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General Machine Learning · Everything Else

Duong Nguyen, Nghia Hoang, Thanh Trung Huynh, Quoc Viet Hung Nguyen, Phi Le Nguyen

Multimodal federated learning in real-world settings often encounters incomplete and heterogeneous data across clients. This results in misaligned local feature representations that limit the effectiveness of model aggregation. Unlike prior work that assumes either differing modality sets without missing input features or a shared modality set with missing features across clients, we consider a more general and realistic setting where each client observes a different subset of modalities and might also have missing input features within each modality. To address the resulting misalignment in learned representations, we propose a new federated learning framework featuring locally adaptive representations based on learnable client-side embedding controls that encode each client’s data-missing patterns. These embeddings serve as reconfiguration signals that align the globally aggregated representation with each client's local context, enabling more effective use of shared information. Furthermore, the embedding controls can be algorithmically aggregated across clients with similar data-missing patterns to enhance the robustness of reconfiguration signals in adapting the global representation. Empirical results on multiple federated multimodal benchmarks with diverse data-missing patterns across clients demonstrate the efficacy of the proposed method, achieving up to 36.45\% performance improvement under severe data incompleteness. The method is also supported by a theoretical analysis with an explicit performance bound that matches our empirical observations. Our source codes are provided at [https://github.com/nmduonggg/PEPSY](https://github.com/nmduonggg/PEPSY)

Optimization · Stochastic & Convex Optimization

Haocheng Luo, Mehrtash Harandi, Dinh Phung, Trung Le

Sharpness‐aware minimization (SAM) has emerged as a highly effective technique for improving model generalization, but its underlying principles are not fully understood. We investigated the phenomenon known as m-sharpness, where the performance of SAM improves monotonically as the micro-batch size for computing perturbations decreases. In practice, the empirical m-sharpness effect underpins the deployment of SAM in distributed training, yet a rigorous theoretical account has remained lacking. To provide a theoretical explanation for m-sharpness, we leverage an extended Stochastic Differential Equation (SDE) framework and analyze the structure of stochastic gradient noise (SGN) to characterize the dynamics of various SAM variants, including n-SAM and m-SAM. Our findings reveal that the stochastic noise introduced during SAM perturbations inherently induces a variance-based sharpness regularization effect. Motivated by our theoretical insights, we introduce Reweighted SAM (RW-SAM), which employs sharpness-weighted sampling to mimic the generalization benefits of m-SAM while remaining parallelizable. Comprehensive experiments validate the effectiveness of our theoretical analysis and proposed method.

Optimization · Stochastic & Convex Optimization

Khanh-Hung (Bruce) Giang-Tran, Soroosh Shafiee, Nam Ho-Nguyen

We propose efficient methods for solving stochastic simple bilevel optimization problems with convex inner levels, where the goal is to minimize an outer stochastic objective function subject to the solution set of an inner stochastic optimization problem. Existing methods often rely on costly projection or linear optimization oracles over complex sets, limiting their scalability. To overcome this, we propose an iteratively regularized conditional gradient approach that leverages linear optimization oracles exclusively over the base feasible set. Our proposed methods employ a vanishing regularization sequence that progressively emphasizes the inner problem while biasing towards desirable minimal outer objective solutions. In the one-sample stochastic setting and under standard convexity assumptions, we establish non-asymptotic convergence rates of $O(t^{-1/4})$ for both the outer and inner objectives. In the finite-sum setting with a mini-batch scheme, the corresponding rates become $O(t^{-1/2})$. When the outer objective is nonconvex, we prove non-asymptotic convergence rates of $O(t^{-1/7})$ for both the outer and inner objectives in the one-sample stochastic setting, and $O(t^{-1/4})$ in the finite-sum setting. Experimental results on over-parametrized regression and dictionary learning tasks demonstrate the practical advantages of our approach over existing methods, confirming our theoretical findings.

Optimization · Neural Network Optimization

Thomas Pethick, Wanyun Xie, Mete Erdogan, Kimon Antonakopoulos, Antonio Silveti-Falls, Volkan Cevher

This work introduces a hybrid non-Euclidean optimization method which generalizes gradient norm clipping by combining steepest descent and conditional gradient approaches. The method achieves the best of both worlds by establishing a descent property under a generalized notion of ($L_0$,$L_1$)-smoothness. Weight decay is incorporated in a principled manner by identifying a connection to the Frank-Wolfe short step. In the stochastic case, we show an order optimal $O(n^{-1/4})$ convergence rate by leveraging a momentum based gradient estimator. We discuss how to instantiate the algorithms for deep learning, which we dub Clipped Scion, and demonstrate their properties on image classification and language modeling. The code is available at https://github.com/LIONS-EPFL/ClippedScion.

Computer Vision · Vision Models & Multimodal

Zhida Zhao, Talas Fu, Yifan Wang, Lijun Wang, Huchuan Lu

Despite remarkable progress in driving world models, their potential for autonomous systems remains largely untapped: the world models are mostly learned for world simulation and decoupled from trajectory planning. While recent efforts aim to unify world modeling and planning in a single framework, the synergistic facilitation mechanism of world modeling for planning still requires further exploration. In this work, we introduce a new driving paradigm named Policy World Model (PWM), which not only integrates world modeling and trajectory planning within a unified architecture, but is also able to benefit planning using the learned world knowledge through the proposed action-free future state forecasting scheme. Through collaborative state-action prediction, PWM can mimic the human-like anticipatory perception, yielding more reliable planning performance. To facilitate the efficiency of video forecasting, we further introduce a parallel token generation mechanism, equipped with a context-guided tokenizer and an adaptive dynamic focal loss. Despite utilizing only front camera input, our method matches or exceeds state-of-the-art approaches that rely on multi-view and multi-modal inputs. Code will be released at https://github.com/6550Zhao/Policy-World-Model.

Applications · Language, Speech and Dialog

Abdou Karim KANDJI, Frederic Precioso, Cheikh BA, Samba NDIAYE, Augustin NDIONE

Intent classification models have made a significant progress in recent years. However, previous studies primarily focus on high-resource language datasets, which results in a gap for low-resource languages and for regions with high rates of illiteracy, where languages are more spoken than read or written. This is the case in Senegal, for example, where Wolof is spoken by around 90\% of the population, while the national illiteracy rate remains at of 42\%. Wolof is actually spoken by more than 10 million people in West African region. To address these limitations, we introduce the Wolof Banking Speech Intent Classification Dataset (WolBanking77), for academic research in intent classification. WolBanking77 currently contains 9,791 text sentences in the banking domain and more than 4 hours of spoken sentences. Experiments on various baselines are conducted in this work, including text and voice state-of-the-art models. The results are very promising on this current dataset. In addition, this paper presents an in-depth examination of the dataset’s contents. We report baseline F1-scores and word error rates metrics respectively on NLP and ASR models trained on WolBanking77 dataset and also comparisons between models. Dataset and code available at: [wolbanking77](https://github.com/abdoukarim/wolbanking77).

Probabilistic Methods

Timo Löhr, Paul Hofman, Felix Mohr, Eyke Hüllermeier

Predictions in the form of sets of probability distributions, so-called credal sets, provide a suitable means to represent a learner's epistemic uncertainty. In this paper, we propose a theoretically grounded approach to credal prediction based on the statistical notion of relative likelihood: The target of prediction is the set of all (conditional) probability distributions produced by the collection of plausible models, namely those models whose relative likelihood exceeds a specified threshold. This threshold has an intuitive interpretation and allows for controlling the trade-off between correctness and precision of credal predictions. We tackle the problem of approximating credal sets defined in this way by means of suitably modified ensemble learning techniques. To validate our approach, we illustrate its effectiveness by experiments on benchmark datasets demonstrating superior uncertainty representation without compromising predictive performance. We also compare our method against several state-of-the-art baselines in credal prediction.

Deep Learning · Generative Models and Autoencoders

Shigui Li, Wei Chen, Delu Zeng

Diffusion models (DMs) excel in image generation, but suffer from slow inference and the training-inference discrepancies. Although gradient-based solvers like DPM-Solver accelerate the denoising inference, they lack theoretical foundations in information transmission efficiency. In this work, we introduce an information-theoretic perspective on the inference processes of DMs, revealing that successful denoising fundamentally reduces conditional entropy in reverse transitions. This principle leads to our key insights into the inference processes: (1) data prediction parameterization outperforms its noise counterpart, and (2) optimizing conditional variance offers *a reference-free way* to minimize both transition and reconstruction errors. Based on these insights, we propose an entropy-aware variance optimized method for the generative process of DMs, called *EVODiff*, which systematically reduces uncertainty by optimizing conditional entropy during denoising. Extensive experiments on DMs validate our insights and demonstrate that our method significantly and consistently outperforms state-of-the-art (SOTA) gradient-based solvers. For example, compared to the DPM-Solver++, EVODiff reduces the reconstruction error by up to *45.5\%* (FID improves from 5.10 to 2.78) at 10 function evaluations (NFE) on CIFAR-10, cuts the NFE cost by *25\%* (from 20 to 15 NFE) for high-quality samples on ImageNet-256, and improves text-to-image generation while reducing artifacts. Code is available at https://github.com/ShiguiLi/EVODiff.

Gangwei Xu, Haotong Lin, Hongcheng Luo, Xianqi Wang, JINGFENG YAO, Lianghui Zhu, Yuechuan Pu, Cheng Chi_, Haiyang Sun, Bing Wang 等

This paper presents **Pixel-Perfect Depth**, a monocular depth estimation model based on pixel-space diffusion generation that produces high-quality, flying-pixel-free point clouds from estimated depth maps. Current generative depth estimation models fine-tune Stable Diffusion and achieve impressive performance. However, they require a VAE to compress depth maps into the latent space, which inevitably introduces flying pixels at edges and details. Our model addresses this challenge by directly performing diffusion generation in the pixel space, avoiding VAE-induced artifacts. To overcome the high complexity associated with pixel-space generation, we introduce two novel designs: 1) **Semantics-Prompted Diffusion Transformers** (**SP-DiT**), which incorporate semantic representations from vision foundation models into DiT to prompt the diffusion process, thereby preserving global semantic consistency while enhancing fine-grained visual details; and 2) **Cascade DiT Design** that progressively increases the number of tokens to further enhance efficiency and accuracy. Our model achieves the best performance among all published generative models across five benchmarks, and significantly outperforms all other models in edge-aware point cloud evaluation. Project page: https://pixel-perfect-depth.github.io/.

Probabilistic Methods

Brandon Feng, David Park, Xihaier Luo, Arantxa Urdangarin, Shinjae Yoo, Brian Reich

Fitting Gaussian Processes (GPs) provides interpretable aleatoric uncertainty quantification for estimation of spatio-temporal fields. Spatio-temporal deep learning models, while scalable, typically assume a simplistic independent covariance matrix for the response, failing to capture the underlying correlation structure. However, spatio-temporal GPs suffer from issues of scalability and various forms of approximation bias resulting from restrictive assumptions of the covariance kernel function. We propose STACI, a novel framework consisting of a variational Bayesian neural network approximation of non-stationary spatio-temporal GP along with a novel spatio-temporal conformal inference algorithm. STACI is highly scalable, taking advantage of GPU training capabilities for neural network models, and provides statistically valid prediction intervals for uncertainty quantification. STACI outperforms competing GPs and deep methods in accurately approximating spatio-temporal processes and we show it easily scales to datasets with millions of observations.

Deep Learning · Generative Models and Autoencoders

Yizhou Liu, Ziming Liu, Jeff Gore

The success of today's large language models (LLMs) depends on the observation that larger models perform better. However, the origin of this neural scaling law, that loss decreases as a power law with model size, remains unclear. We propose that representation superposition, meaning that LLMs represent more features than they have dimensions, can be a key contributor to loss and cause neural scaling. Based on Anthropic's toy model, we use weight decay to control the degree of superposition, allowing us to systematically study how loss scales with model size. When superposition is weak, the loss follows a power law only if data feature frequencies are power-law distributed. In contrast, under strong superposition, the loss generically scales inversely with model dimension across a broad class of frequency distributions, due to geometric overlaps between representation vectors. We confirmed that open-sourced LLMs operate in the strong superposition regime and have loss scaling inversely with model dimension, and that the Chinchilla scaling laws are also consistent with this behavior. Our results identify representation superposition as a central driver of neural scaling laws, providing insights into questions like when neural scaling laws can be improved and when they will break down.

Probabilistic Methods · Bayesian Models and Methods

Samuel Matthiesen, Hrittik Roy, Nicholas Krämer, Yevgen Zainchkovskyy, Stas Syrota, Alejandro Valverde Mahou, Carl Henrik Ek, Søren Hauberg

Variational mean field approximations tend to struggle with contemporary overparametrized deep neural networks. Where a Bayesian treatment is usually associated with high-quality predictions and uncertainties, the practical reality has been the opposite, with unstable training, poor predictive power, and subpar calibration. Building upon recent work on reparametrizations of neural networks, we propose a simple variational family that considers two independent linear subspaces of the parameter space. These represent functional changes inside and outside the support of training data. This allows us to build a fully-correlated approximate posterior reflecting the overparametrization that tunes easy-to-interpret hyperparameters. We develop scalable numerical routines that maximize the associated evidence lower bound (ELBO) and sample from the approximate posterior. Empirically, we observe state-of-the-art performance across tasks, models, and datasets compared to a wide array of baseline methods. Our results show that approximate Bayesian inference applied to deep neural networks is far from a lost cause when constructing inference mechanisms that reflect the geometry of reparametrizations.

Computer Vision · Vision Models & Multimodal

Longtian Qiu, Shan Ning, Jiaxuan Sun, Xuming He

Reinforcement learning (RL) has shown promise in enhancing the general Chain-of-Thought (CoT) reasoning capabilities of multimodal large language models (MLLMs). However, when applied to improve general CoT reasoning, existing RL frameworks often struggle to generalize beyond the training distribution. To address this, we propose NoisyGRPO, a systematic multimodal RL framework that introduces controllable noise into visual inputs for enhanced exploration and explicitly models the advantage estimation process via a Bayesian framework. Specifically, NoisyGRPO improves RL training by: (1) \textbf{Noise-Injected Exploration Policy}: Perturbing visual inputs with Gaussian noise to encourage exploration across a wider range of visual scenarios; and (2) \textbf{Bayesian Advantage Estimation}: Formulating advantage estimation as a principled Bayesian inference problem, where the injected noise level serves as a prior and the observed trajectory reward as the likelihood. This Bayesian modeling fuses both sources of information to compute a robust posterior estimate of trajectory advantage, effectively guiding MLLMs to prefer visually grounded trajectories over noisy ones. Experiments on standard CoT quality, general capability, and hallucination benchmarks demonstrate that NoisyGRPO substantially improves generalization and robustness, especially in RL settings with small-scale MLLMs such as Qwen2.5-VL 3B.

Social Aspects

Xuanming Zhang, Yuxuan Chen, Samuel (Min-Hsuan) Yeh, Sharon Li

Human social interactions depend on the ability to infer others' unspoken intentions, emotions, and beliefs—a cognitive skill grounded in the psychological concept of Theory of Mind (ToM). While large language models (LLMs) excel in semantic understanding tasks, they struggle with the ambiguity and contextual nuance inherent in human communication. To bridge this gap, we introduce **MetaMind**, a multi-agent framework inspired by psychological theories of metacognition, designed to emulate human-like social reasoning. MetaMind decomposes social understanding into three collaborative stages: (1) a *Theory-of-Mind Agent* generates hypotheses about user mental states (e.g., intent, emotion), (2) a *Moral Agent* refines these hypotheses using cultural norms and ethical constraints, and (3) a *Response Agent* generates contextually appropriate responses while validating alignment with inferred intent. Our framework achieves state-of-the-art performance across three challenging benchmarks, with 35.7% improvement in real-world social scenarios and 6.2% gain in ToM reasoning. Notably, it enables LLMs to match human-level performance on key ToM tasks for the first time. Ablation studies confirm the necessity of all components, which showcase the framework’s ability to balance contextual plausibility, social appropriateness, and user adaptation. This work advances AI systems toward human-like social intelligence, with applications in empathetic dialogue and culturally sensitive interactions. Code is available at https://github.com/XMZhangAI/MetaMind.

Applications · Robotics

Zhi Jing, Siyuan Yang, Jicong Ao, Ting Xiao, Yu-Gang Jiang, Chenjia Bai

For robotic manipulation, existing robotics datasets and simulation benchmarks predominantly cater to robot-arm platforms. However, for humanoid robots equipped with dual arms and dexterous hands, simulation tasks and high-quality demonstrations are notably lacking. Bimanual dexterous manipulation is inherently more complex, as it requires coordinated arm movements and hand operations, making autonomous data collection challenging. This paper presents HumanoidGen, an automated task creation and demonstration collection framework that leverages atomic dexterous operations and LLM reasoning to generate relational constraints. Specifically, we provide spatial annotations for both assets and dexterous hands based on the atomic operations, and perform an LLM planner to generate a chain of actionable spatial constraints for arm movements based on object affordances and scenes. To further improve planning ability, we employ a variant of Monte Carlo tree search to enhance LLM reasoning for long-horizon tasks and insufficient annotation. In experiments, we create a novel benchmark with augmented scenarios to evaluate the quality of the collected data. The results show that the performance of the 2D and 3D diffusion policies can scale with the generated dataset. Project page is https://openhumanoidgen.github.io.

Applications · Robotics

Xueyang Zhou, Guiyao Tie, Guowen Zhang, Hecheng Wang, Pan Zhou, Lichao Sun

Vision-Language-Action (VLA) models have advanced robotic control by enabling end-to-end decision-making directly from multimodal inputs. However, their tightly coupled architectures expose novel security vulnerabilities. Unlike traditional adversarial perturbations, backdoor attacks represent a stealthier, persistent, and practically significant threat—particularly under the emerging Training-as-a-Service paradigm—but remain largely unexplored in the context of VLA models. To address this gap, we propose **BadVLA**, a backdoor attack method based on Objective-Decoupled Optimization, which for the first time exposes the backdoor vulnerabilities of VLA models. Specifically, it consists of a two-stage process: (1) explicit feature-space separation to isolate trigger representations from benign inputs, and (2) conditional control deviations that activate only in the presence of the trigger, while preserving clean-task performance. Empirical results on multiple VLA benchmarks demonstrate that BadVLA consistently achieves near-100\% attack success rates with minimal impact on clean task accuracy. Further analyses confirm its robustness against common input perturbations, task transfers, and model fine-tuning, underscoring critical security vulnerabilities in current VLA deployments. Our work offers the first systematic investigation of backdoor vulnerabilities in VLA models, highlighting an urgent need for secure and trustworthy embodied model design practices.

Probabilistic Methods · Everything Else

Jaron Maene, Efthymia Tsamoura

The integration of logic programs with embedding models resulted in a class of neurosymbolic frameworks that jointly learn symbolic rules and representations for the symbols in the logic (constant or predicate). The key idea that enabled this integration was the differentiable relaxation of unification, the algorithm for variable instantiation during inference in logic programs. Unlike unification, its relaxed counterpart exploits the similarity between symbols in the embedding space to decide when two symbols are semantically equivalent. We show that this similarity between symbols violates the transitive law of equivalence, leading to undesirable side effects in learning and inference. To alleviate those side effects, we are the first to revamp the well-known possible world semantics of probabilistic logic programs into new semantics called equivalence semantics. In our semantics, a probabilistic logic program induces a probability distribution over all possible equivalence relations between symbols, instead of a probability distribution over all possible subsets of probabilistic facts. We propose a factorization of the equivalence distribution using latent random variables and characterize its expressivity. Additionally, we propose both exact and approximate techniques for reasoning in our semantics. Experiments on well-known benchmarks show that the equivalence semantics leads to neurosymbolic models with up to 42% higher results than state-of-the-art baselines.

Optimization · Neural Network Optimization

Guanchen Li, Yixing Xu, Zeping Li, Ji Liu, Xuanwu Yin, Dong Li, Emad Barsoum

Structural pruning enhances hardware-agnostic inference efficiency for large language models (LLMs) yet often fails to maintain comparable performance. Local pruning performs efficient layer-by-layer compression but ignores global topology. Although global pruning aims to identify an optimal sparse model, intuitive methods typically adopt a two-stage paradigm that first evaluates substructure saliency and then applies global pruning, which ignores inter-structure dependencies and fails to achieve end-to-end optimization. To address these limitations, we propose Týr-the-Pruner, an efficient end-to-end search-based global structural pruning framework. This framework constructs a supernet by repeatedly applying local pruning across a range of sparsity ratios to each layer in an LLM, with the core goal of determining the optimal sparsity distribution under a target overall sparsity ratio. Concretely, we introduce an effective local pruning and an expectation error accumulation approach to improve supernet construction. Furthermore, we employ an iterative prune-and-search strategy with coarse-to-fine sparsity granularity to ensure efficient search convergence. Experimental results show that Týr-the-Pruner achieves state-of-the-art structural pruning, retaining 97% of the dense model's performance while removing a challenging 50% of Llama-3.1-70B's parameters.

Applications · Chemistry and Drug Discovery

Nuowei Liu, Jiahao Kuang, Yanting Liu, Tao Ji, Changzhi Sun, Man Lan, Yuanbin Wu

Protein design is a fundamental challenge in biotechnology, aiming to design novel sequences with specific functions within the vast space of possible proteins. Recent advances in deep generative models have enabled function-based protein design from textual descriptions, yet struggle with structural plausibility. Inspired by classical protein design methods that leverage natural protein structures, we explore whether incorporating fragments from natural proteins can enhance foldability in generative models. Our empirical results show that even random incorporation of fragments improves foldability. Building on this insight, we introduce ProDVa, a novel protein design approach that integrates a text encoder for functional descriptions, a protein language model for designing proteins, and a fragment encoder to dynamically retrieve protein fragments based on textual functional descriptions. Experimental results demonstrate that our approach effectively designs protein sequences that are both functionally aligned and structurally plausible. Compared to state-of-the-art models, ProDVa achieves comparable function alignment using less than 0.04% of the training data, while designing significantly more well-folded proteins, with the proportion of proteins having pLDDT above 70 increasing by 7.38% and those with PAE below 10 increasing by 9.62%.

Social Aspects · Accountability, Transparency and Interpretability

Kentaro Kanamori, Ken Kobayashi, Takuya Takagi

This paper proposes a new algorithm for learning gradient boosted decision trees while ensuring the existence of recourse actions. Algorithmic recourse aims to provide a recourse action for altering the undesired prediction result given by a model. While existing studies often focus on extracting valid and executable actions from a given learned model, such reasonable actions do not always exist for models optimized solely for predictive accuracy. To address this issue, recent studies proposed a framework for learning a model while guaranteeing the existence of reasonable actions with high probability. However, these methods can not be applied to gradient boosted decision trees, which are renowned as one of the most popular models for tabular datasets. We propose an efficient gradient boosting algorithm that takes recourse guarantee into account, while maintaining the same time complexity as the standard ones. We also propose a post-processing method for refining a learned model under the constraint of a recourse guarantee and provide a PAC-style analysis of the refined model. Experimental results demonstrated that our method successfully provided reasonable actions to more instances than the baselines without significantly degrading accuracy and computational efficiency.