Generative Value Learning (\GVL), a universal value function estimator that leverages the world knowledge embedded in vision-language models (VLMs) to predict task progress. Naively asking a VLM to predict values for a video sequence performs poorly due to the strong temporal correlation between successive frames. Instead, GVL poses value estimation as a temporal ordering problem over shuffled video frames; this seemingly more challenging task encourages VLMs to more fully exploit their underlying semantic and temporal grounding capabilities to differentiate frames based on their perceived task progress, consequently producing significantly better value predictions. Without any robot or task specific training, GVL can in-context zero-shot and few-shot predict effective values for more than 300 distinct real-world tasks across diverse robot platforms, including challenging bimanual manipulation tasks. Furthermore, we demonstrate that GVL permits flexible multi-modal in-context learning via examples from heterogeneous tasks and embodiments, such as human videos. The generality of GVL enables various downstream applications pertinent to visuomotor policy learning, including dataset filtering, success detection, and advantage-weighted regression -- all without any model training or finetuning.

Learning graph generative models over latent spaces has received less attention compared to models that operate on the original data space and has so far demonstrated lacklustre performance. We present GLAD a latent space graph generative model. Unlike most previous latent space graph generative models, GLAD operates on a discrete latent space that preserves to a significant extent the discrete nature of the graph structures making no unnatural assumptions such as latent space continuity. We learn the prior of our discrete latent space by adapting diffusion bridges to its structure. By operating over an appropriately constructed latent space we avoid relying on decompositions that are often used in models that operate in the original data space. We present experiments on a series of graph benchmark datasets which clearly show the superiority of the discrete latent space and obtain state of the art graph generative performance, making GLAD the first latent space graph generative model with competitive performance. Our source code is published at: https://github.com/v18nguye/GLAD.

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.

This study explores the potential of open-source video conditional generation models as encoders for downstream tasks, focusing on instance segmentation using the BAIR Robot Pushing Dataset. The researchers propose using video prediction models as general visual encoders, leveraging their ability to capture critical spatial and temporal information which is essential for tasks such as instance segmentation. Inspired by human vision studies, particularly Gestalts principle of common fate, the approach aims to develop a latent space representative of motion from images to effectively discern foreground from background information. The researchers utilize a 3D Vector-Quantized Variational Autoencoder 3D VQVAE video generative encoder model conditioned on an input frame, coupled with downstream segmentation tasks. Experiments involve adapting pre-trained video generative models, analyzing their latent spaces, and training custom decoders for foreground-background segmentation. The findings demonstrate promising results in leveraging generative pretext learning for downstream tasks, working towards enhanced scene analysis and segmentation in computer vision applications.

The data landscape is rich with structured data, often of high value to organizations, driving important applications in data analysis and machine learning. Recent progress in representation learning and generative models for such data has led to the development of natural language interfaces to structured data, including those leveraging text-to-SQL. Contextualizing interactions, either through conversational interfaces or agentic components, in structured data through retrieval-augmented generation can provide substantial benefits in the form of freshness, accuracy, and comprehensiveness of answers. The key question is: how do we retrieve the right table(s) for the analytical query or task at hand? To this end, we introduce TARGET: a benchmark for evaluating TAble Retrieval for GEnerative Tasks. With TARGET we analyze the retrieval performance of different retrievers in isolation, as well as their impact on downstream tasks. We find that dense embedding-based retrievers far outperform a BM25 baseline which is less effective than it is for retrieval over unstructured text. We also surface the sensitivity of retrievers across various metadata (e.g., missing table titles), and demonstrate a stark variation of retrieval performance across datasets and tasks. TARGET is available at https://target-benchmark.github.io.

Unsupervised learning of 3D-aware generative adversarial networks has lately made much progress. Some recent work demonstrates promising results of learning human generative models using neural articulated radiance fields, yet their generalization ability and controllability lag behind parametric human models, i.e., they do not perform well when generalizing to novel pose/shape and are not part controllable. To solve these problems, we propose VeRi3D, a generative human vertex-based radiance field parameterized by vertices of the parametric human template, SMPL. We map each 3D point to the local coordinate system defined on its neighboring vertices, and use the corresponding vertex feature and local coordinates for mapping it to color and density values. We demonstrate that our simple approach allows for generating photorealistic human images with free control over camera pose, human pose, shape, as well as enabling part-level editing.

With the remarkable recent progress on learning deep generative models, it becomes increasingly interesting to develop models for controllable image synthesis from reconfigurable inputs. This paper focuses on a recent emerged task, layout-to-image, to learn generative models that are capable of synthesizing photo-realistic images from spatial layout (i.e., object bounding boxes configured in an image lattice) and style (i.e., structural and appearance variations encoded by latent vectors). This paper first proposes an intuitive paradigm for the task, layout-to-mask-to-image, to learn to unfold object masks of given bounding boxes in an input layout to bridge the gap between the input layout and synthesized images. Then, this paper presents a method built on Generative Adversarial Networks for the proposed layout-to-mask-to-image with style control at both image and mask levels. Object masks are learned from the input layout and iteratively refined along stages in the generator network. Style control at the image level is the same as in vanilla GANs, while style control at the object mask level is realized by a proposed novel feature normalization scheme, Instance-Sensitive and Layout-Aware Normalization. In experiments, the proposed method is tested in the COCO-Stuff dataset and the Visual Genome dataset with state-of-the-art performance obtained.

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

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

Recently, learning-based models have enhanced the performance of single-image super-resolution (SISR). However, applying SISR successively to each video frame leads to a lack of temporal coherency. Convolutional neural networks (CNNs) outperform traditional approaches in terms of image quality metrics such as peak signal to noise ratio (PSNR) and structural similarity (SSIM). However, generative adversarial networks (GANs) offer a competitive advantage by being able to mitigate the issue of a lack of finer texture details, usually seen with CNNs when super-resolving at large upscaling factors. We present iSeeBetter, a novel GAN-based spatio-temporal approach to video super-resolution (VSR) that renders temporally consistent super-resolution videos. iSeeBetter extracts spatial and temporal information from the current and neighboring frames using the concept of recurrent back-projection networks as its generator. Furthermore, to improve the "naturality" of the super-resolved image while eliminating artifacts seen with traditional algorithms, we utilize the discriminator from super-resolution generative adversarial network (SRGAN). Although mean squared error (MSE) as a primary loss-minimization objective improves PSNR/SSIM, these metrics may not capture fine details in the image resulting in misrepresentation of perceptual quality. To address this, we use a four-fold (MSE, perceptual, adversarial, and total-variation (TV)) loss function. Our results demonstrate that iSeeBetter offers superior VSR fidelity and surpasses state-of-the-art performance.

Scalable Vector Graphics (SVG) are ubiquitous in modern 2D interfaces due to their ability to scale to different resolutions. However, despite the success of deep learning-based models applied to rasterized images, the problem of vector graphics representation learning and generation remains largely unexplored. In this work, we propose a novel hierarchical generative network, called DeepSVG, for complex SVG icons generation and interpolation. Our architecture effectively disentangles high-level shapes from the low-level commands that encode the shape itself. The network directly predicts a set of shapes in a non-autoregressive fashion. We introduce the task of complex SVG icons generation by releasing a new large-scale dataset along with an open-source library for SVG manipulation. We demonstrate that our network learns to accurately reconstruct diverse vector graphics, and can serve as a powerful animation tool by performing interpolations and other latent space operations. Our code is available at https://github.com/alexandre01/deepsvg.

Sequential Bayesian inference can be used for continual learning to prevent catastrophic forgetting of past tasks and provide an informative prior when learning new tasks. We revisit sequential Bayesian inference and test whether having access to the true posterior is guaranteed to prevent catastrophic forgetting in Bayesian neural networks. To do this we perform sequential Bayesian inference using Hamiltonian Monte Carlo. We propagate the posterior as a prior for new tasks by fitting a density estimator on Hamiltonian Monte Carlo samples. We find that this approach fails to prevent catastrophic forgetting demonstrating the difficulty in performing sequential Bayesian inference in neural networks. From there we study simple analytical examples of sequential Bayesian inference and CL and highlight the issue of model misspecification which can lead to sub-optimal continual learning performance despite exact inference. Furthermore, we discuss how task data imbalances can cause forgetting. From these limitations, we argue that we need probabilistic models of the continual learning generative process rather than relying on sequential Bayesian inference over Bayesian neural network weights. In this vein, we also propose a simple baseline called Prototypical Bayesian Continual Learning, which is competitive with state-of-the-art Bayesian continual learning methods on class incremental continual learning vision benchmarks.

Large-scale recommendation systems are characterized by their reliance on high cardinality, heterogeneous features and the need to handle tens of billions of user actions on a daily basis. Despite being trained on huge volume of data with thousands of features, most Deep Learning Recommendation Models (DLRMs) in industry fail to scale with compute. Inspired by success achieved by Transformers in language and vision domains, we revisit fundamental design choices in recommendation systems. We reformulate recommendation problems as sequential transduction tasks within a generative modeling framework (``Generative Recommenders''), and propose a new architecture, HSTU, designed for high cardinality, non-stationary streaming recommendation data. HSTU outperforms baselines over synthetic and public datasets by up to 65.8\% in NDCG, and is 5.3x to 15.2x faster than FlashAttention2-based Transformers on 8192 length sequences. HSTU-based Generative Recommenders, with 1.5 trillion parameters, improve metrics in online A/B tests by 12.4\% and have been deployed on multiple surfaces of a large internet platform with billions of users. More importantly, the model quality of Generative Recommenders empirically scales as a power-law of training compute across three orders of magnitude, up to GPT-3/LLaMa-2 scale, which reduces carbon footprint needed for future model developments, and further paves the way for the first foundational models in recommendations.

How to decode human vision through neural signals has attracted a long-standing interest in neuroscience and machine learning. Modern contrastive learning and generative models improved the performance of fMRI-based visual decoding and reconstruction. However, the high cost and low temporal resolution of fMRI limit their applications in brain-computer interfaces (BCIs), prompting a high need for EEG-based visual reconstruction. In this study, we present an EEG-based visual reconstruction framework. It consists of a plug-and-play EEG encoder called the Adaptive Thinking Mapper (ATM), which is aligned with image embeddings, and a two-stage EEG guidance image generator that first transforms EEG features into image priors and then reconstructs the visual stimuli with a pre-trained image generator. Our approach allows EEG embeddings to achieve superior performance in image classification and retrieval tasks. Our two-stage image generation strategy vividly reconstructs images seen by humans. Furthermore, we analyzed the impact of signals from different time windows and brain regions on decoding and reconstruction. The versatility of our framework is demonstrated in the magnetoencephalogram (MEG) data modality. We report that EEG-based visual decoding achieves SOTA performance, highlighting the portability, low cost, and high temporal resolution of EEG, enabling a wide range of BCI applications. The code of ATM is available at https://github.com/dongyangli-del/EEG_Image_decode.

Generative machine learning methods, such as diffusion models and flow matching, have shown great potential in modeling complex system behaviors and building efficient surrogate models. However, these methods typically learn the underlying physics implicitly from data. We propose Physics-Based Flow Matching (PBFM), a novel generative framework that explicitly embeds physical constraints, both PDE residuals and algebraic relations, into the flow matching objective. We also introduce temporal unrolling at training time that improves the accuracy of the final, noise-free sample prediction. Our method jointly minimizes the flow matching loss and the physics-based residual loss without requiring hyperparameter tuning of their relative weights. Additionally, we analyze the role of the minimum noise level, sigma_{min}, in the context of physical constraints and evaluate a stochastic sampling strategy that helps to reduce physical residuals. Through extensive benchmarks on three representative PDE problems, we show that our approach yields up to an 8times more accurate physical residuals compared to FM, while clearly outperforming existing algorithms in terms of distributional accuracy. PBFM thus provides a principled and efficient framework for surrogate modeling, uncertainty quantification, and accelerated simulation in physics and engineering applications.

Data scarcity remains one of the most limiting factors in driving progress in robotics. However, the amount of available robotics data in the wild is growing exponentially, creating new opportunities for large-scale data utilization. Reliable temporal task completion prediction could help automatically annotate and curate this data at scale. The Generative Value Learning (GVL) approach was recently proposed, leveraging the knowledge embedded in vision-language models (VLMs) to predict task progress from visual observations. Building upon GVL, we propose OpenGVL, a comprehensive benchmark for estimating task progress across diverse challenging manipulation tasks involving both robotic and human embodiments. We evaluate the capabilities of publicly available open-source foundation models, showing that open-source model families significantly underperform closed-source counterparts, achieving only approximately 70% of their performance on temporal progress prediction tasks. Furthermore, we demonstrate how OpenGVL can serve as a practical tool for automated data curation and filtering, enabling efficient quality assessment of large-scale robotics datasets. We release the benchmark along with the complete codebase at github.com/budzianowski/opengvl{OpenGVL}.

Pose-invariant face recognition has become a challenging problem for modern AI-based face recognition systems. It aims at matching a profile face captured in the wild with a frontal face registered in a database. Existing methods perform face frontalization via either generative models or learning a pose robust feature representation. In this paper, a new method is presented to perform face frontalization and recognition within the feature space. First, a novel feature space pose frontalization module (FSPFM) is proposed to transform profile images with arbitrary angles into frontal counterparts. Second, a new training paradigm is proposed to maximize the potential of FSPFM and boost its performance. The latter consists of a pre-training and an attention-guided fine-tuning stage. Moreover, extensive experiments have been conducted on five popular face recognition benchmarks. Results show that not only our method outperforms the state-of-the-art in the pose-invariant face recognition task but also maintains superior performance in other standard scenarios.

Solving mechanics problems using numerical methods requires comprehensive intelligent capability of retrieving relevant knowledge and theory, constructing and executing codes, analyzing the results, a task that has thus far mainly been reserved for humans. While emerging AI methods can provide effective approaches to solve end-to-end problems, for instance via the use of deep surrogate models or various data analytics strategies, they often lack physical intuition since knowledge is baked into the parametric complement through training, offering less flexibility when it comes to incorporating mathematical or physical insights. By leveraging diverse capabilities of multiple dynamically interacting large language models (LLMs), we can overcome the limitations of conventional approaches and develop a new class of physics-inspired generative machine learning platform, here referred to as MechAgents. A set of AI agents can solve mechanics tasks, here demonstrated for elasticity problems, via autonomous collaborations. A two-agent team can effectively write, execute and self-correct code, in order to apply finite element methods to solve classical elasticity problems in various flavors (different boundary conditions, domain geometries, meshes, small/finite deformation and linear/hyper-elastic constitutive laws, and others). For more complex tasks, we construct a larger group of agents with enhanced division of labor among planning, formulating, coding, executing and criticizing the process and results. The agents mutually correct each other to improve the overall team-work performance in understanding, formulating and validating the solution. Our framework shows the potential of synergizing the intelligence of language models, the reliability of physics-based modeling, and the dynamic collaborations among diverse agents, opening novel avenues for automation of solving engineering problems.

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

Recent years have seen a surge in the popularity of commercial AI products based on generative, multi-purpose AI systems promising a unified approach to building machine learning (ML) models into technology. However, this ambition of "generality" comes at a steep cost to the environment, given the amount of energy these systems require and the amount of carbon that they emit. In this work, we propose the first systematic comparison of the ongoing inference cost of various categories of ML systems, covering both task-specific (i.e. finetuned models that carry out a single task) and `general-purpose' models, (i.e. those trained for multiple tasks). We measure deployment cost as the amount of energy and carbon required to perform 1,000 inferences on representative benchmark dataset using these models. We find that multi-purpose, generative architectures are orders of magnitude more expensive than task-specific systems for a variety of tasks, even when controlling for the number of model parameters. We conclude with a discussion around the current trend of deploying multi-purpose generative ML systems, and caution that their utility should be more intentionally weighed against increased costs in terms of energy and emissions. All the data from our study can be accessed via an interactive demo to carry out further exploration and analysis.

Since the introduction of deep learning, a wide scope of representation properties, such as decorrelation, whitening, disentanglement, rank, isotropy, and mutual information, have been studied to improve the quality of representation. However, manipulating such properties can be challenging in terms of implementational effectiveness and general applicability. To address these limitations, we propose to regularize von Neumann entropy~(VNE) of representation. First, we demonstrate that the mathematical formulation of VNE is superior in effectively manipulating the eigenvalues of the representation autocorrelation matrix. Then, we demonstrate that it is widely applicable in improving state-of-the-art algorithms or popular benchmark algorithms by investigating domain-generalization, meta-learning, self-supervised learning, and generative models. In addition, we formally establish theoretical connections with rank, disentanglement, and isotropy of representation. Finally, we provide discussions on the dimension control of VNE and the relationship with Shannon entropy. Code is available at: https://github.com/jaeill/CVPR23-VNE.

Humans can imagine goal states during planning and perform actions to match those goals. In this work, we propose Imagination Policy, a novel multi-task key-frame policy network for solving high-precision pick and place tasks. Instead of learning actions directly, Imagination Policy generates point clouds to imagine desired states which are then translated to actions using rigid action estimation. This transforms action inference into a local generative task. We leverage pick and place symmetries underlying the tasks in the generation process and achieve extremely high sample efficiency and generalizability to unseen configurations. Finally, we demonstrate state-of-the-art performance across various tasks on the RLbench benchmark compared with several strong baselines.

While diffusion models have gained prominence in image synthesis, their generative pre-training has been shown to yield discriminative representations, paving the way towards unified visual generation and understanding. However, two key questions remain: 1) Can these representations be leveraged to improve the training of diffusion models themselves, rather than solely benefiting downstream tasks? 2) Can the feature quality be enhanced to rival or even surpass modern self-supervised learners, without compromising generative capability? This work addresses these questions by introducing self-conditioning, a straightforward yet effective mechanism that internally leverages the rich semantics inherent in denoising network to guide its own decoding layers, forming a tighter bottleneck that condenses high-level semantics to improve generation. Results are compelling: our method boosts both generation FID and recognition accuracy with 1% computational overhead and generalizes across diverse diffusion architectures. Crucially, self-conditioning facilitates an effective integration of discriminative techniques, such as contrastive self-distillation, directly into diffusion models without sacrificing generation quality. Extensive experiments on pixel-space and latent-space datasets show that in linear evaluations, our enhanced diffusion models, particularly UViT and DiT, serve as strong representation learners, surpassing various self-supervised models.

The foundation models have recently shown excellent performance on a variety of downstream tasks in computer vision. However, most existing vision foundation models simply focus on image-level pretraining and adpation, which are limited for dynamic and complex video-level understanding tasks. To fill the gap, we present general video foundation models, InternVideo, by taking advantage of both generative and discriminative self-supervised video learning. Specifically, InternVideo efficiently explores masked video modeling and video-language contrastive learning as the pretraining objectives, and selectively coordinates video representations of these two complementary frameworks in a learnable manner to boost various video applications. Without bells and whistles, InternVideo achieves state-of-the-art performance on 39 video datasets from extensive tasks including video action recognition/detection, video-language alignment, and open-world video applications. Especially, our methods can obtain 91.1% and 77.2% top-1 accuracy on the challenging Kinetics-400 and Something-Something V2 benchmarks, respectively. All of these results effectively show the generality of our InternVideo for video understanding. The code will be released at https://github.com/OpenGVLab/InternVideo .

Few-Shot Relation Extraction (FSRE) remains a challenging task due to the scarcity of annotated data and the limited generalization capabilities of existing models. Although large language models (LLMs) have demonstrated potential in FSRE through in-context learning (ICL), their general-purpose training objectives often result in suboptimal performance for task-specific relation extraction. To overcome these challenges, we propose TKRE (Two-Stage Knowledge-Guided Pre-training for Relation Extraction), a novel framework that synergistically integrates LLMs with traditional relation extraction models, bridging generative and discriminative learning paradigms. TKRE introduces two key innovations: (1) leveraging LLMs to generate explanation-driven knowledge and schema-constrained synthetic data, addressing the issue of data scarcity; and (2) a two-stage pre-training strategy combining Masked Span Language Modeling (MSLM) and Span-Level Contrastive Learning (SCL) to enhance relational reasoning and generalization. Together, these components enable TKRE to effectively tackle FSRE tasks. Comprehensive experiments on benchmark datasets demonstrate the efficacy of TKRE, achieving new state-of-the-art performance in FSRE and underscoring its potential for broader application in low-resource scenarios. \footnote{The code and data are released on https://github.com/UESTC-GQJ/TKRE.

Solving math problems through verifiable languages such as Lean has significantly impacted both the mathematics and computer science communities. Current state-of-the-art models are often trained with expensive online Reinforcement Learning (RL) or expert iteration. However, these approaches rely on fixed problem sets, which causes inefficient training and limits the model to tackle complex problems. To overcome these limitations, we propose GAR: Generative Adversarial Reinforcement learning, a comprehensive RL training framework that jointly trains the problem composer and solver in an adversarial loop. GAR introduces an implicit curriculum learning mechanism, which aligns task difficulty with the prover's evolving capability. It thereby improves the training efficiency and enables stronger performance of proving advanced theorems. Experiments show that with GAR training, Goedel-Prover-V2-8B and DeepSeek-Prover-V2-7B achieve an average relative improvement in pass@32 of 4.20% on MiniF2F-Test benchmark, while DeepSeek-Prover-V2's pass@32 on ProofNet-Test increases from 22.58% to 25.81%. Beyond formal proving, GAR establishes a general RL paradigm for co-evolution of problem generation and solving under verifiable environments.

Although foundational vision-language models (VLMs) have proven to be very successful for various semantic discrimination tasks, they still struggle to perform faithfully for fine-grained categorization. Moreover, foundational models trained on one domain do not generalize well on a different domain without fine-tuning. We attribute these to the limitations of the VLM's semantic representations and attempt to improve their fine-grained visual awareness using generative modeling. Specifically, we propose two novel methods: Generative Class Prompt Learning (GCPL) and Contrastive Multi-class Prompt Learning (CoMPLe). Utilizing text-to-image diffusion models, GCPL significantly improves the visio-linguistic synergy in class embeddings by conditioning on few-shot exemplars with learnable class prompts. CoMPLe builds on this foundation by introducing a contrastive learning component that encourages inter-class separation during the generative optimization process. Our empirical results demonstrate that such a generative class prompt learning approach substantially outperform existing methods, offering a better alternative to few shot image recognition challenges. The source code will be made available at: https://github.com/soumitri2001/GCPL.

Zero-shot learning (ZSL) addresses the unseen class recognition problem by leveraging semantic information to transfer knowledge from seen classes to unseen classes. Generative models synthesize the unseen visual features and convert ZSL into a classical supervised learning problem. These generative models are trained using the seen classes and are expected to implicitly transfer the knowledge from seen to unseen classes. However, their performance is stymied by overfitting, which leads to substandard performance on Generalized Zero-Shot learning (GZSL). To address this concern, we propose the novel LsrGAN, a generative model that Leverages the Semantic Relationship between seen and unseen categories and explicitly performs knowledge transfer by incorporating a novel Semantic Regularized Loss (SR-Loss). The SR-loss guides the LsrGAN to generate visual features that mirror the semantic relationships between seen and unseen classes. Experiments on seven benchmark datasets, including the challenging Wikipedia text-based CUB and NABirds splits, and Attribute-based AWA, CUB, and SUN, demonstrates the superiority of the LsrGAN compared to previous state-of-the-art approaches under both ZSL and GZSL. Code is available at https: // github. com/ Maunil/ LsrGAN

We present Agent-to-Sim (ATS), a framework for learning interactive behavior models of 3D agents from casual longitudinal video collections. Different from prior works that rely on marker-based tracking and multiview cameras, ATS learns natural behaviors of animal and human agents non-invasively through video observations recorded over a long time-span (e.g., a month) in a single environment. Modeling 3D behavior of an agent requires persistent 3D tracking (e.g., knowing which point corresponds to which) over a long time period. To obtain such data, we develop a coarse-to-fine registration method that tracks the agent and the camera over time through a canonical 3D space, resulting in a complete and persistent spacetime 4D representation. We then train a generative model of agent behaviors using paired data of perception and motion of an agent queried from the 4D reconstruction. ATS enables real-to-sim transfer from video recordings of an agent to an interactive behavior simulator. We demonstrate results on pets (e.g., cat, dog, bunny) and human given monocular RGBD videos captured by a smartphone.

Multimodal learning combines multiple data modalities, broadening the types and complexity of data our models can utilize: for example, from plain text to image-caption pairs. Most multimodal learning algorithms focus on modeling simple one-to-one pairs of data from two modalities, such as image-caption pairs, or audio-text pairs. However, in most real-world settings, entities of different modalities interact with each other in more complex and multifaceted ways, going beyond one-to-one mappings. We propose to represent these complex relationships as graphs, allowing us to capture data with any number of modalities, and with complex relationships between modalities that can flexibly vary from one sample to another. Toward this goal, we propose Multimodal Graph Learning (MMGL), a general and systematic framework for capturing information from multiple multimodal neighbors with relational structures among them. In particular, we focus on MMGL for generative tasks, building upon pretrained Language Models (LMs), aiming to augment their text generation with multimodal neighbor contexts. We study three research questions raised by MMGL: (1) how can we infuse multiple neighbor information into the pretrained LMs, while avoiding scalability issues? (2) how can we infuse the graph structure information among multimodal neighbors into the LMs? and (3) how can we finetune the pretrained LMs to learn from the neighbor context in a parameter-efficient manner? We conduct extensive experiments to answer these three questions on MMGL and analyze the empirical results to pave the way for future MMGL research.

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

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

Kernel continual learning by derakhshani2021kernel has recently emerged as a strong continual learner due to its non-parametric ability to tackle task interference and catastrophic forgetting. Unfortunately its success comes at the expense of an explicit memory to store samples from past tasks, which hampers scalability to continual learning settings with a large number of tasks. In this paper, we introduce generative kernel continual learning, which explores and exploits the synergies between generative models and kernels for continual learning. The generative model is able to produce representative samples for kernel learning, which removes the dependence on memory in kernel continual learning. Moreover, as we replay only on the generative model, we avoid task interference while being computationally more efficient compared to previous methods that need replay on the entire model. We further introduce a supervised contrastive regularization, which enables our model to generate even more discriminative samples for better kernel-based classification performance. We conduct extensive experiments on three widely-used continual learning benchmarks that demonstrate the abilities and benefits of our contributions. Most notably, on the challenging SplitCIFAR100 benchmark, with just a simple linear kernel we obtain the same accuracy as kernel continual learning with variational random features for one tenth of the memory, or a 10.1\% accuracy gain for the same memory budget.

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

While electroencephalogram (EEG) has been a crucial tool for monitoring the brain and diagnosing neurological disorders (e.g., epilepsy), learning meaningful representations from raw EEG signals remains challenging due to limited annotations and high signal variability. Recently, EEG foundation models (FMs) have shown promising potential by adopting transformer architectures and self-supervised pre-training methods from large language models (e.g., masked prediction) to learn representations from diverse EEG data, followed by fine-tuning on specific EEG tasks. Nonetheless, these large models often incurred high computational costs during both training and inference, with only marginal performance improvements as model size increases. In this work, we proposed EEG representation learning framework building upon Generative Diffusion Model (EEGDM). Specifically, we developed structured state-space model for diffusion pretraining (SSMDP) to better capture the temporal dynamics of EEG signals and trained the architecture using a Denoising Diffusion Probabilistic Model. The resulting latent EEG representations were then used for downstream classification tasks via our proposed latent fusion transformer (LFT). To evaluate our method, we used the multi-event Temple University EEG Event Corpus and compared EEGDM with current state-of-the-art approaches, including EEG FMs. Empirical results showed that our method outperformed existing methods while being approximately 19x more lightweight. These findings suggested that EEGDM offered a promising alternative to current FMs. Our code is available at: https://github.com/jhpuah/EEGDM.

Generative Adversarial Networks (GANs) for text generation have recently received many criticisms, as they perform worse than their MLE counterparts. We suspect previous text GANs' inferior performance is due to the lack of a reliable guiding signal in their discriminators. To address this problem, we propose a generative adversarial imitation learning framework for text generation that uses large pre-trained language models to provide more reliable reward guidance. Our approach uses contrastive discriminator, and proximal policy optimization (PPO) to stabilize and improve text generation performance. For evaluation, we conduct experiments on a diverse set of unconditional and conditional text generation tasks. Experimental results show that TextGAIL achieves better performance in terms of both quality and diversity than the MLE baseline. We also validate our intuition that TextGAIL's discriminator demonstrates the capability of providing reasonable rewards with an additional task.

Text-to-image diffusion models are a class of deep generative models that have demonstrated an impressive capacity for high-quality image generation. However, these models are susceptible to implicit biases that arise from web-scale text-image training pairs and may inaccurately model aspects of images we care about. This can result in suboptimal samples, model bias, and images that do not align with human ethics and preferences. In this paper, we present an effective scalable algorithm to improve diffusion models using Reinforcement Learning (RL) across a diverse set of reward functions, such as human preference, compositionality, and fairness over millions of images. We illustrate how our approach substantially outperforms existing methods for aligning diffusion models with human preferences. We further illustrate how this substantially improves pretrained Stable Diffusion (SD) models, generating samples that are preferred by humans 80.3% of the time over those from the base SD model while simultaneously improving both the composition and diversity of generated samples.

Learning world models can teach an agent how the world works in an unsupervised manner. Even though it can be viewed as a special case of sequence modeling, progress for scaling world models on robotic applications such as autonomous driving has been somewhat less rapid than scaling language models with Generative Pre-trained Transformers (GPT). We identify two reasons as major bottlenecks: dealing with complex and unstructured observation space, and having a scalable generative model. Consequently, we propose a novel world modeling approach that first tokenizes sensor observations with VQVAE, then predicts the future via discrete diffusion. To efficiently decode and denoise tokens in parallel, we recast Masked Generative Image Transformer into the discrete diffusion framework with a few simple changes, resulting in notable improvement. When applied to learning world models on point cloud observations, our model reduces prior SOTA Chamfer distance by more than 65% for 1s prediction, and more than 50% for 3s prediction, across NuScenes, KITTI Odometry, and Argoverse2 datasets. Our results demonstrate that discrete diffusion on tokenized agent experience can unlock the power of GPT-like unsupervised learning for robotic agents.

Generative modeling, representation learning, and classification are three core problems in machine learning (ML), yet their state-of-the-art (SoTA) solutions remain largely disjoint. In this paper, we ask: Can a unified principle address all three? Such unification could simplify ML pipelines and foster greater synergy across tasks. We introduce Latent Zoning Network (LZN) as a step toward this goal. At its core, LZN creates a shared Gaussian latent space that encodes information across all tasks. Each data type (e.g., images, text, labels) is equipped with an encoder that maps samples to disjoint latent zones, and a decoder that maps latents back to data. ML tasks are expressed as compositions of these encoders and decoders: for example, label-conditional image generation uses a label encoder and image decoder; image embedding uses an image encoder; classification uses an image encoder and label decoder. We demonstrate the promise of LZN in three increasingly complex scenarios: (1) LZN can enhance existing models (image generation): When combined with the SoTA Rectified Flow model, LZN improves FID on CIFAR10 from 2.76 to 2.59-without modifying the training objective. (2) LZN can solve tasks independently (representation learning): LZN can implement unsupervised representation learning without auxiliary loss functions, outperforming the seminal MoCo and SimCLR methods by 9.3% and 0.2%, respectively, on downstream linear classification on ImageNet. (3) LZN can solve multiple tasks simultaneously (joint generation and classification): With image and label encoders/decoders, LZN performs both tasks jointly by design, improving FID and achieving SoTA classification accuracy on CIFAR10. The code and trained models are available at https://github.com/microsoft/latent-zoning-networks. The project website is at https://zinanlin.me/blogs/latent_zoning_networks.html.

Training energy-based models (EBMs) on high-dimensional data can be both challenging and time-consuming, and there exists a noticeable gap in sample quality between EBMs and other generative frameworks like GANs and diffusion models. To close this gap, inspired by the recent efforts of learning EBMs by maximizing diffusion recovery likelihood (DRL), we propose cooperative diffusion recovery likelihood (CDRL), an effective approach to tractably learn and sample from a series of EBMs defined on increasingly noisy versions of a dataset, paired with an initializer model for each EBM. At each noise level, the two models are jointly estimated within a cooperative training framework: samples from the initializer serve as starting points that are refined by a few MCMC sampling steps from the EBM. The EBM is then optimized by maximizing recovery likelihood, while the initializer model is optimized by learning from the difference between the refined samples and the initial samples. In addition, we made several practical designs for EBM training to further improve the sample quality. Combining these advances, our approach significantly boost the generation performance compared to existing EBM methods on CIFAR-10 and ImageNet datasets. We also demonstrate the effectiveness of our models for several downstream tasks, including classifier-free guided generation, compositional generation, image inpainting and out-of-distribution detection.

Diffusion models (DMs) have achieved state-of-the-art results for image synthesis tasks as well as density estimation. Applied in the latent space of a powerful pretrained autoencoder (LDM), their immense computational requirements can be significantly reduced without sacrificing sampling quality. However, DMs and LDMs lack a semantically meaningful representation space as the diffusion process gradually destroys information in the latent variables. We introduce a framework for learning such representations with diffusion models (LRDM). To that end, a LDM is conditioned on the representation extracted from the clean image by a separate encoder. In particular, the DM and the representation encoder are trained jointly in order to learn rich representations specific to the generative denoising process. By introducing a tractable representation prior, we can efficiently sample from the representation distribution for unconditional image synthesis without training of any additional model. We demonstrate that i) competitive image generation results can be achieved with image-parameterized LDMs, ii) LRDMs are capable of learning semantically meaningful representations, allowing for faithful image reconstructions and semantic interpolations. Our implementation is available at https://github.com/jeremiastraub/diffusion.

We present RoboGen, a generative robotic agent that automatically learns diverse robotic skills at scale via generative simulation. RoboGen leverages the latest advancements in foundation and generative models. Instead of directly using or adapting these models to produce policies or low-level actions, we advocate for a generative scheme, which uses these models to automatically generate diversified tasks, scenes, and training supervisions, thereby scaling up robotic skill learning with minimal human supervision. Our approach equips a robotic agent with a self-guided propose-generate-learn cycle: the agent first proposes interesting tasks and skills to develop, and then generates corresponding simulation environments by populating pertinent objects and assets with proper spatial configurations. Afterwards, the agent decomposes the proposed high-level task into sub-tasks, selects the optimal learning approach (reinforcement learning, motion planning, or trajectory optimization), generates required training supervision, and then learns policies to acquire the proposed skill. Our work attempts to extract the extensive and versatile knowledge embedded in large-scale models and transfer them to the field of robotics. Our fully generative pipeline can be queried repeatedly, producing an endless stream of skill demonstrations associated with diverse tasks and environments.

Blind face restoration aims to recover high-quality facial images from various unidentified sources of degradation, posing significant challenges due to the minimal information retrievable from the degraded images. Prior knowledge-based methods, leveraging geometric priors and facial features, have led to advancements in face restoration but often fall short of capturing fine details. To address this, we introduce a visual style prompt learning framework that utilizes diffusion probabilistic models to explicitly generate visual prompts within the latent space of pre-trained generative models. These prompts are designed to guide the restoration process. To fully utilize the visual prompts and enhance the extraction of informative and rich patterns, we introduce a style-modulated aggregation transformation layer. Extensive experiments and applications demonstrate the superiority of our method in achieving high-quality blind face restoration. The source code is available at https://github.com/LonglongaaaGo/VSPBFR{https://github.com/LonglongaaaGo/VSPBFR}.

Flow Matching has emerged as a powerful framework for learning continuous transformations between distributions, enabling high-fidelity generative modeling. This work introduces Symmetrical Flow Matching (SymmFlow), a new formulation that unifies semantic segmentation, classification, and image generation within a single model. Using a symmetric learning objective, SymmFlow models forward and reverse transformations jointly, ensuring bi-directional consistency, while preserving sufficient entropy for generative diversity. A new training objective is introduced to explicitly retain semantic information across flows, featuring efficient sampling while preserving semantic structure, allowing for one-step segmentation and classification without iterative refinement. Unlike previous approaches that impose strict one-to-one mapping between masks and images, SymmFlow generalizes to flexible conditioning, supporting both pixel-level and image-level class labels. Experimental results on various benchmarks demonstrate that SymmFlow achieves state-of-the-art performance on semantic image synthesis, obtaining FID scores of 11.9 on CelebAMask-HQ and 7.0 on COCO-Stuff with only 25 inference steps. Additionally, it delivers competitive results on semantic segmentation and shows promising capabilities in classification tasks. The code will be publicly available.

Despite the impressive text-to-image (T2I) synthesis capabilities of diffusion models, they often struggle to understand compositional relationships between objects and attributes, especially in complex settings. Existing solutions have tackled these challenges by optimizing the cross-attention mechanism or learning from the caption pairs with minimal semantic changes. However, can we generate high-quality complex contrastive images that diffusion models can directly discriminate based on visual representations? In this work, we leverage large-language models (LLMs) to compose realistic, complex scenarios and harness Visual-Question Answering (VQA) systems alongside diffusion models to automatically curate a contrastive dataset, ConPair, consisting of 15k pairs of high-quality contrastive images. These pairs feature minimal visual discrepancies and cover a wide range of attribute categories, especially complex and natural scenarios. To learn effectively from these error cases, i.e., hard negative images, we propose EvoGen, a new multi-stage curriculum for contrastive learning of diffusion models. Through extensive experiments across a wide range of compositional scenarios, we showcase the effectiveness of our proposed framework on compositional T2I benchmarks.

Latent diffusion models (LDMs) dominate high-quality image generation, yet integrating representation learning with generative modeling remains a challenge. We introduce a novel generative image modeling framework that seamlessly bridges this gap by leveraging a diffusion model to jointly model low-level image latents (from a variational autoencoder) and high-level semantic features (from a pretrained self-supervised encoder like DINO). Our latent-semantic diffusion approach learns to generate coherent image-feature pairs from pure noise, significantly enhancing both generative quality and training efficiency, all while requiring only minimal modifications to standard Diffusion Transformer architectures. By eliminating the need for complex distillation objectives, our unified design simplifies training and unlocks a powerful new inference strategy: Representation Guidance, which leverages learned semantics to steer and refine image generation. Evaluated in both conditional and unconditional settings, our method delivers substantial improvements in image quality and training convergence speed, establishing a new direction for representation-aware generative modeling.

The current advances in generative AI for learning large neural network models with the capability to produce essays, images, music and even 3D assets from text prompts create opportunities for a manifold of disciplines. In the present paper, we study the potential of deep text-to-3D models in the engineering domain, with focus on the chances and challenges when integrating and interacting with 3D assets in computational simulation-based design optimization. In contrast to traditional design optimization of 3D geometries that often searches for the optimum designs using numerical representations, such as B-Spline surface or deformation parameters in vehicle aerodynamic optimization, natural language challenges the optimization framework by requiring a different interpretation of variation operators while at the same time may ease and motivate the human user interaction. Here, we propose and realize a fully automated evolutionary design optimization framework using Shap-E, a recently published text-to-3D asset network by OpenAI, in the context of aerodynamic vehicle optimization. For representing text prompts in the evolutionary optimization, we evaluate (a) a bag-of-words approach based on prompt templates and Wordnet samples, and (b) a tokenisation approach based on prompt templates and the byte pair encoding method from GPT4. Our main findings from the optimizations indicate that, first, it is important to ensure that the designs generated from prompts are within the object class of application, i.e. diverse and novel designs need to be realistic, and, second, that more research is required to develop methods where the strength of text prompt variations and the resulting variations of the 3D designs share causal relations to some degree to improve the optimization.

Weakly supervised object localization (WSOL) remains challenging when learning object localization models from image category labels. Conventional methods that discriminatively train activation models ignore representative yet less discriminative object parts. In this study, we propose a generative prompt model (GenPromp), defining the first generative pipeline to localize less discriminative object parts by formulating WSOL as a conditional image denoising procedure. During training, GenPromp converts image category labels to learnable prompt embeddings which are fed to a generative model to conditionally recover the input image with noise and learn representative embeddings. During inference, enPromp combines the representative embeddings with discriminative embeddings (queried from an off-the-shelf vision-language model) for both representative and discriminative capacity. The combined embeddings are finally used to generate multi-scale high-quality attention maps, which facilitate localizing full object extent. Experiments on CUB-200-2011 and ILSVRC show that GenPromp respectively outperforms the best discriminative models by 5.2% and 5.6% (Top-1 Loc), setting a solid baseline for WSOL with the generative model. Code is available at https://github.com/callsys/GenPromp.

Probabilistic diffusion models have achieved state-of-the-art results for image synthesis, inpainting, and text-to-image tasks. However, they are still in the early stages of generating complex 3D shapes. This work proposes Diffusion-SDF, a generative model for shape completion, single-view reconstruction, and reconstruction of real-scanned point clouds. We use neural signed distance functions (SDFs) as our 3D representation to parameterize the geometry of various signals (e.g., point clouds, 2D images) through neural networks. Neural SDFs are implicit functions and diffusing them amounts to learning the reversal of their neural network weights, which we solve using a custom modulation module. Extensive experiments show that our method is capable of both realistic unconditional generation and conditional generation from partial inputs. This work expands the domain of diffusion models from learning 2D, explicit representations, to 3D, implicit representations.