Training multi-modal large language models (MLLMs) that align with human intentions is a long-term challenge. Traditional score-only reward models for alignment suffer from low accuracy, weak generalization, and poor interpretability, blocking the progress of alignment methods, \textit{e.g.,} reinforcement learning from human feedback (RLHF). Generative reward models (GRMs) leverage MLLMs' intrinsic reasoning capabilities to discriminate pair-wise responses, but their pair-wise paradigm makes it hard to generalize to learnable rewards. We introduce Generative RLHF-V, a novel alignment framework that integrates GRMs with multi-modal RLHF. We propose a two-stage pipeline: \textbf{multi-modal generative reward modeling from RL}, where RL guides GRMs to actively capture human intention, then predict the correct pair-wise scores; and \textbf{RL optimization from grouped comparison}, which enhances multi-modal RL scoring precision by grouped responses comparison. Experimental results demonstrate that, besides out-of-distribution generalization of RM discrimination, our framework improves 4 MLLMs' performance across 7 benchmarks by 18.1\%, while the baseline RLHF is only 5.3\%. We further validate that Generative RLHF-V achieves a near-linear improvement with an increasing number of candidate responses.

This position paper argues that real-time generative AI has the potential to become the next wave of addictive digital media, creating a new class of digital content akin to ``digital heroin'' with severe implications for mental health and youth development. By shortening the content-generation feedback loop to mere seconds, these advanced models will soon be able to hyper-personalize outputs on the fly. When paired with misaligned incentives (e.g., maximizing user engagement), this will fuel unprecedented compulsive consumption patterns with far-reaching consequences for mental health, cognitive development, and social stability. Drawing on interdisciplinary research, from clinical observations of social media addiction to neuroscientific studies of dopamine-driven feedback, we illustrate how real-time tailored content generation may erode user autonomy, foment emotional distress, and disproportionately endanger vulnerable groups, such as adolescents. Due to the rapid advancement of generative AI and its potential to induce severe addiction-like effects, we call for strong government oversight akin to existing controls on addictive substances, particularly for minors. We further urge the machine learning community to act proactively by establishing robust design guidelines, collaborating with public health experts, and supporting targeted policy measures to ensure responsible and ethical deployment, rather than paving the way for another wave of unregulated digital dependence.

Sequential deep learning models excel in domains with temporal or sequential dependencies, but their complexity necessitates post-hoc feature attribution methods for understanding their predictions. While existing techniques quantify feature importance, they inherently assume fixed feature ordering -- conflating the effects of (1) feature values and (2) their positions within input sequences. To address this gap, we introduce OrdShap, a novel attribution method that disentangles these effects by quantifying how a model's predictions change in response to permuting feature position. We establish a game-theoretic connection between OrdShap and Sanchez-Bergantiños values, providing a theoretically grounded approach to position-sensitive attribution. Empirical results from health, natural language, and synthetic datasets highlight OrdShap's effectiveness in capturing feature value and feature position attributions, and provide deeper insight into model behavior.

Large reasoning models (LRMs), such as OpenAI-o1 and DeepSeek-R1, demonstrate impressive long-horizon reasoning capabilities. However, their reliance on static internal knowledge limits their performance on complex, knowledge-intensive tasks and hinders their ability to produce comprehensive research reports requiring synthesis of diverse web information. To address this, we propose WebThinker, a deep research agent that empowers LRMs to autonomously search the web, navigate among web pages, and draft reports during the reasoning process. WebThinker integrates a Deep Web Explorer module, enabling LRMs to dynamically search, navigate, and extract information from the web when encountering knowledge gaps. It also employs an Autonomous Think-Search-and-Draft strategy, allowing the model to seamlessly interleave reasoning, information gathering, and report writing in real time. To further enhance research tool utilization, we introduce an RL-based training strategy via iterative online Direct Preference Optimization (DPO). Extensive experiments on complex reasoning benchmarks (GPQA, GAIA, WebWalkerQA, HLE) and scientific report generation tasks (Glaive) demonstrate that WebThinker significantly outperforms existing methods and strong proprietary systems. Our approach enhances LRM reliability and applicability in complex scenarios, paving the way for more capable and versatile deep research systems.

Recent works have introduced new equivariant neural networks, motivated by their improved generalization compared to traditional deep neural networks. While experiments support this advantage, the theoretical understanding of their generalization properties remains limited. In this paper, we analyze the generalization capabilities of Group Convolutional Neural Networks (GCNNs) with the ReLU activation function through the lens of Vapnik-Chervonenkis (VC) dimension theory. We investigate how architectural factors--such as the number of layers, weights, and input dimensions--affect the VC dimension. A key challenge in our analysis is proving a lower bound on the VC dimension, for which we introduce new techniques, establishing a novel connection between GCNNs and standard deep neural networks. Additionally, we compare our derived bounds to those known for fully connected neural networks. Our results extend previous findings on the VC dimension of continuous GCNNs with two layers, offering new insights into their generalization behavior, particularly their dependence on input resolution.

Uncertainty quantification (UQ) is crucial for deploying machine learning models in high-stakes applications, where overconfident predictions can lead to serious consequences. An effective UQ method must balance computational efficiency with the ability to generalize across diverse scenarios. Evidential deep learning (EDL) achieves efficiency by modeling uncertainty through the prediction of a Dirichlet distribution over class probabilities. However, the restrictive assumption of Dirichlet-distributed class probabilities limits EDL's robustness, particularly in complex or unforeseen situations. To address this, we propose *flexible evidential deep learning* ($\mathcal{F}$-EDL), which extends EDL by predicting a flexible Dirichlet distribution--a generalization of the Dirichlet distribution--over class probabilities. This approach provides a more expressive and adaptive representation of uncertainty, significantly enhancing UQ generalization and reliability under challenging scenarios. We theoretically establish several advantages of $\mathcal{F}$-EDL and empirically demonstrate its state-of-the-art UQ performance across diverse evaluation settings, including classical, long-tailed, and noisy in-distribution scenarios.

Generating diverse responses from large language models (LLMs) is crucial for applications such as adversarial testing, search, and synthetic data generation, where diversity provides distinct answers across generations. Previous approaches rely solely on increasing the temperature, sacrificing quality. Furthermore, the model's next-token probabilities may not be representative of the true answer distribution. To combat these challenges, we propose SimpleStrat, an alternative that uses the language model itself to partition the solution space into strata from which to sample. To measure resampling diversity, we introduce CoverageQA, a dataset of underspecified questions with multiple equally plausible answers. We propose measuring resampling diversity as the KL Divergence between the response distribution and the uniform distribution over valid ground truth answers and use recall as an alternative when assessing proprietary models. On CoverageQA, SimpleStrat improves diversity across all temperatures, showing orthogonal benefits. Quantifiably, we achieve as much as 4X better recall when applied to GPT-4o, and an average reduction in KL divergence by 0.36 when applied to Llama 3. Furthermore, we show that SimpleStrat achieves more resampling diversity at temperature T=0 than scaling temperature to T=1 on creative writing, an open-ended domain.

The effectiveness of deep learning models in classification tasks is often challenged by the quality and quantity of training data whenever they are affected by strong spurious correlations between specific attributes and target labels. This results in a form of bias affecting training data, which typically leads to unrecoverable weak generalization in prediction. This paper addresses this problem by leveraging bias amplification with generated synthetic data only: we introduce Diffusing DeBias (DDB), a novel approach acting as a plug-in for common methods of unsupervised model debiasing, exploiting the inherent bias-learning tendency of diffusion models in data generation. Specifically, our approach adopts conditional diffusion models to generate synthetic bias-aligned images, which fully replace the original training set for learning an effective bias amplifier model to be subsequently incorporated into an end-to-end and a two-step unsupervised debiasing approach. By tackling the fundamental issue of bias-conflicting training samples' memorization in learning auxiliary models, typical of this type of technique, our proposed method outperforms the current state-of-the-art in multiple benchmark datasets, demonstrating its potential as a versatile and effective tool for tackling bias in deep learning models.

Nuclear Magnetic Resonance (NMR) spectroscopy is a cornerstone technique for determining the structures of small molecules and is especially critical in the discovery of novel natural products and clinical therapeutics. Yet, interpreting NMR spectra remains a time-consuming, manual process requiring extensive domain expertise. We introduce ChefNMR (CHemical Elucidation From NMR), an end-to-end framework that directly predicts an unknown molecule's structure solely from its 1D NMR spectra and chemical formula. We frame structure elucidation as conditional generation from an atomic diffusion model built on a non-equivariant transformer architecture. To model the complex chemical groups found in natural products, we generated a dataset of simulated 1D NMR spectra for over 111,000 natural products. ChefNMR predicts the structures of challenging natural product compounds with an unsurpassed accuracy of over 65%. This work takes a significant step toward solving the grand challenge of automating small-molecule structure elucidation and highlights the potential of deep learning in accelerating molecular discovery.

Modern machine learning algorithms, especially deep learning-based techniques, typically involve careful hyperparameter tuning to achieve the best performance. Despite the surge of intense interest in practical techniques like Bayesian optimization and random search-based approaches to automating this laborious and compute-intensive task, the fundamental learning-theoretic complexity of tuning hyperparameters for deep neural networks is poorly understood. Inspired by this glaring gap, we initiate the formal study of hyperparameter tuning complexity in deep learning through a recently introduced data-driven setting. We assume that we have a series of learning tasks, and we have to tune hyperparameters to do well on average over the distribution of tasks. A major difficulty is that the utility function as a function of the hyperparameter is very volatile, and furthermore, it is given implicitly by an optimization problem over the model parameters. To tackle this challenge, we introduce a new technique to characterize the discontinuities and oscillations of the utility function on any fixed problem instance as we vary the hyperparameter; our analysis relies on subtle concepts, including tools from algebraic geometry, differential geometry, and constrained optimization. We use this to show that the learning-theoretic complexity of the corresponding family of utility functions is bounded. We instantiate our results and provide sample complexity bounds for concrete applications--tuning a hyperparameter that interpolates neural activation functions and setting the kernel parameter in graph neural networks.