Daily Papers

The success of large language models in text processing has inspired their adaptation to speech modeling. However, since speech is continuous and complex, it is often discretized for autoregressive modeling. Speech tokens derived from self-supervised models (known as semantic tokens) typically focus on the linguistic aspects of speech but neglect prosodic information. As a result, models trained on these tokens can generate speech with reduced naturalness. Existing approaches try to fix this by adding pitch features to the semantic tokens. However, pitch alone cannot fully represent the range of paralinguistic attributes, and selecting the right features requires careful hand-engineering. To overcome this, we propose an end-to-end variational approach that automatically learns to encode these continuous speech attributes to enhance the semantic tokens. Our approach eliminates the need for manual extraction and selection of paralinguistic features. Moreover, it produces preferred speech continuations according to human raters. Code, samples and models are available at https://github.com/b04901014/vae-gslm.

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

This paper proposes a new two-step procedure for sparse-view tomographic image reconstruction. It is called RISING, since it combines an early-stopped Rapid Iterative Solver with a subsequent Iteration Network-based Gaining step. So far, regularized iterative methods have widely been used for X-ray computed tomography image reconstruction from low-sampled data, since they converge to a sparse solution in a suitable domain, as upheld by the Compressed Sensing theory. Unfortunately, their use is practically limited by their high computational cost which imposes to perform only a few iterations in the available time for clinical exams. Data-driven methods, using neural networks to post-process a coarse and noisy image obtained from geometrical algorithms, have been recently studied and appreciated for both their computational speed and accurate reconstructions. However, there is no evidence, neither theoretically nor numerically, that neural networks based algorithms solve the mathematical inverse problem modeling the tomographic reconstruction process. In our two-step approach, the first phase executes very few iterations of a regularized model-based algorithm whereas the second step completes the missing iterations by means of a neural network. The resulting hybrid deep-variational framework preserves the convergence properties of the iterative method and, at the same time, it exploits the computational speed and flexibility of a data-driven approach. Experiments performed on a simulated and a real data set confirm the numerical and visual accuracy of the reconstructed RISING images in short computational times.

Score distillation sampling (SDS) has shown great promise in text-to-3D generation by distilling pretrained large-scale text-to-image diffusion models, but suffers from over-saturation, over-smoothing, and low-diversity problems. In this work, we propose to model the 3D parameter as a random variable instead of a constant as in SDS and present variational score distillation (VSD), a principled particle-based variational framework to explain and address the aforementioned issues in text-to-3D generation. We show that SDS is a special case of VSD and leads to poor samples with both small and large CFG weights. In comparison, VSD works well with various CFG weights as ancestral sampling from diffusion models and simultaneously improves the diversity and sample quality with a common CFG weight (i.e., 7.5). We further present various improvements in the design space for text-to-3D such as distillation time schedule and density initialization, which are orthogonal to the distillation algorithm yet not well explored. Our overall approach, dubbed ProlificDreamer, can generate high rendering resolution (i.e., 512times512) and high-fidelity NeRF with rich structure and complex effects (e.g., smoke and drops). Further, initialized from NeRF, meshes fine-tuned by VSD are meticulously detailed and photo-realistic. Project page: https://ml.cs.tsinghua.edu.cn/prolificdreamer/

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

Jointly identifying a mixture of discrete and continuous factors of variability without supervision is a key problem in unraveling complex phenomena. Variational inference has emerged as a promising method to learn interpretable mixture representations. However, posterior approximation in high-dimensional latent spaces, particularly for discrete factors remains challenging. Here, we propose an unsupervised variational framework using multiple interacting networks called cpl-mixVAE that scales well to high-dimensional discrete settings. In this framework, the mixture representation of each network is regularized by imposing a consensus constraint on the discrete factor. We justify the use of this framework by providing both theoretical and experimental results. Finally, we use the proposed method to jointly uncover discrete and continuous factors of variability describing gene expression in a single-cell transcriptomic dataset profiling more than a hundred cortical neuron types.

Score distillation sampling has been pivotal for integrating diffusion models into generation of complex visuals. Despite impressive results it suffers from mode collapse and lack of diversity. To cope with this challenge, we leverage the gradient flow interpretation of score distillation to propose Repulsive Score Distillation (RSD). In particular, we propose a variational framework based on repulsion of an ensemble of particles that promotes diversity. Using a variational approximation that incorporates a coupling among particles, the repulsion appears as a simple regularization that allows interaction of particles based on their relative pairwise similarity, measured e.g., via radial basis kernels. We design RSD for both unconstrained and constrained sampling scenarios. For constrained sampling we focus on inverse problems in the latent space that leads to an augmented variational formulation, that strikes a good balance between compute, quality and diversity. Our extensive experiments for text-to-image generation, and inverse problems demonstrate that RSD achieves a superior trade-off between diversity and quality compared with state-of-the-art alternatives.

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

In this paper, we propose the MultiLevel Variational MultiScale (ML-VMS) method, a novel approach that seamlessly integrates a multilevel mesh strategy into the Variational Multiscale (VMS) framework. A key feature of the ML-VMS method is the use of the Convolutional Hierarchical Deep Neural Network (C-HiDeNN) as the approximation basis. The framework employs a coarse mesh throughout the domain, with localized fine meshes placed only in subdomains of high interest, such as those surrounding a source. Solutions at different resolutions are robustly coupled through the variational weak form and interface conditions. Compared to existing multilevel methods, ML-VMS (1) can couple an arbitrary number of mesh levels across different scales using variational multiscale framework; (2) allows approximating functions with arbitrary orders with linear finite element mesh due to the C-HiDeNN basis; (3) is supported by a rigorous theoretical error analysis; (4) features several tunable hyperparameters (e.g., order p, patch size s) with a systematic guide for their selection. We first show the theoretical error estimates of ML-VMS. Then through numerical examples, we demonstrate that ML-VMS with the C-HiDeNN takes less computational time than the FEM basis given comparable accuracy. Furthermore, we incorporate a space-time reduced-order model (ROM) based on C-HiDeNN-Tensor Decomposition (TD) into the ML-VMS framework. For a large-scale single-track laser powder bed fusion (LPBF) transient heat transfer problem that is equivalent to a full-order finite element model with 10^{10} spatial degrees of freedom (DoFs), our 3-level ML-VMS C-HiDeNN-TD achieves an approximately 5,000x speedup on a single CPU over a single-level linear FEM-TD ROM.

We introduce a variational reasoning framework for language models that treats thinking traces as latent variables and optimizes them through variational inference. Starting from the evidence lower bound (ELBO), we extend it to a multi-trace objective for tighter bounds and propose a forward-KL formulation that stabilizes the training of the variational posterior. We further show that rejection sampling finetuning and binary-reward RL, including GRPO, can be interpreted as local forward-KL objectives, where an implicit weighting by model accuracy naturally arises from the derivation and reveals a previously unnoticed bias toward easier questions. We empirically validate our method on the Qwen 2.5 and Qwen 3 model families across a wide range of reasoning tasks. Overall, our work provides a principled probabilistic perspective that unifies variational inference with RL-style methods and yields stable objectives for improving the reasoning ability of language models. Our code is available at https://github.com/sail-sg/variational-reasoning.

Relying on the representation power of neural networks, most recent works have often neglected several factors involved in haze degradation, such as transmission (the amount of light reaching an observer from a scene over distance) and atmospheric light. These factors are generally unknown, making dehazing problems ill-posed and creating inherent uncertainties. To account for such uncertainties and factors involved in haze degradation, we introduce a variational Bayesian framework for single image dehazing. We propose to take not only a clean image and but also transmission map as latent variables, the posterior distributions of which are parameterized by corresponding neural networks: dehazing and transmission networks, respectively. Based on a physical model for haze degradation, our variational Bayesian framework leads to a new objective function that encourages the cooperation between them, facilitating the joint training of and thereby boosting the performance of each other. In our framework, a dehazing network can estimate a clean image independently of a transmission map estimation during inference, introducing no overhead. Furthermore, our model-agnostic framework can be seamlessly incorporated with other existing dehazing networks, greatly enhancing the performance consistently across datasets and models.

Accurate crop yield forecasting is essential for global food security. However, current AI models systematically underperform when yields deviate from historical trends. We attribute this to the lack of rich, physically grounded datasets directly linking atmospheric states to yields. To address this, we introduce VITA (Variational Inference Transformer for Asymmetric data), a variational pretraining framework that learns representations from large satellite-based weather datasets and transfers to the ground-based limited measurements available for yield prediction. VITA is trained using detailed meteorological variables as proxy targets during pretraining and learns to predict latent atmospheric states under a seasonality-aware sinusoidal prior. This allows the model to be fine-tuned using limited weather statistics during deployment. Applied to 763 counties in the U.S. Corn Belt, VITA achieves state-of-the-art performance in predicting corn and soybean yields across all evaluation scenarios, particularly during extreme years, with statistically significant improvements (paired t-test, p < 0.0001). Importantly, VITA outperforms prior frameworks like GNN-RNN without soil data, and bigger foundational models (e.g., Chronos-Bolt) with less compute, making it practical for real-world use--especially in data-scarce regions. This work highlights how domain-aware AI design can overcome data limitations and support resilient agricultural forecasting in a changing climate.

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

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

This paper studies learning on text-attributed graphs (TAGs), where each node is associated with a text description. An ideal solution for such a problem would be integrating both the text and graph structure information with large language models and graph neural networks (GNNs). However, the problem becomes very challenging when graphs are large due to the high computational complexity brought by training large language models and GNNs together. In this paper, we propose an efficient and effective solution to learning on large text-attributed graphs by fusing graph structure and language learning with a variational Expectation-Maximization (EM) framework, called GLEM. Instead of simultaneously training large language models and GNNs on big graphs, GLEM proposes to alternatively update the two modules in the E-step and M-step. Such a procedure allows training the two modules separately while simultaneously allowing the two modules to interact and mutually enhance each other. Extensive experiments on multiple data sets demonstrate the efficiency and effectiveness of the proposed approach.

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

Alignment with high-resource standard languages is often assumed to aid the modeling of related low-resource varieties. We challenge this assumption by demonstrating that excessive representational entanglement with a dominant variety, such as Modern Standard Arabic (MSA) in relation to Arabic dialects, can actively hinder generative modeling. We present the first comprehensive causal study of this phenomenon by analyzing and directly intervening in the internal representation geometry of large language models (LLMs). Our key contribution is an online variational probing framework that continuously estimates the subspace of the standard variety during fine-tuning, enabling projection-based decoupling from this space. While our study uses Arabic as a case due to its unusually rich parallel resources across 25 dialects, the broader motivation is methodological: dialectal MT serves as a controlled proxy for generative tasks where comparable multi-variety corpora are unavailable. Across 25 dialects, our intervention improves generation quality by up to +4.9 chrF++ and +2.0 on average compared to standard fine-tuning, despite a measured tradeoff in standard-language performance. These results provide causal evidence that subspace dominance by high-resource varieties can restrict generative capacity for related varieties. More generally, we unify geometric and information-theoretic probing with subspace-level causal interventions, offering practical tools for improving generative modeling in closely related language families and, more broadly, for controlling representational allocation in multilingual and multi-domain LLMs. Code will be released.

We propose a novel family of language models, Latent-Thought Language Models (LTMs), which incorporate explicit latent thought vectors that follow an explicit prior model in latent space. These latent thought vectors guide the autoregressive generation of ground tokens through a Transformer decoder. Training employs a dual-rate optimization process within the classical variational Bayes framework: fast learning of local variational parameters for the posterior distribution of latent vectors, and slow learning of global decoder parameters. Empirical studies reveal that LTMs possess additional scaling dimensions beyond traditional LLMs, yielding a structured design space. Higher sample efficiency can be achieved by increasing training compute per token, with further gains possible by trading model size for more inference steps. Designed based on these scaling properties, LTMs demonstrate superior sample and parameter efficiency compared to conventional autoregressive models and discrete diffusion models. They significantly outperform these counterparts in validation perplexity and zero-shot language modeling. Additionally, LTMs exhibit emergent few-shot in-context reasoning capabilities that scale with model and latent size, and achieve competitive performance in conditional and unconditional text generation.

Recent advances in large language model-powered multi-agent systems have demonstrated remarkable collective intelligence through effective communication. However, existing approaches face two primary challenges: (i) Ineffective group collaboration modeling, as they rely on pairwise edge representations in graph structures, limiting their ability to capture relationships among multiple agents; and (ii) Limited task-adaptiveness in communication topology design, leading to excessive communication cost for simple tasks and insufficient coordination for complex scenarios. These issues restrict the scalability and practical deployment of adaptive collaboration frameworks. To address these challenges, we propose HyperAgent, a hypergraph-based framework that optimizes communication topologies and effectively captures group collaboration patterns using direct hyperedge representations. Unlike edge-based approaches, HyperAgent uses hyperedges to link multiple agents within the same subtask and employs hypergraph convolutional layers to achieve one-step information aggregation in collaboration groups. Additionally, it incorporates a variational autoencoder framework with sparsity regularization to dynamically adjust hypergraph topologies based on task complexity. Experiments highlight the superiority of HyperAgent in both performance and efficiency. For instance, on GSM8K, HyperAgent achieves 95.07\% accuracy while reducing token consumption by 25.33\%, demonstrating the potential of hypergraph-based optimization for multi-agent communication.

Out-of-distribution (OOD) detection holds significant importance across many applications. While semantic and domain-shift OOD problems are well-studied, this work focuses on covariate shifts - subtle variations in the data distribution that can degrade machine learning performance. We hypothesize that detecting these subtle shifts can improve our understanding of in-distribution boundaries, ultimately improving OOD detection. In adversarial discriminators trained with Batch Normalization (BN), real and adversarial samples form distinct domains with unique batch statistics - a property we exploit for OOD detection. We introduce DisCoPatch, an unsupervised Adversarial Variational Autoencoder (VAE) framework that harnesses this mechanism. During inference, batches consist of patches from the same image, ensuring a consistent data distribution that allows the model to rely on batch statistics. DisCoPatch uses the VAE's suboptimal outputs (generated and reconstructed) as negative samples to train the discriminator, thereby improving its ability to delineate the boundary between in-distribution samples and covariate shifts. By tightening this boundary, DisCoPatch achieves state-of-the-art results in public OOD detection benchmarks. The proposed model not only excels in detecting covariate shifts, achieving 95.5% AUROC on ImageNet-1K(-C) but also outperforms all prior methods on public Near-OOD (95.0%) benchmarks. With a compact model size of 25MB, it achieves high OOD detection performance at notably lower latency than existing methods, making it an efficient and practical solution for real-world OOD detection applications. The code is publicly available.

Latent generative models have shown remarkable progress in high-fidelity image synthesis, typically using a two-stage training process that involves compressing images into latent embeddings via learned tokenizers in the first stage. The quality of generation strongly depends on how expressive and well-optimized these latent embeddings are. While various methods have been proposed to learn effective latent representations, generated images often lack realism, particularly in textured regions with sharp transitions, due to loss of fine details governed by high frequencies. We conduct a detailed frequency decomposition of existing state-of-the-art (SOTA) latent tokenizers and show that conventional objectives inherently prioritize low-frequency reconstruction, often at the expense of high-frequency fidelity. Our analysis reveals these latent tokenizers exhibit a bias toward low-frequency information during optimization, leading to over-smoothed outputs and visual artifacts that diminish perceptual quality. To address this, we propose a wavelet-based, frequency-aware variational autoencoder (FA-VAE) framework that explicitly decouples the optimization of low- and high-frequency components. This decoupling enables improved reconstruction of fine textures while preserving global structure. Moreover, we integrate our frequency-preserving latent embeddings into a SOTA latent diffusion model, resulting in sharper and more realistic image generation. Our approach bridges the fidelity gap in current latent tokenizers and emphasizes the importance of frequency-aware optimization for realistic image synthesis, with broader implications for applications in content creation, neural rendering, and medical imaging.

Flowchart-grounded troubleshooting dialogue (FTD) systems, which follow the instructions of a flowchart to diagnose users' problems in specific domains (e.g., vehicle, laptop), have been gaining research interest in recent years. However, collecting sufficient dialogues that are naturally grounded on flowcharts is costly, thus FTD systems are impeded by scarce training data. To mitigate the data sparsity issue, we propose a plan-based synthetic data generation (PlanSDG) approach that generates diverse synthetic dialog data at scale by transforming concise flowchart into dialogues. Specifically, its generative model employs a variational-base framework with a hierarchical planning strategy that includes global and local latent planning variables. Experiments on the FloDial dataset show that synthetic dialogue produced by PlanSDG improves the performance of downstream tasks, including flowchart path retrieval and response generation, in particular on the Out-of-Flowchart settings. In addition, further analysis demonstrate the quality of synthetic data generated by PlanSDG in paths that are covered by current sample dialogues and paths that are not covered.

Structured belief states are crucial for user goal tracking and database query in task-oriented dialog systems. However, training belief trackers often requires expensive turn-level annotations of every user utterance. In this paper we aim at alleviating the reliance on belief state labels in building end-to-end dialog systems, by leveraging unlabeled dialog data towards semi-supervised learning. We propose a probabilistic dialog model, called the LAtent BElief State (LABES) model, where belief states are represented as discrete latent variables and jointly modeled with system responses given user inputs. Such latent variable modeling enables us to develop semi-supervised learning under the principled variational learning framework. Furthermore, we introduce LABES-S2S, which is a copy-augmented Seq2Seq model instantiation of LABES. In supervised experiments, LABES-S2S obtains strong results on three benchmark datasets of different scales. In utilizing unlabeled dialog data, semi-supervised LABES-S2S significantly outperforms both supervised-only and semi-supervised baselines. Remarkably, we can reduce the annotation demands to 50% without performance loss on MultiWOZ.

Humans intuitively perceive object shape and orientation from a single image, guided by strong priors about canonical poses. However, existing 3D generative models often produce misaligned results due to inconsistent training data, limiting their usability in downstream tasks. To address this gap, we introduce the task of orientation-aligned 3D object generation: producing 3D objects from single images with consistent orientations across categories. To facilitate this, we construct Objaverse-OA, a dataset of 14,832 orientation-aligned 3D models spanning 1,008 categories. Leveraging Objaverse-OA, we fine-tune two representative 3D generative models based on multi-view diffusion and 3D variational autoencoder frameworks to produce aligned objects that generalize well to unseen objects across various categories. Experimental results demonstrate the superiority of our method over post-hoc alignment approaches. Furthermore, we showcase downstream applications enabled by our aligned object generation, including zero-shot object orientation estimation via analysis-by-synthesis and efficient arrow-based object rotation manipulation.

In the domain of medical imaging, many supervised learning based methods for segmentation face several challenges such as high variability in annotations from multiple experts, paucity of labelled data and class imbalanced datasets. These issues may result in segmentations that lack the requisite precision for clinical analysis and can be misleadingly overconfident without associated uncertainty quantification. We propose the PULASki for biomedical image segmentation that accurately captures variability in expert annotations, even in small datasets. Our approach makes use of an improved loss function based on statistical distances in a conditional variational autoencoder structure (Probabilistic UNet), which improves learning of the conditional decoder compared to the standard cross-entropy particularly in class imbalanced problems. We analyse our method for two structurally different segmentation tasks (intracranial vessel and multiple sclerosis (MS) lesion) and compare our results to four well-established baselines in terms of quantitative metrics and qualitative output. Empirical results demonstrate the PULASKi method outperforms all baselines at the 5\% significance level. The generated segmentations are shown to be much more anatomically plausible than in the 2D case, particularly for the vessel task. Our method can also be applied to a wide range of multi-label segmentation tasks and and is useful for downstream tasks such as hemodynamic modelling (computational fluid dynamics and data assimilation), clinical decision making, and treatment planning.

We develop a deep variational free energy framework to compute the equation of state of hydrogen in the warm dense matter region. This method parameterizes the variational density matrix of hydrogen nuclei and electrons at finite temperature using three deep generative models: a normalizing flow model that represents the Boltzmann distribution of the classical nuclei, an autoregressive transformer that models the distribution of electrons in excited states, and a permutational equivariant flow model that constructs backflow coordinates for electrons in Hartree-Fock orbitals. By jointly optimizing the three neural networks to minimize the variational free energy, we obtain the equation of state and related thermodynamic properties of dense hydrogen. We compare our results with other theoretical and experimental results on the deuterium Hugoniot curve, aiming to resolve existing discrepancies. The calculated results provide a valuable benchmark for deuterium in the warm dense matter region.

Deep learning techniques have dominated the literature on aspect-based sentiment analysis (ABSA), yielding state-of-the-art results. However, these deep models generally suffer from spurious correlation problems between input features and output labels, which creates significant barriers to robustness and generalization capability. In this paper, we propose a novel Contrastive Variational Information Bottleneck framework (called CVIB) to reduce spurious correlations for ABSA. The proposed CVIB framework is composed of an original network and a self-pruned network, and these two networks are optimized simultaneously via contrastive learning. Concretely, we employ the Variational Information Bottleneck (VIB) principle to learn an informative and compressed network (self-pruned network) from the original network, which discards the superfluous patterns or spurious correlations between input features and prediction labels. Then, self-pruning contrastive learning is devised to pull together semantically similar positive pairs and push away dissimilar pairs, where the representations of the anchor learned by the original and self-pruned networks respectively are regarded as a positive pair while the representations of two different sentences within a mini-batch are treated as a negative pair. To verify the effectiveness of our CVIB method, we conduct extensive experiments on five benchmark ABSA datasets and the experimental results show that our approach achieves better performance than the strong competitors in terms of overall prediction performance, robustness, and generalization.

Video face restoration faces a critical challenge in maintaining temporal consistency while recovering fine facial details from degraded inputs. This paper presents a novel approach that extends Vector-Quantized Variational Autoencoders (VQ-VAEs), pretrained on static high-quality portraits, into a video restoration framework through variational latent space modeling. Our key innovation lies in reformulating discrete codebook representations as Dirichlet-distributed continuous variables, enabling probabilistic transitions between facial features across frames. A spatio-temporal Transformer architecture jointly models inter-frame dependencies and predicts latent distributions, while a Laplacian-constrained reconstruction loss combined with perceptual (LPIPS) regularization enhances both pixel accuracy and visual quality. Comprehensive evaluations on blind face restoration, video inpainting, and facial colorization tasks demonstrate state-of-the-art performance. This work establishes an effective paradigm for adapting intensive image priors, pretrained on high-quality images, to video restoration while addressing the critical challenge of flicker artifacts. The source code has been open-sourced and is available at https://github.com/fudan-generative-vision/DicFace.

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

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

Vision transformers (ViTs) have emerged as a significant area of focus, particularly for their capacity to be jointly trained with large language models and to serve as robust vision foundation models. Yet, the development of trustworthy explanation methods for ViTs has lagged, particularly in the context of post-hoc interpretations of ViT predictions. Existing sub-image selection approaches, such as feature-attribution and conceptual models, fall short in this regard. This paper proposes five desiderata for explaining ViTs -- faithfulness, stability, sparsity, multi-level structure, and parsimony -- and demonstrates the inadequacy of current methods in meeting these criteria comprehensively. We introduce a variational Bayesian explanation framework, dubbed ProbAbilistic Concept Explainers (PACE), which models the distributions of patch embeddings to provide trustworthy post-hoc conceptual explanations. Our qualitative analysis reveals the distributions of patch-level concepts, elucidating the effectiveness of ViTs by modeling the joint distribution of patch embeddings and ViT's predictions. Moreover, these patch-level explanations bridge the gap between image-level and dataset-level explanations, thus completing the multi-level structure of PACE. Through extensive experiments on both synthetic and real-world datasets, we demonstrate that PACE surpasses state-of-the-art methods in terms of the defined desiderata.

Statistical shape modeling (SSM) enables population-based quantitative analysis of anatomical shapes, informing clinical diagnosis. Deep learning approaches predict correspondence-based SSM directly from unsegmented 3D images but require calibrated uncertainty quantification, motivating Bayesian formulations. Variational information bottleneck DeepSSM (VIB-DeepSSM) is an effective, principled framework for predicting probabilistic shapes of anatomy from images with aleatoric uncertainty quantification. However, VIB is only half-Bayesian and lacks epistemic uncertainty inference. We derive a fully Bayesian VIB formulation and demonstrate the efficacy of two scalable implementation approaches: concrete dropout and batch ensemble. Additionally, we introduce a novel combination of the two that further enhances uncertainty calibration via multimodal marginalization. Experiments on synthetic shapes and left atrium data demonstrate that the fully Bayesian VIB network predicts SSM from images with improved uncertainty reasoning without sacrificing accuracy.

Autoregressive models have demonstrated remarkable success across various fields, from large language models (LLMs) to large multimodal models (LMMs) and 2D content generation, moving closer to artificial general intelligence (AGI). Despite these advances, applying autoregressive approaches to 3D object generation and understanding remains largely unexplored. This paper introduces Scale AutoRegressive 3D (SAR3D), a novel framework that leverages a multi-scale 3D vector-quantized variational autoencoder (VQVAE) to tokenize 3D objects for efficient autoregressive generation and detailed understanding. By predicting the next scale in a multi-scale latent representation instead of the next single token, SAR3D reduces generation time significantly, achieving fast 3D object generation in just 0.82 seconds on an A6000 GPU. Additionally, given the tokens enriched with hierarchical 3D-aware information, we finetune a pretrained LLM on them, enabling multimodal comprehension of 3D content. Our experiments show that SAR3D surpasses current 3D generation methods in both speed and quality and allows LLMs to interpret and caption 3D models comprehensively.

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

In motion generation, controllability as well as generation quality and speed is becoming more and more important. There are various motion editing tasks, such as in-betweening, upper body editing, and path-following, but existing methods perform motion editing with a data-space diffusion model, which is slow in inference compared to a latent diffusion model. In this paper, we propose MoLA, which provides fast and high-quality motion generation and also can deal with multiple editing tasks in a single framework. For high-quality and fast generation, we employ a variational autoencoder and latent diffusion model, and improve the performance with adversarial training. In addition, we apply a training-free guided generation framework to achieve various editing tasks with motion control inputs. We quantitatively show the effectiveness of adversarial learning in text-to-motion generation, and demonstrate the applicability of our editing framework to multiple editing tasks in the motion domain.

Diffusion models may be viewed as hierarchical variational autoencoders (VAEs) with two improvements: parameter sharing for the conditional distributions in the generative process and efficient computation of the loss as independent terms over the hierarchy. We consider two changes to the diffusion model that retain these advantages while adding flexibility to the model. Firstly, we introduce a data- and depth-dependent mean function in the diffusion process, which leads to a modified diffusion loss. Our proposed framework, DiffEnc, achieves a statistically significant improvement in likelihood on CIFAR-10. Secondly, we let the ratio of the noise variance of the reverse encoder process and the generative process be a free weight parameter rather than being fixed to 1. This leads to theoretical insights: For a finite depth hierarchy, the evidence lower bound (ELBO) can be used as an objective for a weighted diffusion loss approach and for optimizing the noise schedule specifically for inference. For the infinite-depth hierarchy, on the other hand, the weight parameter has to be 1 to have a well-defined ELBO.

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

Federated learning has emerged as a viable distributed solution to train machine learning models without the actual need to share data with the central aggregator. However, standard neural network-based federated learning models have been shown to be susceptible to data leakage from the gradients shared with the server. In this work, we introduce federated learning with variational quantum circuit model built using expressive encoding maps coupled with overparameterized ans\"atze. We show that expressive maps lead to inherent privacy against gradient inversion attacks, while overparameterization ensures model trainability. Our privacy framework centers on the complexity of solving the system of high-degree multivariate Chebyshev polynomials generated by the gradients of quantum circuit. We present compelling arguments highlighting the inherent difficulty in solving these equations, both in exact and approximate scenarios. Additionally, we delve into machine learning-based attack strategies and establish a direct connection between overparameterization in the original federated learning model and underparameterization in the attack model. Furthermore, we provide numerical scaling arguments showcasing that underparameterization of the expressive map in the attack model leads to the loss landscape being swamped with exponentially many spurious local minima points, thus making it extremely hard to realize a successful attack. This provides a strong claim, for the first time, that the nature of quantum machine learning models inherently helps prevent data leakage in federated learning.

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

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

Connecting optimal transport and variational inference, we present a principled and systematic framework for sampling and generative modelling centred around divergences on path space. Our work culminates in the development of the Controlled Monte Carlo Diffusion sampler (CMCD) for Bayesian computation, a score-based annealing technique that crucially adapts both forward and backward dynamics in a diffusion model. On the way, we clarify the relationship between the EM-algorithm and iterative proportional fitting (IPF) for Schr{\"o}dinger bridges, deriving as well a regularised objective that bypasses the iterative bottleneck of standard IPF-updates. Finally, we show that CMCD has a strong foundation in the Jarzinsky and Crooks identities from statistical physics, and that it convincingly outperforms competing approaches across a wide array of experiments.

Retrieval-augmented models have proven to be effective in natural language processing tasks, yet there remains a lack of research on their optimization using variational inference. We introduce the Variational Open-Domain (VOD) framework for end-to-end training and evaluation of retrieval-augmented models, focusing on open-domain question answering and language modelling. The VOD objective, a self-normalized estimate of the R\'enyi variational bound, approximates the task marginal likelihood and is evaluated under samples drawn from an auxiliary sampling distribution (cached retriever and/or approximate posterior). It remains tractable, even for retriever distributions defined on large corpora. We demonstrate VOD's versatility by training reader-retriever BERT-sized models on multiple-choice medical exam questions. On the MedMCQA dataset, we outperform the domain-tuned Med-PaLM by +5.3% despite using 2.500times fewer parameters. Our retrieval-augmented BioLinkBERT model scored 62.9% on the MedMCQA and 55.0% on the MedQA-USMLE. Last, we show the effectiveness of our learned retriever component in the context of medical semantic search.

The current paradigm of large-scale pre-training and fine-tuning Transformer large language models has lead to significant improvements across the board in natural language processing. However, such large models are susceptible to overfitting to their training data, and as a result the models perform poorly when the domain changes. Also, due to the model's scale, the cost of fine-tuning the model to the new domain is large. Nonparametric Variational Information Bottleneck (NVIB) has been proposed as a regulariser for training cross-attention in Transformers, potentially addressing the overfitting problem. We extend the NVIB framework to replace all types of attention functions in Transformers, and show that existing pretrained Transformers can be reinterpreted as Nonparametric Variational (NV) models using a proposed identity initialisation. We then show that changing the initialisation introduces a novel, information-theoretic post-training regularisation in the attention mechanism, which improves out-of-domain generalisation without any training. This success supports the hypothesis that pretrained Transformers are implicitly NV Bayesian models.

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

Masked diffusion models have recently emerged as a flexible framework for discrete generative modeling. However, a key limitation of standard masked diffusion is its inability to effectively capture dependencies among tokens that are predicted concurrently, leading to degraded generation quality when dependencies among tokens are important. To explicitly model dependencies among tokens, we propose Variational Masked Diffusion (VMD), a framework that introduces latent variables into the masked diffusion process. Through controlled experiments on synthetic datasets, we demonstrate that VMD successfully learns dependencies that conventional masked diffusion fails to capture. We further validate the effectiveness of our approach on Sudoku puzzles and text datasets, where learning of dependencies among tokens improves global consistency. Across these domains, VMD enhances both generation quality and dependency awareness, highlighting the value of integrating variational inference into masked diffusion. Our code is available at: https://riccizz.github.io/VMD.

In recent years, there has been a growing emphasis on compressing large pre-trained transformer models for resource-constrained devices. However, traditional pruning methods often leave the embedding layer untouched, leading to model over-parameterization. Additionally, they require extensive compression time with large datasets to maintain performance in pruned models. To address these challenges, we propose VTrans, an iterative pruning framework guided by the Variational Information Bottleneck (VIB) principle. Our method compresses all structural components, including embeddings, attention heads, and layers using VIB-trained masks. This approach retains only essential weights in each layer, ensuring compliance with specified model size or computational constraints. Notably, our method achieves upto 70% more compression than prior state-of-the-art approaches, both task-agnostic and task-specific. We further propose faster variants of our method: Fast-VTrans utilizing only 3% of the data and Faster-VTrans, a time efficient alternative that involves exclusive finetuning of VIB masks, accelerating compression by upto 25 times with minimal performance loss compared to previous methods. Extensive experiments on BERT, ROBERTa, and GPT-2 models substantiate the efficacy of our method. Moreover, our method demonstrates scalability in compressing large models such as LLaMA-2-7B, achieving superior performance compared to previous pruning methods. Additionally, we use attention-based probing to qualitatively assess model redundancy and interpret the efficiency of our approach. Notably, our method considers heads with high attention to special and current tokens in un-pruned model as foremost candidates for pruning while retained heads are observed to attend more to task-critical keywords.

In the emergent realm of quantum computing, the Variational Quantum Eigensolver (VQE) stands out as a promising algorithm for solving complex quantum problems, especially in the noisy intermediate-scale quantum (NISQ) era. However, the ubiquitous presence of noise in quantum devices often limits the accuracy and reliability of VQE outcomes. This research introduces a novel approach to ameliorate this challenge by utilizing neural networks for zero noise extrapolation (ZNE) in VQE computations. By employing the Qiskit framework, we crafted parameterized quantum circuits using the RY-RZ ansatz and examined their behavior under varying levels of depolarizing noise. Our investigations spanned from determining the expectation values of a Hamiltonian, defined as a tensor product of Z operators, under different noise intensities to extracting the ground state energy. To bridge the observed outcomes under noise with the ideal noise-free scenario, we trained a Feed Forward Neural Network on the error probabilities and their associated expectation values. Remarkably, our model proficiently predicted the VQE outcome under hypothetical noise-free conditions. By juxtaposing the simulation results with real quantum device executions, we unveiled the discrepancies induced by noise and showcased the efficacy of our neural network-based ZNE technique in rectifying them. This integrative approach not only paves the way for enhanced accuracy in VQE computations on NISQ devices but also underlines the immense potential of hybrid quantum-classical paradigms in circumventing the challenges posed by quantum noise. Through this research, we envision a future where quantum algorithms can be reliably executed on noisy devices, bringing us one step closer to realizing the full potential of quantum computing.

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

This report presents a comprehensive framework for generating high-quality 3D shapes and textures from diverse input prompts, including single images, multi-view images, and text descriptions. The framework consists of 3D shape generation and texture generation. (1). The 3D shape generation pipeline employs a Variational Autoencoder (VAE) to encode implicit 3D geometries into a latent space and a diffusion network to generate latents conditioned on input prompts, with modifications to enhance model capacity. An alternative Artist-Created Mesh (AM) generation approach is also explored, yielding promising results for simpler geometries. (2). Texture generation involves a multi-stage process starting with frontal images generation followed by multi-view images generation, RGB-to-PBR texture conversion, and high-resolution multi-view texture refinement. A consistency scheduler is plugged into every stage, to enforce pixel-wise consistency among multi-view textures during inference, ensuring seamless integration. The pipeline demonstrates effective handling of diverse input formats, leveraging advanced neural architectures and novel methodologies to produce high-quality 3D content. This report details the system architecture, experimental results, and potential future directions to improve and expand the framework. The source code and pretrained weights are released at: https://github.com/Tencent/Tencent-XR-3DGen.

In this paper, we learn disentangled representations of timbre and pitch for musical instrument sounds. We adapt a framework based on variational autoencoders with Gaussian mixture latent distributions. Specifically, we use two separate encoders to learn distinct latent spaces for timbre and pitch, which form Gaussian mixture components representing instrument identity and pitch, respectively. For reconstruction, latent variables of timbre and pitch are sampled from corresponding mixture components, and are concatenated as the input to a decoder. We show the model efficacy by latent space visualization, and a quantitative analysis indicates the discriminability of these spaces, even with a limited number of instrument labels for training. The model allows for controllable synthesis of selected instrument sounds by sampling from the latent spaces. To evaluate this, we trained instrument and pitch classifiers using original labeled data. These classifiers achieve high accuracy when tested on our synthesized sounds, which verifies the model performance of controllable realistic timbre and pitch synthesis. Our model also enables timbre transfer between multiple instruments, with a single autoencoder architecture, which is evaluated by measuring the shift in posterior of instrument classification. Our in depth evaluation confirms the model ability to successfully disentangle timbre and pitch.

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

Gaussian process state-space models (GPSSMs) provide a principled and flexible approach to modeling the dynamics of a latent state, which is observed at discrete-time points via a likelihood model. However, inference in GPSSMs is computationally and statistically challenging due to the large number of latent variables in the model and the strong temporal dependencies between them. In this paper, we propose a new method for inference in Bayesian GPSSMs, which overcomes the drawbacks of previous approaches, namely over-simplified assumptions, and high computational requirements. Our method is based on free-form variational inference via stochastic gradient Hamiltonian Monte Carlo within the inducing-variable formalism. Furthermore, by exploiting our proposed variational distribution, we provide a collapsed extension of our method where the inducing variables are marginalized analytically. We also showcase results when combining our framework with particle MCMC methods. We show that, on six real-world datasets, our approach can learn transition dynamics and latent states more accurately than competing methods.

Variational Auto-Encoder (VAE) has become the de-facto learning paradigm in achieving representation learning and generation for natural language at the same time. Nevertheless, existing VAE-based language models either employ elementary RNNs, which is not powerful to handle complex works in the multi-task situation, or fine-tunes two pre-trained language models (PLMs) for any downstream task, which is a huge drain on resources. In this paper, we propose the first VAE framework empowered with adaptive GPT-2s (AdaVAE). Different from existing systems, we unify both the encoder\&decoder of the VAE model using GPT-2s with adaptive parameter-efficient components, and further introduce Latent Attention operation to better construct latent space from transformer models. Experiments from multiple dimensions validate that AdaVAE is competent to effectively organize language in three related tasks (language modeling, representation modeling and guided text generation) even with less than 15% activated parameters in training. Our code is available at https://github.com/ImKeTT/AdaVAE.

Conditional Text Generation has drawn much attention as a topic of Natural Language Generation (NLG) which provides the possibility for humans to control the properties of generated contents. Current conditional generation models cannot handle emerging conditions due to their joint end-to-end learning fashion. When a new condition added, these techniques require full retraining. In this paper, we present a new framework named Pre-train and Plug-in Variational Auto-Encoder (PPVAE) towards flexible conditional text generation. PPVAE decouples the text generation module from the condition representation module to allow "one-to-many" conditional generation. When a fresh condition emerges, only a lightweight network needs to be trained and works as a plug-in for PPVAE, which is efficient and desirable for real-world applications. Extensive experiments demonstrate the superiority of PPVAE against the existing alternatives with better conditionality and diversity but less training effort.

Diffusion models, and their generalization, flow matching, have had a remarkable impact on the field of media generation. Here, the conventional approach is to learn the complex mapping from a simple source distribution of Gaussian noise to the target media distribution. For cross-modal tasks such as text-to-image generation, this same mapping from noise to image is learnt whilst including a conditioning mechanism in the model. One key and thus far relatively unexplored feature of flow matching is that, unlike Diffusion models, they are not constrained for the source distribution to be noise. Hence, in this paper, we propose a paradigm shift, and ask the question of whether we can instead train flow matching models to learn a direct mapping from the distribution of one modality to the distribution of another, thus obviating the need for both the noise distribution and conditioning mechanism. We present a general and simple framework, CrossFlow, for cross-modal flow matching. We show the importance of applying Variational Encoders to the input data, and introduce a method to enable Classifier-free guidance. Surprisingly, for text-to-image, CrossFlow with a vanilla transformer without cross attention slightly outperforms standard flow matching, and we show that it scales better with training steps and model size, while also allowing for interesting latent arithmetic which results in semantically meaningful edits in the output space. To demonstrate the generalizability of our approach, we also show that CrossFlow is on par with or outperforms the state-of-the-art for various cross-modal / intra-modal mapping tasks, viz. image captioning, depth estimation, and image super-resolution. We hope this paper contributes to accelerating progress in cross-modal media generation.

In this paper, we propose a hybrid approach for multi-object microbial cell segmentation. The approach combines an ML-based detection with a geometry-aware variational-based segmentation using B-splines that are parametrized based on a geometric model of the cell shape. The detection is done first using YOLOv5. In a second step, each detected cell is segmented individually. Thus, the segmentation only needs to be done on a per-cell basis, which makes it amenable to a variational approach that incorporates prior knowledge on the geometry. Here, the contour of the segmentation is modelled as closed uniform cubic B-spline, whose control points are parametrized using the known cell geometry. Compared to purely ML-based segmentation approaches, which need accurate segmentation maps as training data that are very laborious to produce, our method just needs bounding boxes as training data. Still, the proposed method performs on par with ML-based segmentation approaches usually used in this context. We study the performance of the proposed method on time-lapse microscopy data of Corynebacterium glutamicum.

Reinforcement Learning from Human Feedback (RLHF) is a powerful paradigm for aligning foundation models to human values and preferences. However, current RLHF techniques cannot account for the naturally occurring differences in individual human preferences across a diverse population. When these differences arise, traditional RLHF frameworks simply average over them, leading to inaccurate rewards and poor performance for individual subgroups. To address the need for pluralistic alignment, we develop a class of multimodal RLHF methods. Our proposed techniques are based on a latent variable formulation - inferring a novel user-specific latent and learning reward models and policies conditioned on this latent without additional user-specific data. While conceptually simple, we show that in practice, this reward modeling requires careful algorithmic considerations around model architecture and reward scaling. To empirically validate our proposed technique, we first show that it can provide a way to combat underspecification in simulated control problems, inferring and optimizing user-specific reward functions. Next, we conduct experiments on pluralistic language datasets representing diverse user preferences and demonstrate improved reward function accuracy. We additionally show the benefits of this probabilistic framework in terms of measuring uncertainty, and actively learning user preferences. This work enables learning from diverse populations of users with divergent preferences, an important challenge that naturally occurs in problems from robot learning to foundation model alignment.

Quantum Machine Learning (QML) has surfaced as a pioneering framework addressing sequential control tasks and time-series modeling. It has demonstrated empirical quantum advantages notably within domains such as Reinforcement Learning (RL) and time-series prediction. A significant advancement lies in Quantum Recurrent Neural Networks (QRNNs), specifically tailored for memory-intensive tasks encompassing partially observable environments and non-linear time-series prediction. Nevertheless, QRNN-based models encounter challenges, notably prolonged training duration stemming from the necessity to compute quantum gradients using backpropagation-through-time (BPTT). This predicament exacerbates when executing the complete model on quantum devices, primarily due to the substantial demand for circuit evaluation arising from the parameter-shift rule. This paper introduces the Quantum Fast Weight Programmers (QFWP) as a solution to the temporal or sequential learning challenge. The QFWP leverages a classical neural network (referred to as the 'slow programmer') functioning as a quantum programmer to swiftly modify the parameters of a variational quantum circuit (termed the 'fast programmer'). Instead of completely overwriting the fast programmer at each time-step, the slow programmer generates parameter changes or updates for the quantum circuit parameters. This approach enables the fast programmer to incorporate past observations or information. Notably, the proposed QFWP model achieves learning of temporal dependencies without necessitating the use of quantum recurrent neural networks. Numerical simulations conducted in this study showcase the efficacy of the proposed QFWP model in both time-series prediction and RL tasks. The model exhibits performance levels either comparable to or surpassing those achieved by QLSTM-based models.

Characterizing the relationship between neural population activity and behavioral data is a central goal of neuroscience. While latent variable models (LVMs) are successful in describing high-dimensional time-series data, they are typically only designed for a single type of data, making it difficult to identify structure shared across different experimental data modalities. Here, we address this shortcoming by proposing an unsupervised LVM which extracts temporally evolving shared and independent latents for distinct, simultaneously recorded experimental modalities. We do this by combining Gaussian Process Factor Analysis (GPFA), an interpretable LVM for neural spiking data with temporally smooth latent space, with Gaussian Process Variational Autoencoders (GP-VAEs), which similarly use a GP prior to characterize correlations in a latent space, but admit rich expressivity due to a deep neural network mapping to observations. We achieve interpretability in our model by partitioning latent variability into components that are either shared between or independent to each modality. We parameterize the latents of our model in the Fourier domain, and show improved latent identification using this approach over standard GP-VAE methods. We validate our model on simulated multi-modal data consisting of Poisson spike counts and MNIST images that scale and rotate smoothly over time. We show that the multi-modal GP-VAE (MM-GPVAE) is able to not only identify the shared and independent latent structure across modalities accurately, but provides good reconstructions of both images and neural rates on held-out trials. Finally, we demonstrate our framework on two real world multi-modal experimental settings: Drosophila whole-brain calcium imaging alongside tracked limb positions, and Manduca sexta spike train measurements from ten wing muscles as the animal tracks a visual stimulus.

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

In this paper, we propose Multiresolution Equivariant Graph Variational Autoencoders (MGVAE), the first hierarchical generative model to learn and generate graphs in a multiresolution and equivariant manner. At each resolution level, MGVAE employs higher order message passing to encode the graph while learning to partition it into mutually exclusive clusters and coarsening into a lower resolution that eventually creates a hierarchy of latent distributions. MGVAE then constructs a hierarchical generative model to variationally decode into a hierarchy of coarsened graphs. Importantly, our proposed framework is end-to-end permutation equivariant with respect to node ordering. MGVAE achieves competitive results with several generative tasks including general graph generation, molecular generation, unsupervised molecular representation learning to predict molecular properties, link prediction on citation graphs, and graph-based image generation.

We introduce the variational graph auto-encoder (VGAE), a framework for unsupervised learning on graph-structured data based on the variational auto-encoder (VAE). This model makes use of latent variables and is capable of learning interpretable latent representations for undirected graphs. We demonstrate this model using a graph convolutional network (GCN) encoder and a simple inner product decoder. Our model achieves competitive results on a link prediction task in citation networks. In contrast to most existing models for unsupervised learning on graph-structured data and link prediction, our model can naturally incorporate node features, which significantly improves predictive performance on a number of benchmark datasets.

The prior drift is crucial in Continual Test-Time Adaptation (CTTA) methods that only use unlabeled test data, as it can cause significant error propagation. In this paper, we introduce VCoTTA, a variational Bayesian approach to measure uncertainties in CTTA. At the source stage, we transform a pre-trained deterministic model into a Bayesian Neural Network (BNN) via a variational warm-up strategy, injecting uncertainties into the model. During the testing time, we employ a mean-teacher update strategy using variational inference for the student model and exponential moving average for the teacher model. Our novel approach updates the student model by combining priors from both the source and teacher models. The evidence lower bound is formulated as the cross-entropy between the student and teacher models, along with the Kullback-Leibler (KL) divergence of the prior mixture. Experimental results on three datasets demonstrate the method's effectiveness in mitigating prior drift within the CTTA framework.

Accent plays a significant role in speech communication, influencing one's capability to understand as well as conveying a person's identity. This paper introduces a novel and efficient framework for accented Text-to-Speech (TTS) synthesis based on a Conditional Variational Autoencoder. It has the ability to synthesize a selected speaker's voice, and convert this to any desired target accent. Our thorough experiments validate the effectiveness of the proposed framework using both objective and subjective evaluations. The results also show remarkable performance in terms of the model's ability to manipulate accents in the synthesized speech. Overall, our proposed framework presents a promising avenue for future accented TTS research.

We propose a flexible framework that deals with both singer conversion and singers vocal technique conversion. The proposed model is trained on non-parallel corpora, accommodates many-to-many conversion, and leverages recent advances of variational autoencoders. It employs separate encoders to learn disentangled latent representations of singer identity and vocal technique separately, with a joint decoder for reconstruction. Conversion is carried out by simple vector arithmetic in the learned latent spaces. Both a quantitative analysis as well as a visualization of the converted spectrograms show that our model is able to disentangle singer identity and vocal technique and successfully perform conversion of these attributes. To the best of our knowledge, this is the first work to jointly tackle conversion of singer identity and vocal technique based on a deep learning approach.

We introduce a Three-Dimensional Convolutional Variational Autoencoder (3D-CVAE) for automated anomaly detection in Electron Energy Loss Spectroscopy Spectrum Imaging (EELS-SI) data. Our approach leverages the full three-dimensional structure of EELS-SI data to detect subtle spectral anomalies while preserving both spatial and spectral correlations across the datacube. By employing negative log-likelihood loss and training on bulk spectra, the model learns to reconstruct bulk features characteristic of the defect-free material. In exploring methods for anomaly detection, we evaluated both our 3D-CVAE approach and Principal Component Analysis (PCA), testing their performance using Fe L-edge peak shifts designed to simulate material defects. Our results show that 3D-CVAE achieves superior anomaly detection and maintains consistent performance across various shift magnitudes. The method demonstrates clear bimodal separation between normal and anomalous spectra, enabling reliable classification. Further analysis verifies that lower dimensional representations are robust to anomalies in the data. While performance advantages over PCA diminish with decreasing anomaly concentration, our method maintains high reconstruction quality even in challenging, noise-dominated spectral regions. This approach provides a robust framework for unsupervised automated detection of spectral anomalies in EELS-SI data, particularly valuable for analyzing complex material systems.

Recent advancements in automatic 3D avatar generation guided by text have made significant progress. However, existing methods have limitations such as oversaturation and low-quality output. To address these challenges, we propose X-Oscar, a progressive framework for generating high-quality animatable avatars from text prompts. It follows a sequential Geometry->Texture->Animation paradigm, simplifying optimization through step-by-step generation. To tackle oversaturation, we introduce Adaptive Variational Parameter (AVP), representing avatars as an adaptive distribution during training. Additionally, we present Avatar-aware Score Distillation Sampling (ASDS), a novel technique that incorporates avatar-aware noise into rendered images for improved generation quality during optimization. Extensive evaluations confirm the superiority of X-Oscar over existing text-to-3D and text-to-avatar approaches. Our anonymous project page: https://xmu-xiaoma666.github.io/Projects/X-Oscar/.

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

Multi-agent coordination is crucial for reliable multi-robot navigation in shared spaces such as automated warehouses. In regions of dense robot traffic, local coordination methods may fail to find a deadlock-free solution. In these scenarios, it is appropriate to let a central unit generate a global schedule that decides the passing order of robots. However, the runtime of such centralized coordination methods increases significantly with the problem scale. In this paper, we propose to leverage Graph Neural Network Variational Autoencoders (GNN-VAE) to solve the multi-agent coordination problem at scale faster than through centralized optimization. We formulate the coordination problem as a graph problem and collect ground truth data using a Mixed-Integer Linear Program (MILP) solver. During training, our learning framework encodes good quality solutions of the graph problem into a latent space. At inference time, solution samples are decoded from the sampled latent variables, and the lowest-cost sample is selected for coordination. Finally, the feasible proposal with the highest performance index is selected for the deployment. By construction, our GNN-VAE framework returns solutions that always respect the constraints of the considered coordination problem. Numerical results show that our approach trained on small-scale problems can achieve high-quality solutions even for large-scale problems with 250 robots, being much faster than other baselines. Project page: https://mengyuest.github.io/gnn-vae-coord

Temporal distribution shift (TDS) erodes the long-term accuracy of recommender systems, yet industrial practice still relies on periodic incremental training, which struggles to capture both stable and transient patterns. Existing approaches such as invariant learning and self-supervised learning offer partial solutions but often suffer from unstable temporal generalization, representation collapse, or inefficient data utilization. To address these limitations, we propose ELBO_TDS, a probabilistic framework that integrates seamlessly into industry-scale incremental learning pipelines. First, we identify key shifting factors through statistical analysis of real-world production data and design a simple yet effective data augmentation strategy that resamples these time-varying factors to extend the training support. Second, to harness the benefits of this extended distribution while preventing representation collapse, we model the temporal recommendation scenario using a causal graph and derive a self-supervised variational objective, ELBO_TDS, grounded in the causal structure. Extensive experiments supported by both theoretical and empirical analysis demonstrate that our method achieves superior temporal generalization, yielding a 2.33\% uplift in GMV per user and has been successfully deployed in Shopee Product Search. Code is available at https://github.com/FuCongResearchSquad/ELBO4TDS.

Zero-Input AI (ZIA) introduces a novel framework for human-computer interaction by enabling proactive intent prediction without explicit user commands. It integrates gaze tracking, bio-signals (EEG, heart rate), and contextual data (time, location, usage history) into a multi-modal model for real-time inference, targeting <100 ms latency. The proposed architecture employs a transformer-based model with cross-modal attention, variational Bayesian inference for uncertainty estimation, and reinforcement learning for adaptive optimization. To support deployment on edge devices (CPUs, TPUs, NPUs), ZIA utilizes quantization, weight pruning, and linear attention to reduce complexity from quadratic to linear with sequence length. Theoretical analysis establishes an information-theoretic bound on prediction error and demonstrates how multi-modal fusion improves accuracy over single-modal approaches. Expected performance suggests 85-90% accuracy with EEG integration and 60-100 ms inference latency. ZIA provides a scalable, privacy-preserving framework for accessibility, healthcare, and consumer applications, advancing AI toward anticipatory intelligence.

Anomaly detection in 12-lead electrocardiograms (ECGs) is critical for identifying deviations associated with cardiovascular disease. This work presents a comparative analysis of three autoencoder-based architectures: convolutional autoencoder (CAE), variational autoencoder with bidirectional long short-term memory (VAE-BiLSTM), and VAE-BiLSTM with multi-head attention (VAE-BiLSTM-MHA), for unsupervised anomaly detection in ECGs. To the best of our knowledge, this study reports the first application of a VAE-BiLSTM-MHA architecture to ECG anomaly detection. All models are trained on normal ECG samples to reconstruct non-anomalous cardiac morphology and detect deviations indicative of disease. Using a unified preprocessing and evaluation pipeline on the public China Physiological Signal Challenge (CPSC) dataset, the attention-augmented VAE achieves the best performance, with an AUPRC of 0.81 and a recall of 0.85 on the held-out test set, outperforming the other architectures. To support clinical triage, this model is further integrated into an interactive dashboard that visualizes anomaly localization. In addition, a performance comparison with baseline models from the literature is provided.

Multimodal recommender systems amalgamate multimodal information (e.g., textual descriptions, images) into a collaborative filtering framework to provide more accurate recommendations. While the incorporation of multimodal information could enhance the interpretability of these systems, current multimodal models represent users and items utilizing entangled numerical vectors, rendering them arduous to interpret. To address this, we propose a Disentangled Graph Variational Auto-Encoder (DGVAE) that aims to enhance both model and recommendation interpretability. DGVAE initially projects multimodal information into textual contents, such as converting images to text, by harnessing state-of-the-art multimodal pre-training technologies. It then constructs a frozen item-item graph and encodes the contents and interactions into two sets of disentangled representations utilizing a simplified residual graph convolutional network. DGVAE further regularizes these disentangled representations through mutual information maximization, aligning the representations derived from the interactions between users and items with those learned from textual content. This alignment facilitates the interpretation of user binary interactions via text. Our empirical analysis conducted on three real-world datasets demonstrates that DGVAE significantly surpasses the performance of state-of-the-art baselines by a margin of 10.02%. We also furnish a case study from a real-world dataset to illustrate the interpretability of DGVAE. Code is available at: https://github.com/enoche/DGVAE.

Large language models (LLM)-based speech synthesis has been widely adopted in zero-shot speech synthesis. However, they require a large-scale data and possess the same limitations as previous autoregressive speech models, including slow inference speed and lack of robustness. This paper proposes HierSpeech++, a fast and strong zero-shot speech synthesizer for text-to-speech (TTS) and voice conversion (VC). We verified that hierarchical speech synthesis frameworks could significantly improve the robustness and expressiveness of the synthetic speech. Furthermore, we significantly improve the naturalness and speaker similarity of synthetic speech even in zero-shot speech synthesis scenarios. For text-to-speech, we adopt the text-to-vec framework, which generates a self-supervised speech representation and an F0 representation based on text representations and prosody prompts. Then, HierSpeech++ generates speech from the generated vector, F0, and voice prompt. We further introduce a high-efficient speech super-resolution framework from 16 kHz to 48 kHz. The experimental results demonstrated that the hierarchical variational autoencoder could be a strong zero-shot speech synthesizer given that it outperforms LLM-based and diffusion-based models. Moreover, we achieved the first human-level quality zero-shot speech synthesis. Audio samples and source code are available at https://github.com/sh-lee-prml/HierSpeechpp.

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

In disentangled representation learning, the goal is to achieve a compact representation that consists of all interpretable generative factors in the observational data. Learning disentangled representations for graphs becomes increasingly important as graph data rapidly grows. Existing approaches often rely on Variational Auto-Encoder (VAE) or its causal structure learning-based refinement, which suffer from sub-optimality in VAEs due to the independence factor assumption and unavailability of concept labels, respectively. In this paper, we propose an unsupervised solution, dubbed concept-free causal disentanglement, built on a theoretically provable tight upper bound approximating the optimal factor. This results in an SCM-like causal structure modeling that directly learns concept structures from data. Based on this idea, we propose Concept-free Causal VGAE (CCVGAE) by incorporating a novel causal disentanglement layer into Variational Graph Auto-Encoder. Furthermore, we prove concept consistency under our concept-free causal disentanglement framework, hence employing it to enhance the meta-learning framework, called concept-free causal Meta-Graph (CC-Meta-Graph). We conduct extensive experiments to demonstrate the superiority of the proposed models: CCVGAE and CC-Meta-Graph, reaching up to 29% and 11% absolute improvements over baselines in terms of AUC, respectively.

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

Recent work has explored sequence-to-sequence latent variable models for expressive speech synthesis (supporting control and transfer of prosody and style), but has not presented a coherent framework for understanding the trade-offs between the competing methods. In this paper, we propose embedding capacity (the amount of information the embedding contains about the data) as a unified method of analyzing the behavior of latent variable models of speech, comparing existing heuristic (non-variational) methods to variational methods that are able to explicitly constrain capacity using an upper bound on representational mutual information. In our proposed model (Capacitron), we show that by adding conditional dependencies to the variational posterior such that it matches the form of the true posterior, the same model can be used for high-precision prosody transfer, text-agnostic style transfer, and generation of natural-sounding prior samples. For multi-speaker models, Capacitron is able to preserve target speaker identity during inter-speaker prosody transfer and when drawing samples from the latent prior. Lastly, we introduce a method for decomposing embedding capacity hierarchically across two sets of latents, allowing a portion of the latent variability to be specified and the remaining variability sampled from a learned prior. Audio examples are available on the web.

Graph representation learning is a fundamental research theme and can be generalized to benefit multiple downstream tasks from the node and link levels to the higher graph level. In practice, it is desirable to develop task-agnostic general graph representation learning methods that are typically trained in an unsupervised manner. Related research reveals that the power of graph representation learning methods depends on whether they can differentiate distinct graph structures as different embeddings and map isomorphic graphs to consistent embeddings (i.e., the isomorphic consistency of graph models). However, for task-agnostic general graph representation learning, existing unsupervised graph models, represented by the variational graph auto-encoders (VGAEs), can only keep the isomorphic consistency within the subgraphs of 1-hop neighborhoods and thus usually manifest inferior performance on the more difficult higher-level tasks. To overcome the limitations of existing unsupervised methods, in this paper, we propose the Isomorphic-Consistent VGAE (IsoC-VGAE) for multi-level task-agnostic graph representation learning. We first devise a decoding scheme to provide a theoretical guarantee of keeping the isomorphic consistency under the settings of unsupervised learning. We then propose the Inverse Graph Neural Network (Inv-GNN) decoder as its intuitive realization, which trains the model via reconstructing the GNN node embeddings with multi-hop neighborhood information, so as to maintain the high-order isomorphic consistency within the VGAE framework. We conduct extensive experiments on the representative graph learning tasks at different levels, including node classification, link prediction and graph classification, and the results verify that our proposed model generally outperforms both the state-of-the-art unsupervised methods and representative supervised methods.

Bayesian neural networks (BNNs) offer uncertainty quantification but come with the downside of substantially increased training and inference costs. Sparse BNNs have been investigated for efficient inference, typically by either slowly introducing sparsity throughout the training or by post-training compression of dense BNNs. The dilemma of how to cut down massive training costs remains, particularly given the requirement to learn about the uncertainty. To solve this challenge, we introduce Sparse Subspace Variational Inference (SSVI), the first fully sparse BNN framework that maintains a consistently highly sparse Bayesian model throughout the training and inference phases. Starting from a randomly initialized low-dimensional sparse subspace, our approach alternately optimizes the sparse subspace basis selection and its associated parameters. While basis selection is characterized as a non-differentiable problem, we approximate the optimal solution with a removal-and-addition strategy, guided by novel criteria based on weight distribution statistics. Our extensive experiments show that SSVI sets new benchmarks in crafting sparse BNNs, achieving, for instance, a 10-20x compression in model size with under 3\% performance drop, and up to 20x FLOPs reduction during training compared with dense VI training. Remarkably, SSVI also demonstrates enhanced robustness to hyperparameters, reducing the need for intricate tuning in VI and occasionally even surpassing VI-trained dense BNNs on both accuracy and uncertainty metrics.

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

Score Distillation Sampling (SDS) has emerged as a prevalent technique for text-to-3D generation, enabling 3D content creation by distilling view-dependent information from text-to-2D guidance. However, they frequently exhibit shortcomings such as over-saturated color and excess smoothness. In this paper, we conduct a thorough analysis of SDS and refine its formulation, finding that the core design is to model the distribution of rendered images. Following this insight, we introduce a novel strategy called Variational Distribution Mapping (VDM), which expedites the distribution modeling process by regarding the rendered images as instances of degradation from diffusion-based generation. This special design enables the efficient training of variational distribution by skipping the calculations of the Jacobians in the diffusion U-Net. We also introduce timestep-dependent Distribution Coefficient Annealing (DCA) to further improve distilling precision. Leveraging VDM and DCA, we use Gaussian Splatting as the 3D representation and build a text-to-3D generation framework. Extensive experiments and evaluations demonstrate the capability of VDM and DCA to generate high-fidelity and realistic assets with optimization efficiency.

While 3D content generation has advanced significantly, existing methods still face challenges with input formats, latent space design, and output representations. This paper introduces a novel 3D generation framework that addresses these challenges, offering scalable, high-quality 3D generation with an interactive Point Cloud-structured Latent space. Our framework employs a Variational Autoencoder (VAE) with multi-view posed RGB-D(epth)-N(ormal) renderings as input, using a unique latent space design that preserves 3D shape information, and incorporates a cascaded latent diffusion model for improved shape-texture disentanglement. The proposed method, GaussianAnything, supports multi-modal conditional 3D generation, allowing for point cloud, caption, and single/multi-view image inputs. Notably, the newly proposed latent space naturally enables geometry-texture disentanglement, thus allowing 3D-aware editing. Experimental results demonstrate the effectiveness of our approach on multiple datasets, outperforming existing methods in both text- and image-conditioned 3D generation.

Generating high resolution 3D shapes using volumetric representations such as Signed Distance Functions presents substantial computational and memory challenges. We introduce Direct3D S2, a scalable 3D generation framework based on sparse volumes that achieves superior output quality with dramatically reduced training costs. Our key innovation is the Spatial Sparse Attention mechanism, which greatly enhances the efficiency of Diffusion Transformer computations on sparse volumetric data. SSA allows the model to effectively process large token sets within sparse volumes, significantly reducing computational overhead and achieving a 3.9x speedup in the forward pass and a 9.6x speedup in the backward pass. Our framework also includes a variational autoencoder that maintains a consistent sparse volumetric format across input, latent, and output stages. Compared to previous methods with heterogeneous representations in 3D VAE, this unified design significantly improves training efficiency and stability. Our model is trained on public available datasets, and experiments demonstrate that Direct3D S2 not only surpasses state-of-the-art methods in generation quality and efficiency, but also enables training at 1024 resolution using only 8 GPUs, a task typically requiring at least 32 GPUs for volumetric representations at 256 resolution, thus making gigascale 3D generation both practical and accessible. Project page: https://nju3dv.github.io/projects/Direct3D-S2/.

Graph representation of objects and their relations in a scene, known as a scene graph, provides a precise and discernible interface to manipulate a scene by modifying the nodes or the edges in the graph. Although existing works have shown promising results in modifying the placement and pose of objects, scene manipulation often leads to losing some visual characteristics like the appearance or identity of objects. In this work, we propose DisPositioNet, a model that learns a disentangled representation for each object for the task of image manipulation using scene graphs in a self-supervised manner. Our framework enables the disentanglement of the variational latent embeddings as well as the feature representation in the graph. In addition to producing more realistic images due to the decomposition of features like pose and identity, our method takes advantage of the probabilistic sampling in the intermediate features to generate more diverse images in object replacement or addition tasks. The results of our experiments show that disentangling the feature representations in the latent manifold of the model outperforms the previous works qualitatively and quantitatively on two public benchmarks. Project Page: https://scenegenie.github.io/DispositioNet/

The virtual world is being established in which digital humans are created indistinguishable from real humans. Producing their audio-related capabilities is crucial since voice conveys extensive personal characteristics. We aim to create a controllable audio-form virtual singer; however, supervised modeling and controlling all different factors of the singing voice, such as timbre, tempo, pitch, and lyrics, is extremely difficult since accurately labeling all such information needs enormous labor work. In this paper, we propose a framework that could digitize a person's voice by simply "listening" to the clean voice recordings of any content in a fully unsupervised manner and predict singing voices even only using speaking recordings. A variational auto-encoder (VAE) based framework is developed, which leverages a set of pre-trained models to encode the audio as various hidden embeddings representing different factors of the singing voice, and further decodes the embeddings into raw audio. By manipulating the hidden embeddings for different factors, the resulting singing voices can be controlled, and new virtual singers can also be further generated by interpolating between timbres. Evaluations of different types of experiments demonstrate the proposed method's effectiveness. The proposed method is the critical technique for producing the AI choir, which empowered the human-AI symbiotic orchestra in Hong Kong in July 2022.

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

We propose a new character-based text classification framework for non-alphabetic languages, such as Chinese and Japanese. Our framework consists of a variational character encoder (VCE) and character-level text classifier. The VCE is composed of a beta-variational auto-encoder (beta-VAE) that learns the proposed glyph-aware disentangled character embedding (GDCE). Since our GDCE provides zero-mean unit-variance character embeddings that are dimensionally independent, it is applicable for our interpretable data augmentation, namely, semantic sub-character augmentation (SSA). In this paper, we evaluated our framework using Japanese text classification tasks at the document- and sentence-level. We confirmed that our GDCE and SSA not only provided embedding interpretability but also improved the classification performance. Our proposal achieved a competitive result to the state-of-the-art model while also providing model interpretability. Our code is available on https://github.com/IyatomiLab/GDCE-SSA

This paper proposes a hierarchical generative model with a multi-grained latent variable to synthesize expressive speech. In recent years, fine-grained latent variables are introduced into the text-to-speech synthesis that enable the fine control of the prosody and speaking styles of synthesized speech. However, the naturalness of speech degrades when these latent variables are obtained by sampling from the standard Gaussian prior. To solve this problem, we propose a novel framework for modeling the fine-grained latent variables, considering the dependence on an input text, a hierarchical linguistic structure, and a temporal structure of latent variables. This framework consists of a multi-grained variational autoencoder, a conditional prior, and a multi-level auto-regressive latent converter to obtain the different time-resolution latent variables and sample the finer-level latent variables from the coarser-level ones by taking into account the input text. Experimental results indicate an appropriate method of sampling fine-grained latent variables without the reference signal at the synthesis stage. Our proposed framework also provides the controllability of speaking style in an entire utterance.

Tips, as a compacted and concise form of reviews, were paid less attention by researchers. In this paper, we investigate the task of tips generation by considering the `persona' information which captures the intrinsic language style of the users or the different characteristics of the product items. In order to exploit the persona information, we propose a framework based on adversarial variational auto-encoders (aVAE) for persona modeling from the historical tips and reviews of users and items. The latent variables from aVAE are regarded as persona embeddings. Besides representing persona using the latent embeddings, we design a persona memory for storing the persona related words for users and items. Pointer Network is used to retrieve persona wordings from the memory when generating tips. Moreover, the persona embeddings are used as latent factors by a rating prediction component to predict the sentiment of a user over an item. Finally, the persona embeddings and the sentiment information are incorporated into a recurrent neural networks based tips generation component. Extensive experimental results are reported and discussed to elaborate the peculiarities of our framework.

We present a novel alignment-before-generation approach to tackle the challenging task of generating general 3D shapes based on 2D images or texts. Directly learning a conditional generative model from images or texts to 3D shapes is prone to producing inconsistent results with the conditions because 3D shapes have an additional dimension whose distribution significantly differs from that of 2D images and texts. To bridge the domain gap among the three modalities and facilitate multi-modal-conditioned 3D shape generation, we explore representing 3D shapes in a shape-image-text-aligned space. Our framework comprises two models: a Shape-Image-Text-Aligned Variational Auto-Encoder (SITA-VAE) and a conditional Aligned Shape Latent Diffusion Model (ASLDM). The former model encodes the 3D shapes into the shape latent space aligned to the image and text and reconstructs the fine-grained 3D neural fields corresponding to given shape embeddings via the transformer-based decoder. The latter model learns a probabilistic mapping function from the image or text space to the latent shape space. Our extensive experiments demonstrate that our proposed approach can generate higher-quality and more diverse 3D shapes that better semantically conform to the visual or textural conditional inputs, validating the effectiveness of the shape-image-text-aligned space for cross-modality 3D shape generation.

We present a framework for learning disentangled and interpretable jointly continuous and discrete representations in an unsupervised manner. By augmenting the continuous latent distribution of variational autoencoders with a relaxed discrete distribution and controlling the amount of information encoded in each latent unit, we show how continuous and categorical factors of variation can be discovered automatically from data. Experiments show that the framework disentangles continuous and discrete generative factors on various datasets and outperforms current disentangling methods when a discrete generative factor is prominent.

Latent heat thermal energy storage (LHTES) systems are compelling candidates for energy storage, primarily owing to their high storage density. Improving their performance is crucial for developing the next-generation efficient and cost effective devices. Topology optimization (TO) has emerged as a powerful computational tool to design LHTES systems by optimally distributing a high-conductivity material (HCM) and a phase change material (PCM). However, conventional TO typically limits to optimizing the geometry for a fixed, pre-selected materials. This approach does not leverage the large and expanding databases of novel materials. Consequently, the co-design of material and geometry for LHTES remains a challenge and unexplored. To address this limitation, we present an automated design framework for the concurrent optimization of material choice and topology. A key challenge is the discrete nature of material selection, which is incompatible with the gradient-based methods used for TO. We overcome this by using a data-driven variational autoencoder (VAE) to project discrete material databases for both the HCM and PCM onto continuous and differentiable latent spaces. These continuous material representations are integrated into an end-to-end differentiable, transient nonlinear finite-element solver that accounts for phase change. We demonstrate this framework on a problem aimed at maximizing the discharged energy within a specified time, subject to cost constraints. The effectiveness of the proposed method is validated through several illustrative examples.

We present a novel framework for multi-domain synthesis of artwork from semantic layouts. One of the main limitations of this challenging task is the lack of publicly available segmentation datasets for art synthesis. To address this problem, we propose a dataset, which we call ArtSem, that contains 40,000 images of artwork from 4 different domains with their corresponding semantic label maps. We generate the dataset by first extracting semantic maps from landscape photography and then propose a conditional Generative Adversarial Network (GAN)-based approach to generate high-quality artwork from the semantic maps without necessitating paired training data. Furthermore, we propose an artwork synthesis model that uses domain-dependent variational encoders for high-quality multi-domain synthesis. The model is improved and complemented with a simple but effective normalization method, based on normalizing both the semantic and style jointly, which we call Spatially STyle-Adaptive Normalization (SSTAN). In contrast to previous methods that only take semantic layout as input, our model is able to learn a joint representation of both style and semantic information, which leads to better generation quality for synthesizing artistic images. Results indicate that our model learns to separate the domains in the latent space, and thus, by identifying the hyperplanes that separate the different domains, we can also perform fine-grained control of the synthesized artwork. By combining our proposed dataset and approach, we are able to generate user-controllable artwork that is of higher quality than existing

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

Although recent advancements in diffusion models have significantly enriched the quality of generated images, challenges remain in synthesizing pixel-based human-drawn sketches, a representative example of abstract expression. To combat these challenges, we propose StableSketcher, a novel framework that empowers diffusion models to generate hand-drawn sketches with high prompt fidelity. Within this framework, we fine-tune the variational autoencoder to optimize latent decoding, enabling it to better capture the characteristics of sketches. In parallel, we integrate a new reward function for reinforcement learning based on visual question answering, which improves text-image alignment and semantic consistency. Extensive experiments demonstrate that StableSketcher generates sketches with improved stylistic fidelity, achieving better alignment with prompts compared to the Stable Diffusion baseline. Additionally, we introduce SketchDUO, to the best of our knowledge, the first dataset comprising instance-level sketches paired with captions and question-answer pairs, thereby addressing the limitations of existing datasets that rely on image-label pairs. Our code and dataset will be made publicly available upon acceptance.

Recently, a series of papers proposed deep learning-based approaches to sample from unnormalized target densities using controlled diffusion processes. In this work, we identify these approaches as special cases of the Schr\"odinger bridge problem, seeking the most likely stochastic evolution between a given prior distribution and the specified target. We further generalize this framework by introducing a variational formulation based on divergences between path space measures of time-reversed diffusion processes. This abstract perspective leads to practical losses that can be optimized by gradient-based algorithms and includes previous objectives as special cases. At the same time, it allows us to consider divergences other than the reverse Kullback-Leibler divergence that is known to suffer from mode collapse. In particular, we propose the so-called log-variance loss, which exhibits favorable numerical properties and leads to significantly improved performance across all considered approaches.

This paper presents a novel approach to neural instrument sound synthesis using a two-stage semi-supervised learning framework capable of generating pitch-accurate, high-quality music samples from an expressive timbre latent space. Existing approaches that achieve sufficient quality for music production often rely on high-dimensional latent representations that are difficult to navigate and provide unintuitive user experiences. We address this limitation through a two-stage training paradigm: first, we train a pitch-timbre disentangled 2D representation of audio samples using a Variational Autoencoder; second, we use this representation as conditioning input for a Transformer-based generative model. The learned 2D latent space serves as an intuitive interface for navigating and exploring the sound landscape. We demonstrate that the proposed method effectively learns a disentangled timbre space, enabling expressive and controllable audio generation with reliable pitch conditioning. Experimental results show the model's ability to capture subtle variations in timbre while maintaining a high degree of pitch accuracy. The usability of our method is demonstrated in an interactive web application, highlighting its potential as a step towards future music production environments that are both intuitive and creatively empowering: https://pgesam.faresschulz.com

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.

We introduce a novel framework for 3D human avatar generation and personalization, leveraging text prompts to enhance user engagement and customization. Central to our approach are key innovations aimed at overcoming the challenges in photo-realistic avatar synthesis. Firstly, we utilize a conditional Neural Radiance Fields (NeRF) model, trained on a large-scale unannotated multi-view dataset, to create a versatile initial solution space that accelerates and diversifies avatar generation. Secondly, we develop a geometric prior, leveraging the capabilities of Text-to-Image Diffusion Models, to ensure superior view invariance and enable direct optimization of avatar geometry. These foundational ideas are complemented by our optimization pipeline built on Variational Score Distillation (VSD), which mitigates texture loss and over-saturation issues. As supported by our extensive experiments, these strategies collectively enable the creation of custom avatars with unparalleled visual quality and better adherence to input text prompts. You can find more results and videos in our website: https://syntec-research.github.io/MagicMirror

Recent embedding-based methods have achieved great successes on exploiting entity alignment from knowledge graph (KG) embeddings of multiple modals. In this paper, we study embedding-based entity alignment (EEA) from a perspective of generative models. We show that EEA is a special problem where the main objective is analogous to that in a typical generative model, based on which we theoretically prove the effectiveness of the recently developed generative adversarial network (GAN)-based EEA methods. We then reveal that their incomplete objective limits the capacity on both entity alignment and entity synthesis (i.e., generating new entities). We mitigate this problem by introducing a generative EEA (abbr., GEEA) framework with the proposed mutual variational autoencoder (M-VAE) as the generative model. M-VAE can convert an entity from one KG to another and generate new entities from random noise vectors. We demonstrate the power of GEEA with theoretical analysis and empirical experiments on both entity alignment and entity synthesis tasks.

The free energy principle, and its corollary active inference, constitute a bio-inspired theory that assumes biological agents act to remain in a restricted set of preferred states of the world, i.e., they minimize their free energy. Under this principle, biological agents learn a generative model of the world and plan actions in the future that will maintain the agent in an homeostatic state that satisfies its preferences. This framework lends itself to being realized in silico, as it comprehends important aspects that make it computationally affordable, such as variational inference and amortized planning. In this work, we investigate the tool of deep learning to design and realize artificial agents based on active inference, presenting a deep-learning oriented presentation of the free energy principle, surveying works that are relevant in both machine learning and active inference areas, and discussing the design choices that are involved in the implementation process. This manuscript probes newer perspectives for the active inference framework, grounding its theoretical aspects into more pragmatic affairs, offering a practical guide to active inference newcomers and a starting point for deep learning practitioners that would like to investigate implementations of the free energy principle.

Document clustering and topic modeling are two closely related tasks which can mutually benefit each other. Topic modeling can project documents into a topic space which facilitates effective document clustering. Cluster labels discovered by document clustering can be incorporated into topic models to extract local topics specific to each cluster and global topics shared by all clusters. In this paper, we propose a multi-grain clustering topic model (MGCTM) which integrates document clustering and topic modeling into a unified framework and jointly performs the two tasks to achieve the overall best performance. Our model tightly couples two components: a mixture component used for discovering latent groups in document collection and a topic model component used for mining multi-grain topics including local topics specific to each cluster and global topics shared across clusters.We employ variational inference to approximate the posterior of hidden variables and learn model parameters. Experiments on two datasets demonstrate the effectiveness of our model.

Generating full-length, high-quality songs is challenging, as it requires maintaining long-term coherence both across text and music modalities and within the music modality itself. Existing non-autoregressive (NAR) frameworks, while capable of producing high-quality songs, often struggle with the alignment between lyrics and vocal. Concurrently, catering to diverse musical preferences necessitates reinforcement learning from human feedback (RLHF). However, existing methods often rely on merging multiple models during multi-preference optimization, which results in significant performance degradation. To address these challenges, we introduce DiffRhythm 2, an end-to-end framework designed for high-fidelity, controllable song generation. To tackle the lyric alignment problem, DiffRhythm 2 employs a semi-autoregressive architecture based on block flow matching. This design enables faithful alignment of lyrics to singing vocals without relying on external labels and constraints, all while preserving the high generation quality and efficiency of NAR models. To make this framework computationally tractable for long sequences, we implement a music variational autoencoder (VAE) that achieves a low frame rate of 5 Hz while still enabling high-fidelity audio reconstruction. In addition, to overcome the limitations of multi-preference optimization in RLHF, we propose cross-pair preference optimization. This method effectively mitigates the performance drop typically associated with model merging, allowing for more robust optimization across diverse human preferences. We further enhance musicality and structural coherence by introducing stochastic block representation alignment loss.

Accurate prediction of bond dissociation energies (BDEs) underpins mechanistic insight and the rational design of molecules and materials. We present a systematic, reproducible benchmark comparing quantum and classical machine learning models for BDE prediction using a chemically curated feature set encompassing atomic properties (atomic numbers, hybridization), bond characteristics (bond order, type), and local environmental descriptors. Our quantum framework, implemented in Qiskit Aer on six qubits, employs ZZFeatureMap encodings with variational ansatz (RealAmplitudes) across multiple architectures Variational Quantum Regressors (VQR), Quantum Support Vector Regressors (QSVR), Quantum Neural Networks (QNN), Quantum Convolutional Neural Networks (QCNN), and Quantum Random Forests (QRF). These are rigorously benchmarked against strong classical baselines, including Support Vector Regression (SVR), Random Forests (RF), and Multi-Layer Perceptrons (MLP). Comprehensive evaluation spanning absolute and relative error metrics, threshold accuracies, and error distributions shows that top-performing quantum models (QCNN, QRF) match the predictive accuracy and robustness of classical ensembles and deep networks, particularly within the chemically prevalent mid-range BDE regime. These findings establish a transparent baseline for quantum-enhanced molecular property prediction and outline a practical foundation for advancing quantum computational chemistry toward near chemical accuracy.

Text-driven motion generation has attracted increasing attention due to its broad applications in virtual reality, animation, and robotics. While existing methods typically model human and animal motion separately, a joint cross-species approach offers key advantages, such as a unified representation and improved generalization. However, morphological differences across species remain a key challenge, often compromising motion plausibility. To address this, we propose X-MoGen, the first unified framework for cross-species text-driven motion generation covering both humans and animals. X-MoGen adopts a two-stage architecture. First, a conditional graph variational autoencoder learns canonical T-pose priors, while an autoencoder encodes motion into a shared latent space regularized by morphological loss. In the second stage, we perform masked motion modeling to generate motion embeddings conditioned on textual descriptions. During training, a morphological consistency module is employed to promote skeletal plausibility across species. To support unified modeling, we construct UniMo4D, a large-scale dataset of 115 species and 119k motion sequences, which integrates human and animal motions under a shared skeletal topology for joint training. Extensive experiments on UniMo4D demonstrate that X-MoGen outperforms state-of-the-art methods on both seen and unseen species.

Accurate ocean modeling and coastal hazard prediction depend on high-resolution bathymetric data; yet, current worldwide datasets are too coarse for exact numerical simulations. While recent deep learning advances have improved earth observation data resolution, existing methods struggle with the unique challenges of producing detailed ocean floor maps, especially in maintaining physical structure consistency and quantifying uncertainties. This work presents a novel uncertainty-aware mechanism using spatial blocks to efficiently capture local bathymetric complexity based on block-based conformal prediction. Using the Vector Quantized Variational Autoencoder (VQ-VAE) architecture, the integration of this uncertainty quantification framework yields spatially adaptive confidence estimates while preserving topographical features via discrete latent representations. With smaller uncertainty widths in well-characterized areas and appropriately larger bounds in areas of complex seafloor structures, the block-based design adapts uncertainty estimates to local bathymetric complexity. Compared to conventional techniques, experimental results over several ocean regions show notable increases in both reconstruction quality and uncertainty estimation reliability. This framework increases the reliability of bathymetric reconstructions by preserving structural integrity while offering spatially adaptive uncertainty estimates, so opening the path for more solid climate modeling and coastal hazard assessment.

We introduce a gradient-free framework for Bayesian Optimal Experimental Design (BOED) in sequential settings, aimed at complex systems where gradient information is unavailable. Our method combines Ensemble Kalman Inversion (EKI) for design optimization with the Affine-Invariant Langevin Dynamics (ALDI) sampler for efficient posterior sampling-both of which are derivative-free and ensemble-based. To address the computational challenges posed by nested expectations in BOED, we propose variational Gaussian and parametrized Laplace approximations that provide tractable upper and lower bounds on the Expected Information Gain (EIG). These approximations enable scalable utility estimation in high-dimensional spaces and PDE-constrained inverse problems. We demonstrate the performance of our framework through numerical experiments ranging from linear Gaussian models to PDE-based inference tasks, highlighting the method's robustness, accuracy, and efficiency in information-driven experimental design.

Designing quantum circuits for specific tasks is challenging due to the exponential growth of the state space. We introduce gadget reinforcement learning (GRL), which integrates reinforcement learning with program synthesis to automatically generate and incorporate composite gates (gadgets) into the action space. This enhances the exploration of parameterized quantum circuits (PQCs) for complex tasks like approximating ground states of quantum Hamiltonians, an NP-hard problem. We evaluate GRL using the transverse field Ising model under typical computational budgets (e.g., 2- 3 days of GPU runtime). Our results show improved accuracy, hardware compatibility and scalability. GRL exhibits robust performance as the size and complexity of the problem increases, even with constrained computational resources. By integrating gadget extraction, GRL facilitates the discovery of reusable circuit components tailored for specific hardware, bridging the gap between algorithmic design and practical implementation. This makes GRL a versatile framework for optimizing quantum circuits with applications in hardware-specific optimizations and variational quantum algorithms. The code is available at: https://github.com/Aqasch/Gadget_RL

Examining Drug-Drug Interactions (DDIs) is a pivotal element in the process of drug development. DDIs occur when one drug's properties are affected by the inclusion of other drugs. Detecting favorable DDIs has the potential to pave the way for creating and advancing innovative medications applicable in practical settings. However, existing DDI prediction models continue to face challenges related to generalization in extreme cases, robust feature extraction, and real-life application possibilities. We aim to address these challenges by leveraging the effectiveness of context-aware deep graph learning by introducing a novel framework named CADGL. Based on a customized variational graph autoencoder (VGAE), we capture critical structural and physio-chemical information using two context preprocessors for feature extraction from two different perspectives: local neighborhood and molecular context, in a heterogeneous graphical structure. Our customized VGAE consists of a graph encoder, a latent information encoder, and an MLP decoder. CADGL surpasses other state-of-the-art DDI prediction models, excelling in predicting clinically valuable novel DDIs, supported by rigorous case studies.

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

Styled Handwritten Text Generation (HTG) has recently received attention from the computer vision and document analysis communities, which have developed several solutions, either GAN- or diffusion-based, that achieved promising results. Nonetheless, these strategies fail to generalize to novel styles and have technical constraints, particularly in terms of maximum output length and training efficiency. To overcome these limitations, in this work, we propose a novel framework for text image generation, dubbed Emuru. Our approach leverages a powerful text image representation model (a variational autoencoder) combined with an autoregressive Transformer. Our approach enables the generation of styled text images conditioned on textual content and style examples, such as specific fonts or handwriting styles. We train our model solely on a diverse, synthetic dataset of English text rendered in over 100,000 typewritten and calligraphy fonts, which gives it the capability to reproduce unseen styles (both fonts and users' handwriting) in zero-shot. To the best of our knowledge, Emuru is the first autoregressive model for HTG, and the first designed specifically for generalization to novel styles. Moreover, our model generates images without background artifacts, which are easier to use for downstream applications. Extensive evaluation on both typewritten and handwritten, any-length text image generation scenarios demonstrates the effectiveness of our approach.

Knowledge distillation (KD) is a simple and successful method to transfer knowledge from a teacher to a student model solely based on functional activity. However, current KD has a few shortcomings: it has recently been shown that this method is unsuitable to transfer simple inductive biases like shift equivariance, struggles to transfer out of domain generalization, and optimization time is magnitudes longer compared to default non-KD model training. To improve these aspects of KD, we propose Hard Augmentations for Robust Distillation (HARD), a generally applicable data augmentation framework, that generates synthetic data points for which the teacher and the student disagree. We show in a simple toy example that our augmentation framework solves the problem of transferring simple equivariances with KD. We then apply our framework in real-world tasks for a variety of augmentation models, ranging from simple spatial transformations to unconstrained image manipulations with a pretrained variational autoencoder. We find that our learned augmentations significantly improve KD performance on in-domain and out-of-domain evaluation. Moreover, our method outperforms even state-of-the-art data augmentations and since the augmented training inputs can be visualized, they offer a qualitative insight into the properties that are transferred from the teacher to the student. Thus HARD represents a generally applicable, dynamically optimized data augmentation technique tailored to improve the generalization and convergence speed of models trained with KD.

Generating videos from text has proven to be a significant challenge for existing generative models. We tackle this problem by training a conditional generative model to extract both static and dynamic information from text. This is manifested in a hybrid framework, employing a Variational Autoencoder (VAE) and a Generative Adversarial Network (GAN). The static features, called "gist," are used to sketch text-conditioned background color and object layout structure. Dynamic features are considered by transforming input text into an image filter. To obtain a large amount of data for training the deep-learning model, we develop a method to automatically create a matched text-video corpus from publicly available online videos. Experimental results show that the proposed framework generates plausible and diverse videos, while accurately reflecting the input text information. It significantly outperforms baseline models that directly adapt text-to-image generation procedures to produce videos. Performance is evaluated both visually and by adapting the inception score used to evaluate image generation in GANs.

Generating high-fidelity, seamless textures directly on 3D surfaces, what we term 3D-native texturing, remains a fundamental open challenge, with the potential to overcome long-standing limitations of UV-based and multi-view projection methods. However, existing native approaches are constrained by the absence of a powerful and versatile latent representation, which severely limits the fidelity and generality of their generated textures. We identify this representation gap as the principal barrier to further progress. We introduce LaFiTe, a framework that addresses this challenge by learning to generate textures as a 3D generative sparse latent color field. At its core, LaFiTe employs a variational autoencoder (VAE) to encode complex surface appearance into a sparse, structured latent space, which is subsequently decoded into a continuous color field. This representation achieves unprecedented fidelity, exceeding state-of-the-art methods by >10 dB PSNR in reconstruction, by effectively disentangling texture appearance from mesh topology and UV parameterization. Building upon this strong representation, a conditional rectified-flow model synthesizes high-quality, coherent textures across diverse styles and geometries. Extensive experiments demonstrate that LaFiTe not only sets a new benchmark for 3D-native texturing but also enables flexible downstream applications such as material synthesis and texture super-resolution, paving the way for the next generation of 3D content creation workflows.

In Decentralized Multi-Agent Reinforcement Learning (MARL), the development of Emergent Communication has long been constrained by the ``Joint Exploration Dilemma'', leading agents to fall into a ``Communication Vacuum Equilibrium'' . Traditional methods address this by introducing inductive biases to facilitate communication emergence . This study fundamentally questions whether such artificial inductive biases are, in fact, over-engineering. Through experiments with the ``AI Mother Tongue'' (AIM) framework, based on a Vector Quantized Variational Autoencoder (VQ-VAE), we demonstrate that when agents possess an endogenous symbol system, their neural representations naturally exhibit spontaneous semantic compression and Nash equilibrium-driven semantic convergence, achieving effective symbolic communication without external inductive biases. This aligns with recent neuroscience findings suggesting that the human brain does not directly use human language for internal thought , and resonates with research on ``soft thinking'' capabilities in Large Language Models (LLMs) . Compared to traditional explicit communication methods, AIM demonstrates stronger generality and efficiency. The interpretable analysis toolkit developed in this study confirms that symbol usage exhibits a significant power-law distribution, leading to three major theoretical insights: the ``Neural Communication Hypothesis'', the ``Tool-First Principle'', and the ``Semantic Interpretability Paradigm''. Future research will explore the integration of Hierarchical Quantized Variational Autoencoders (HQ-VAE) to enhance AIM's complex expressive capabilities and investigate the potential for ``Reinforcement Learning (RL) Low-Level Pre-training''. This discovery offers new avenues for bridging symbolism and connectionism.

Latent Gaussian process (GP) models are widely used in neuroscience to uncover hidden state evolutions from sequential observations, mainly in neural activity recordings. While latent GP models provide a principled and powerful solution in theory, the intractable posterior in non-conjugate settings necessitates approximate inference schemes, which may lack scalability. In this work, we propose cvHM, a general inference framework for latent GP models leveraging Hida-Mat\'ern kernels and conjugate computation variational inference (CVI). With cvHM, we are able to perform variational inference of latent neural trajectories with linear time complexity for arbitrary likelihoods. The reparameterization of stationary kernels using Hida-Mat\'ern GPs helps us connect the latent variable models that encode prior assumptions through dynamical systems to those that encode trajectory assumptions through GPs. In contrast to previous work, we use bidirectional information filtering, leading to a more concise implementation. Furthermore, we employ the Whittle approximate likelihood to achieve highly efficient hyperparameter learning.

Responses generated by neural conversational models tend to lack informativeness and diversity. We present Adversarial Information Maximization (AIM), an adversarial learning strategy that addresses these two related but distinct problems. To foster response diversity, we leverage adversarial training that allows distributional matching of synthetic and real responses. To improve informativeness, our framework explicitly optimizes a variational lower bound on pairwise mutual information between query and response. Empirical results from automatic and human evaluations demonstrate that our methods significantly boost informativeness and diversity.

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

Probabilistic graphical models are traditionally known for their successes in generative modeling. In this work, we advocate layered graphical models (LGMs) for probabilistic discriminative learning. To this end, we design LGMs in close analogy to neural networks (NNs), that is, they have deep hierarchical structures and convolutional or local connections between layers. Equipped with tensorized truncated variational inference, our LGMs can be efficiently trained via backpropagation on mainstream deep learning frameworks such as PyTorch. To deal with continuous valued inputs, we use a simple yet effective soft-clamping strategy for efficient inference. Through extensive experiments on image classification over MNIST and FashionMNIST datasets, we demonstrate that LGMs are capable of achieving competitive results comparable to NNs of similar architectures, while preserving transparent probabilistic modeling.