Long-term non-uniform motion poses a significant challenge for feed-forward Novel View Synthesis (\textbf{NVS}), as it requires modeling higher-order motion, such as acceleration. Existing methods primarily rely on deformation fields or scene flow, which are limited to first-order approximations. Due to neglecting higher-order motion representations and supervision, these approaches suffer from long-term non-uniform motion scenarios. Inspired by Taylor’s theorem, we propose Taylor-Gaussians-Flow (\textbf{TGsF}) to represent and supervise non-uniform motion through first-order and second-order motion components. TGsF comprises two key modules: Taylor-Gaussians (\textbf{TGs}) and Taylor-Gaussians-Flow (\textbf{TGs-Flow}). TGs represent motion using Gaussian means with a quadratic temporal term and time-dependent opacity. Unlike previous methods, TGs-Flow decouples scene-flow supervision into separate depth and 2D optical-flow constraints. This approach effectively mitigates error propagation from either depth or motion estimation while circumventing the scarcity of labeled scene flow data. Guided by the above analysis, we develop the Feed-Forward Taylor-Gaussians-Flow (\textbf{FF-TGsF}) framework, which sets a new state-of-the-art on four dynamic benchmarks.
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Reinforcement Learning · Batch/Offline
Offline meta-reinforcement learning (meta-RL) aims to train agents that can generalize to unseen tasks using pre-collected data from related tasks. Recent approaches leverage the scalability of transformer architectures to model behavior sequences and support task adaptation using target task demonstrations. However, such data is often unavailable in real-world settings, where the task objective may be known but cannot be easily demonstrated. In contrast, humans routinely interpret and perform new tasks based solely on natural language instructions. In this work, we explore the potential of using natural language task descriptions to enable zero-shot task adaptation in offline meta-RL without requiring any data from the target task. We propose the Text-Guided Decision Transformer (TG-DT), a framework that enables zero-shot generalization by grounding policy learning in natural language. TG-DT learns a shared embedding space between task descriptions and behavioral trajectories via a dual contrastive and matching-based objective, ensuring robust alignment. A transformer-based policy is then conditioned on these aligned representations to generate task-appropriate actions. At test time, TG-DT synthesizes policies for unseen tasks using only their text descriptions and can optionally leverage a description-guided data sharing strategy to enhance adaptation. Experiments on standard offline meta-RL benchmarks, including MuJoCo and Meta-World, demonstrate that TG-DT achieves strong generalization to unseen tasks.
General Machine Learning · Evaluation
Driven by recent advancements in tool-augmented Large Language Model (LLM) agents, comprehensive benchmark datasets for evaluating these tool-augmented agents are being actively developed. Although these benchmarks incorporate increasingly complex user requests and a diverse array of tools, the evaluation methods for most of them remain limited to answer matching. However, as the number of steps required to resolve a user request increases, a proper evaluation of an agent's performance must go beyond the final answer to also assess the problem-solving trajectory, including previously ignored aspects such as efficiency, hallucinations, and adaptivity. The most straightforward method for evaluating these aspects is to compare the trajectory of the agent with a ground-truth trajectory, but this approach is fundamentally limited since annotating all possible ground-truth trajectories is prohibitively expensive. To address these significant gaps, we introduce TRACE, a framework for the multi-dimensional evaluation of tool-augmented LLM agent performance. By incorporating evidence store, TRACE enables a multi-faceted analysis and evaluation of an agent's reasoning trajectory, eliminating the need for a predefined ground-truth trajectory. To validate our framework, we develop a new meta-evaluation dataset by augmenting existing benchmarks with diverse and flawed trajectories, each labeled with multi-faceted performance scores. Our results confirm that TRACE accurately evaluates these complex behaviors in a scalable and cost-effective manner, even with small open-source LLMs.
This paper challenges the dominance of continuous pipelines in visual generation. We systematically investigate the performance gap between discrete and continuous methods. Contrary to the belief that discrete tokenizers are intrinsically inferior, we demonstrate that the disparity arises primarily from the total number of bits allocated in the latent space (i.e., the compression ratio). We show that scaling up the codebook size effectively bridges this gap, allowing discrete tokenizers to match or surpass their continuous counterparts. However, existing discrete generation methods struggle to capitalize on this insight, suffering from performance degradation or prohibitive training costs with scaled codebook. To address this, we propose masked **B**it **A**uto**R**egressive modeling (**BAR**), a scalable framework that supports arbitrary codebook sizes. By equipping an autoregressive transformer with a masked bit modeling head, BAR predicts discrete tokens through progressively generating their constituent bits. BAR achieves a new state-of-the-art gFID of **0.99** on ImageNet-256, outperforming leading methods across both continuous and discrete paradigms, while significantly reducing sampling costs and converging faster than prior continuous approaches.
Deep Learning · Theory
We present an online, distribution-free framework for controlling the Conditional Value-at-Risk ($\operatorname{CVaR}$), extending conformal tail risk control to non-stationary and adversarial environments. Unlike classical risk control methods, which rely on stationarity or linearity of expectation, our approach provides provable safety guarantees for a nonlinear tail risk functional under arbitrary data generating processes that may drift or shift strategically over time. By leveraging deep connections between conformal tail risk control, parameter-free online learning, and the variational representation of $\operatorname{CVaR}$ introduced by Rockafellar and Uryasev, we develop a novel procedure for online $\operatorname{CVaR}$ control with adversarial regret guarantees. The proposed method operates without assumptions on the underlying data-generating process, making it broadly applicable in modern high-stakes deployment settings. We prove that the realized empirical $\operatorname{CVaR}$ is always controlled at the target level, and that the resulting control is asymptotically tight up to a vanishing $\tilde{O}(1/\sqrt{T})$ conservatism gap. We demonstrate the effectiveness of our approach on portfolio risk management and toxicity mitigation for Large Language Models (LLMs), where rare but catastrophic failures dominate system risk.
General Machine Learning · Causality
Many decision-making problems require ranking individuals by their treatment effects rather than estimating the exact effect magnitudes. Examples include prioritizing patients for preventive care interventions, or ranking customers by the expected incremental impact of an advertisement. Surprisingly, while causal effect estimation has received substantial attention in the literature, the problem of directly learning *rankings of treatment effects* has largely remained unexplored. In this paper, we introduce *Rank-Learner*, a novel two-stage learner that directly learns the ranking of treatment effects from observational data. We first show that naive approaches based on precise treatment effect estimation solve a harder problem than necessary for ranking, while our *Rank-Learner* optimizes a pairwise learning objective that recovers the true treatment effect ordering, without explicit CATE estimation. We further show that our *Rank-Learner* is Neyman-orthogonal and thus comes with strong theoretical guarantees, including robustness to estimation errors in the nuisance functions. In addition, our *Rank-Learner* is model-agnostic, and can be instantiated with arbitrary machine learning models (e.g., neural networks). We demonstrate the effectiveness of our method through extensive experiments where *Rank-Learner* consistently outperforms standard CATE estimators and non-orthogonal ranking methods. Overall, we provide practitioners with a new, orthogonal two-stage learner for ranking individuals by their treatment effects.
Deep Learning · Graph Neural Networks
Graph Neural Networks (GNNs) have revolutionized Neural Force Fields for atomistic simulations, achieving near-quantum accuracy at reduced cost, yet adapting these models to new chemical systems requires expensive retraining of foundation models. Inspired by model merging in vision and language processing, we introduce GFFMERGE, the first principled framework for closed-form model merging in GNNs. We exploit the linear structure of message-passing layers and formulate merging as a convex embedding-alignment problem with an analytical solution. Through the first systematic benchmarking of model merging for GNNs, we show that existing methods designed for vision and language catastrophically fail on force field regression, while GFFMERGE recovers performance approaching gold standard joint training. Across molecular (MD17, MD22), solid-state (LiPS20), and large-scale graph benchmarks, GFFMERGE and GNNMERGE (its generic GNN counterpart) achieve 5-27$\times$ speedups while enabling modular composition of specialized models. Remarkably, our closed-form solution alone outperforms all baseline methods before fine-tuning and provides superior initialization for faster, data-efficient convergence.
Deep Learning · Self-Supervised Learning
Joint-Embedding Predictive Architectures (JEPA) learn view-invariant representations and admit projection-based distribution matching for collapse preventions. Existing approaches regularize representations towards isotropic Gaussian distributions, but inherently favor dense representations and fail to capture the key property of sparsity observed in efficient representations. We introduce Rectified Distribution Matching Regularization (RDMReg), a sliced two-sample distribution-matching loss that aligns representations to a Rectified Generalized Gaussian (RGG) distribution. RGG enables explicit control over expected $\ell_p$ norms and induces $\ell_0$ sparsity through rectifications, while preserving maximum entropy up to rescaling under sparsity constraints. Equipping JEPAs with RDMReg yields Rectified LpJEPA, which strictly generalizes prior Gaussian-based JEPAs. Empirically, Rectified LpJEPA learns sparse, non-negative representations with favorable sparsity–performance trade-offs and competitive downstream performance on image classification benchmarks, demonstrating that RDMReg effectively enforces sparsity while preserving task-relevant information.
General Machine Learning · Transfer, Multitask and Meta-learning
Bayesian predictive inference provides a principled framework for uncertainty quantification, data efficiency, and robust generalization. However, exact inference is often intractable, and scalable approximations may remain computationally expensive or require restrictive modeling assumptions that degrade predictive performance. Prior-Data Fitted and in-context learning networks have recently emerged as an amortized alternative by learning to map datasets directly to predictive distributions, but existing approaches are tightly coupled to the support of the training prior and lack explicit mechanisms for adapting to new priors at test time, resulting in limited robustness under distribution shift. We introduce a multi-task in-context learning framework for amortized hierarchical Bayesian predictive inference that explicitly represents prior information as a prefix of in-context datasets. A transformer trained on sequences of prior and target tasks learns to adapt its predictions across families of priors. On a suite of evaluations with increasing difficulty, including out-of-meta-distribution heavy-tailed priors and priors with high-dimensional latent structures, our method matches oracle Bayesian predictors while being orders of magnitude faster.
Deep Learning · Generative Models and Autoencoders
Autoregressive (AR) modeling has recently emerged as a promising new paradigm in visual generation, but its practical adoption is severely constrained by the slow inference speed of per-token generation, which often requires thousands of steps to produce a single sample. While several Speculative Decoding (SD)-based methods have been proposed to solve this problem by generating multiple tokens in a single forward step, they suffer from limited speedup, degraded quality, or require the training of a draft model. To solve these problems, we propose a new training-free, lossless SD framework, Speculative Coupled Decoding (SCD), by extending the recently proposed Speculative Jacobi Decoding (SJD). While SJD shows strong potential for accelerating AR generation by combining Jacobi iteration and SD, we found that its acceptance rate is still significantly limited due to the instability arising from the independent sampling process used during draft token generation. To overcome this, we introduce an information-theoretic approach, Coupling, which stabilizes the drafting trajectory of SJD by maximizing the probability of sampling identical draft tokens across consecutive iterations, significantly enhancing the acceptance rate while preserving its lossless property. Remarkably, this method requires only a single-line modification to the existing algorithm with almost zero overhead, yet achieves substantial performance gains, delivering up to a 4.2× speedup in image generation and 13.6× speedup in video generation compared to standard AR decoding, without any degradation or the need for additional training.
Applications · Computer Vision
Leveraging Large Vision-Language Models like CLIP has recently set new benchmarks for No-Reference Image Quality Assessment (NR-IQA). However, the contrastive pretraining of CLIP inherently prioritizes semantic invariance, which often suppresses subtle perceptual signals, a phenomenon we term perceptual submergence. Furthermore, standard preprocessing techniques (e.g., cropping and interpolation) further exacerbate the loss of critical high-frequency quality cues. In this paper, we propose the Cross-modal Perception Alignment Adapter (CMPA), a manifold-aware framework designed to disentangle perceptual distortions from dominant semantics. CMPA introduces a Perception-Sensitive Feature Extractor (PFE) that projects CLIP features into a compact, low-dimensional subspace, explicitly magnifying distortion-induced off-manifold deviations. Subsequently, a Cross-Modal Perception Alignment Injector (PAI) aligns these features with quality-aware text anchors and re-injects them into the backbone. To ensure input fidelity, we also devise a Residual-enhanced Perceptual Downscaling strategy that adaptively compensates for resolution-induced information loss using Just Noticeable Difference (JND) guided frequency re-injection. Extensive evaluations on several benchmark datasets demonstrate that our approach significantly outperforms state-of-the-art methods, effectively recovering the perceptual signals submerged in semantic-dense representations.
Deep Learning · Large Language Models
The Automated Design of Multi-Agent Systems (Auto-MAS) has emerged as a promising framework for addressing complex reasoning tasks. However, existing approaches often suffer from structural rigidity and entangle the design of system topology with the implementation of individual agents. To overcome these limitations, we propose MAS-Architect, a framework that automates MAS design through a novel code-based declarative MAS paradigm rooted in the \textit{Separation of Concerns} principle. By decoupling topology planning from node implementation via a unified interface, our approach enables the from-scratch generation of task-adaptive architectures. We further employ a \textit{Distill-then-Explore} training strategy to optimize these designs. Comprehensive experiments on five benchmarks show that MAS-Architect sets a new Pareto frontier in the efficiency–performance trade-off: it surpasses state-of-the-art methods while substantially lowering token usage. Notably, the framework achieves a strong average accuracy of 78.7\% across benchmarks with an inference cost of only 2,533 tokens per query. Qualitative analysis reveals the autonomous emergence of advanced collaboration patterns, validating the generative flexibility of the declarative paradigm. Code and data will be released.
Deep Learning · Graph Neural Networks
High-quality molecular representations are essential for property prediction and molecular design, yet large labeled datasets remain scarce. While self-supervised pretraining on molecular graphs has shown promise, many existing approaches either depend on hand-crafted augmentations or complex generative objectives, and often rely solely on 2D topology, leaving valuable 3D structural information underutilized. To address this gap, we introduce C-FREE (**C**ontrast-**F**ree **R**epresentation learning on **E**go-n**e**ts), a simple framework that integrates 2D graphs with ensembles of 3D conformers. C-FREE learns molecular representations by predicting subgraph embeddings from their complementary neighborhoods in the latent space, using fixed-radius ego-nets as modeling units across different conformers. This design allows us to integrate both geometric and topological information within a hybrid Graph Neural Network (GNN)-Transformer backbone, without negatives, positional encodings, or expensive pre-processing. Pretraining on the GEOM dataset, which provides rich 3D conformational diversity, C-FREE achieves state-of-the-art results on MoleculeNet, surpassing contrastive, generative, and other multimodal self-supervised methods. Fine-tuning across datasets with diverse sizes and molecule types further demonstrates that pretraining transfers effectively to new chemical domains, highlighting the importance of 3D-informed molecular representations.
Deep Learning · Large Language Models
While recent multimodal large language models (MLLMs) have made impressive strides, they mostly employ a conventional autoregressive architecture as their backbone, leaving significant room for exploring effective and efficient alternatives in architectural design. Meanwhile, recent studies have successfully applied discrete diffusion models to natural language processing, revealing their considerable potential as a promising new approach in this domain. Drawing inspiration from these pioneering researches, we introduce Any-Diffusion, the first any-to-any multimodal language model built purely on mask-based discrete diffusion models, which unifies understanding and generation across text, speech, and images. Any-Diffusion employs a unified mask-based discrete diffusion model to directly capture the joint distribution over discrete multimodal tokens. This approach enables support for not only bimodal tasks but also more complex scenarios involving multiple modalities. On a diverse set of benchmarks, our method outperforms or performs on par with existing multimodal systems that process two or more modalities, highlighting the significant promise of diffusion models in powering the next generation of multimodal foundation models.
Deep Learning · Large Language Models
Large language models (LLMs) have achieved remarkable success, but their rapidly growing scale imposes prohibitive costs in memory, computation, and energy. Post-training quantization (PTQ) is a promising solution for efficient deployment, yet achieving accurate W4A4 quantization remains an open challenge. While most existing methods are designed for INT4 formats, the emergence of MXFP4—a new FP4 format with various hardware support (NVIDIA, AMD, Intel)—raises questions about the applicability of current techniques. In this work, we establish a comprehensive benchmark of PTQ methods under the MXFP4 format. Through systematic evaluation, we find that methods like GPTQ consistently deliver strong performance, whereas rotation-based approaches, which are almost used by all state-of-the-art approaches, suffer from severe incompatibility with MXFP4. We further provide the first in-depth analysis of this conflict, tracing its root to a fundamental mismatch between MXFP4’s PoT (power-of-two) block scaling and the redistribution of outlier energy via global rotation. Building on this insight, we propose a simple yet effective block rotation strategy that adapts rotation-based methods to MXFP4, leading to substantial accuracy improvements across diverse LLMs. Our findings not only offer clear guidance for practitioners but also set a foundation for advancing PTQ research under emerging low-precision formats.
General Machine Learning · Unsupervised and Semi-supervised Learning
The goal of single-channel source separation is to reconstruct $K$ sources given their mixture. In supervised settings where vast amounts of clean source data are available, this challenging, ill-posed problem has been addressed successfully by generative diffusion and flow-based prior models. However, access to such clean source samples is often limited. To bridge this gap, we present Separation via Unsupervised Remixing Flow (\textbf{SURF}), an unsupervised flow matching approach for source separation that learns directly from observed mixtures. This method relies on a novel combination of state-of-the-art supervised flow matching and regression-based self-supervised techniques. At a high level, starting from a teacher model, we utilize a ``remixing'' step to bootstrap the learning of a student flow model from the teacher's estimates. We provide insights into the objectives optimized by this approach and draw a novel connection to the Wake-Sleep algorithm. Empirical evaluations on image and audio benchmarks demonstrate that \textbf{SURF} establishes a new state-of-the-art, significantly outperforming existing unsupervised methods.
Deep Learning · Generative Models and Autoencoders
Training-free diffusion guidance offers a flexible framework for leveraging off-the-shelf classifiers without additional training. Yet, current approaches hinge on posterior approximations via Tweedie’s formula, which often yield unreliable guidance, particularly in low-density regions. Stochastic optimal control (SOC), in contrast, enables principled posterior sampling but remains computationally prohibitive for efficient inference. In this work, we reconcile the strengths of these paradigms by introducing Stein Diffusion Guidance (SDG), a novel training-free framework grounded in a surrogate SOC objective. We establish a new theoretical bound on the SOC value function, revealing the necessity of correcting approximate posteriors to reflect true diffusion dynamics. Building on Stein variational inference, SDG computes the steepest descent direction that minimizes the Kullback-Leibler divergence between approximate and true posteriors. By integrating a principled Stein correction mechanism along with a novel running cost functional, SDG enables effective guidance in low-density regions. Our experiments on diverse image-guidance tasks and on challenging small-ligand sampling for protein docking suggest that SDG consistently outperforms standard training-free guidance methods and highlights its potential for broader posterior sampling problems beyond high-density regimes.
Deep Learning · Sequential Models, Time series
Stochastic differential equations (SDEs) and stochastic partial differential equations (SPDEs) are fundamental for modeling stochastic dynamics across the natural sciences and modern machine learning. Learning their solution operators with deep learning models promises fast solvers and new perspectives on classical learning tasks. In this work, we build on Wiener–chaos expansions (WCE) to design neural operator (NO) architectures for SDEs and SPDEs: we project driving noise paths onto orthonormal Wick–Hermite features and use NOs to parameterize the resulting chaos coefficients, enabling reconstruction of full trajectories from noise in a single forward pass. We also make the underlying WCE structure explicit for multi-dimensional SDEs and semilinear SPDEs by showing the coupled deterministic ODE/PDE systems governing these coefficients. Empirically, we achieve competitive accuracy across several tasks, including standard SPDE benchmarks and SDE-based diffusion one-step image sampling, topological graph interpolation, financial extrapolation, parameter estimation, and manifold SDE flood forecasting. These results suggest WCE-based neural operators are a practical and scalable approach to learning SDE/SPDE solution operators across domains.
Deep Learning · Graph Neural Networks
Message-passing neural networks (MPNNs) often suffer from an information bottleneck when capturing long-range dependencies, leading to the oversquashing (OSQ) phenomenon. Alongside spatial connectivity enrichment (e.g., rewiring), recent studies have shown that spectral filtering can yield strong long-range learning outcomes, as spectral operators enable global information mixing that alleviates OSQ. These approaches achieve this either by stabilizing the Jacobian energies in deep propagation or by guaranteeing OSQ mitigation under strong theoretical assumptions. We revisit these conclusions and show that the associated Jacobian sensitivity lower bound is generally difficult to achieve in practice. We then propose S$^3$GNN, which mitigates OSQ without such restrictive assumptions by lightweightly reintroducing omitted components with substantially lower computational complexity, while standard stability constraints on feature transformations remain effective under our new dynamics. Extensive experiments across diverse domains (e.g., long-range benchmarks, KGQA, and mesh-based fluid dynamics) demonstrate that S$^3$GNN achieves up to an order-of-magnitude error reduction with up to 50\% fewer parameters. Our code can be found in https://anonymous.4open.science/r/S3GNN-2359.
Reinforcement Learning · Planning
World models simulate environment dynamics from raw sensory inputs like video. However, using them for planning can be challenging due to the vast and unstructured search space. We propose a robust and highly parallelizable planner that leverages the differentiability of the learned world model for efficient optimization, solving long-horizon control tasks from visual input. Our method treats states as optimization variables ("virtual states") with soft dynamics constraints, enabling parallel computation and easier optimization. To facilitate exploration and avoid local optima, we introduce stochasticity into the states. To mitigate sensitive gradients through high-dimensional vision-based world models, we modify the gradient structure to descend towards valid plans while only requiring action-input gradients. Our approach can be viewed as a stochastic version of a non-condensed or collocation-based optimal controller. We provide theoretical justification and experiments on video-based world models, where our resulting planner outperforms existing planning algorithms like the cross-entropy method (CEM) and vanilla gradient-based optimization (GD) on long-horizon experiments, both in success rate and time to convergence.