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Deep Learning · Graph Neural Networks

Mattie Ji, Indradyumna Roy, Vikas Garg

Persistent homology (PH) encodes global information, such as cycles, and is thus increasingly integrated into graph neural networks (GNNs). PH methods in GNNs typically traverse an increasing sequence of subgraphs. In this work, we first expose limitations of this inclusion procedure. To remedy these shortcomings, we analyze contractions as a principled topological operation, in particular, for graph representation learning. We study the persistence of contraction sequences, which we call Contraction Homology (CH). We establish that forward PH and CH differ in expressivity. We then introduce Hourglass Persistence, a class of topological descriptors that interleave a sequence of inclusions and contractions to boost expressivity, learnability, and stability. We also study related families parametrized by two paradigms. We also discuss how our framework extends to simplicial and cellular networks. We further design efficient algorithms that are pluggable into end-to-end differentiable GNN pipelines, enabling consistent empirical improvements over many PH methods across standard real-world graph datasets. Code is available at https://github.com/Aalto-QuML/Hourglass.

Computer Vision · Vision Models & Multimodal

Ashutosh Chaubey, Jiacheng Pang, Maksim Siniukov, Mohammad Soleymani

Emotion understanding is essential for building socially intelligent agents. Although recent multimodal large language models (MLLMs) have shown strong performance on this task, two key challenges remain: (i) spurious associations between emotions and irrelevant audiovisual cues and (ii) hallucination of audiovisual cues driven by text priors in the language model backbone. To quantify and understand these issues, we introduce **EmoReAlM**, a benchmark designed to evaluate MLLMs for cue–emotion associations, hallucinations and modality agreement. We then propose **AVEm-DPO**, a preference optimization technique that aligns model responses with both audiovisual inputs and emotion-centric queries. Specifically, we construct preferences over (i) responses exhibiting spurious associations or hallucinations and (ii) audiovisual input pairs guided by textual prompts. We also include a regularization term that penalizes reliance on text priors, thereby mitigating modality-specific cue hallucinations. Experimental results on DFEW, RAVDESS and EMER demonstrate that our method significantly improves the performance of the reference baseline models (6-19\% of relative performance) in zero-shot settings. By providing both a rigorous benchmark and a robust optimization framework, this work enables principled evaluation and improvement of MLLMs for emotion understanding and social AI.

Deep Learning · Graph Neural Networks

Saku Peltonen, Roger Wattenhofer

Machine learning approaches to solving Boolean Satisfiability (SAT) aim to replace handcrafted heuristics with learning-based models. Graph Neural Networks have emerged as the main architecture for SAT solving, due to the natural graph representation of Boolean formulas. We analyze the expressive power of GNNs for SAT solving through the lens of the Weisfeiler-Leman (WL) test. As our main result, we prove that the full WL hierarchy cannot, in general, distinguish between satisfiable and unsatisfiable instances. We show that indistinguishability under higher-order WL carries over to practical limitations for WL-bounded solvers that set variables sequentially. We further study the expressivity required for several important families of SAT instances, including regular, random and planar instances. To quantify expressivity needs in practice, we conduct experiments on random instances from the G4SAT benchmark and industrial instances from the 2024 SAT competition. Our results suggest that while random instances are largely distinguishable, industrial instances often require more expressivity to predict a satisfying assignment.

General Machine Learning · Representation Learning

Hanyuan Zheng, Haozhen Zhang, Tianshuo Chen, Zhaogeng Liu, Yi Chang, Bin Gu

Spiking large language models (LLMs) offer significant advantages on neuromorphic hardware, yet training them from scratch remains prohibitively expensive. A promising alternative is ANN-to-SNN conversion, which reuses pretrained ANN weights while minimizing conversion error. However, existing conversion frameworks neglect activation distributions, as reflected in SNN neurons with rate or temporal coding to map uniformly distributed rather than distribution-aligned discrete values, thus causing latent conversion error arising from distribution misalignment. To tackle this problem, we propose a distribution-aware multi-granularity phase coding approach, which achieves reasonable discrete value allocation by minimizing conversion error relative to activation distributions. Specifically, multi-granularity phase coding extends conventional phase coding with multiple learnable bases, incorporating representational capacity across different granularities. Building on this coding scheme, we further propose a novel ANN-to-SNN conversion paradigm designed towards lower conversion error. In particular, our paradigm utilizes the activation distributions of hidden layers to sample data for cost-efficient neuron training, without requiring fine-tuning of model weights. Theoretically, we provide a convergence guarantee for the neuron training algorithm. Extensive experiments on the LLaMA model confirm the effectiveness of both our coding scheme and conversion paradigm. Concretely, our spiking LLM attains the lowest perplexity with ANN-level accuracy, accompanied by a 42\% reduction in energy consumption of MAC and AC operations. Our code is available at https://github.com/JLU-Solar/PhaseSNN.

Caorui Li, Yu Chen, Yiyan Ji, Jin Xu, Zhenyu Cui, Shihao Li, Yuanxing Zhang, Zhenghao Song, Dingling Zhang, Ying He 等

Recent advances in multimodal large language models (MLLMs) have demonstrated substantial potential in video understanding. However, existing benchmarks fail to comprehensively evaluate synergistic reasoning capabilities across audio and visual modalities, often neglecting either one of the modalities or integrating them in a logically inconsistent manner. To bridge this gap, we introduce OmniVideoBench, a large-scale and rigorously designed benchmark dedicated to assessing synergistic audio-visual understanding, with a strong emphasis on modality complementarity and logical consistency. Specifically, OmniVideoBench comprises 1000 high-quality question-answer(QA) pairs, each annotated with step-by-step reasoning traces, derived from 628 diverse videos ranging from several seconds to 30 minutes, and manually verified to guarantee complete correctness and uniqueness. Moreover, OmniVideoBench encompasses 13 carefully designed question types, covering temporal reasoning, spatial localization, counting, causal inference, summarization, and beyond, thereby capturing the essential challenges of video understanding. Evaluation of multiple MLLMs on OmniVideoBench reveals a pronounced gap between model performance and human reasoning, with open-source models lagging significantly behind their closed-source counterparts, underscoring the inherent difficulty of genuine audio-visual reasoning. We will release OmniVideoBench to foster the development of MLLMs with stronger and more generalizable reasoning capabilities.

Theory · Probabilistic Methods

Jingru Huang, Haijie Xu, Jie Guo, manrui jiang, Chen Zhang

Bayesian optimization (BO) has been widely used to optimize expensive and black-box functions across various domains. However, existing BO methods have not addressed tensor-output functions. To fill this gap, we propose a novel tensor-output BO framework. Specifically, we first introduce a tensor-output Gaussian process (TOGP) with two classes of tensor-output kernels as a surrogate model of the tensor-output function, which can effectively capture the structural dependencies within the tensor. Based on it, we develop an upper confidence bound (UCB) acquisition function to select query points. Furthermore, we introduce a more practical and challenging problem setting, termed combinatorial bandit Bayesian optimization (CBBO), where only a subset of the tensor outputs can be selected to contribute to the objective. To tackle this, we propose a tensor-output CBBO method, which extends TOGP to handle partially observed tensor outputs, and accordingly design a novel combinatorial multi-arm bandit-UCB2 (CMAB-UCB2) criterion to sequentially select both the query points and the output subset. We establish theoretical regret bounds for both methods, guaranteeing sublinear regret. Extensive experiments on synthetic and real-world datasets demonstrate the superiority of our methods.

Ruibin Yuan, Hanfeng Lin, Shuyue Guo, Ge Zhang, Jiahao Pan, Yongyi Zang, Haohe Liu, Yiming Liang, Wenye Ma, Xingjian Du 等

We tackle the task of long-form music generation, particularly the challenging \textbf{lyrics-to-song} problem, by introducing \textbf{YuE (乐)}, a family of open-source music generation foundation models. Specifically, YuE scales to trillions of tokens and generates up to five minutes of music while maintaining lyrical alignment, coherent musical structure, and engaging vocal melodies with appropriate accompaniment. It achieves this through \textbf{track-decoupled next-token prediction} to overcome dense mixture signals, and \textbf{structural progressive conditioning} for long-context lyrical alignment. In addition, we redesign the \textbf{in-context learning} technique for music generation, enabling bidirectional content creation, style cloning, and improving musicality. Through extensive evaluation, we demonstrate that YuE matches or even surpasses some of the proprietary systems in musicality and vocal agility (as of 2025-01). We strongly encourage readers to \textbf{listen to our demo}\footnote{\url{https://map-yue.github.io/}}.

Reinforcement Learning · Multi-agent

Wei-Jer Chang, Akshay Rangesh, Kevin Joseph, Matthew Strong, Masayoshi Tomizuka, yihan hu, Wei Zhan

Developing autonomous vehicles (AVs) requires not only safety and efficiency, but also realistic, human-like behaviors that are socially aware and predictable. Achieving this requires sim agent policies that are human-like, fast, and scalable in multi-agent settings. Recent progress in imitation learning with large diffusion-based or tokenized models has shown that behaviors can be captured directly from human driving data, producing realistic policies. However, these models are computationally expensive, slow during inference, and struggle to adapt in reactive, closed-loop scenarios. In contrast, self-play reinforcement learning (RL) scales efficiently and naturally captures multi-agent interactions, but it often relies on heuristics and reward shaping, and the resulting policies can diverge from human norms. We propose human-like self-play, a framework that leverages a pretrained tokenized autoregressive motion model as a centralized reference policy to guide decentralized self-play. The reference model provides likelihood rewards and KL divergence, anchoring policies to the human driving distribution while preserving RL scalability. Evaluated on the Waymo Sim Agents Challenge, our method achieves competitive performance with imitation-learned policies while being up to 10× faster at inference and 50× smaller in parameter size than large generative models. In addition, we demonstrate in closed-loop ego planning evaluation tasks that our sim agents can effectively measure planner quality with fast and scalable traffic simulation, establishing a new paradigm for testing autonomous driving policies.

Deep Learning · Everything Else

Zihan Lin, Xiaohan Wang, Jie Cao, Jiajun Chai, Guojun Yin, Wei Lin, Ran He

Large language models (LLMs) transcend passive generation and act as goal-directed agents by invoking external tools. Reinforcement learning (RL) offers a principled framework for optimizing these emergent tool-use policies, yet the prevailing paradigm relies exclusively on sparse outcome rewards and lacks consideration of the particularity of tool-use tasks, inflating policy-gradient variance and resulting in inefficient training. To better understand and address these challenges, we first establish a theoretical link between policy entropy and training stability of tool-use tasks, which reveals that structured, low-entropy tokens are primary determinants of rewards. Motivated by this insight, we propose Reshaped Token-level policy gradients (ResT) for tool-use tasks. ResT reshapes the policy gradient through entropy-informed token reweighting, progressively upweighting reasoning tokens as training proceeds. This scheme enables a smooth shift from structural correctness to semantic reasoning and stabilizes convergence in multi-turn tool-use tasks. Evaluation on BFCL and API-Bank shows that ResT outperforms other strong baselines, outperforming prior methods by up to 8.76%. When fine-tuned on a 4B base LLM, ResT further surpasses GPT-4o by 4.11% on single-turn tasks and 1.50% on multi-turn base tasks. Code is available at https://github.com/1229095296/ResT_Tool_use_LLM.

Computer Vision · Vision Models & Multimodal

Minji Kim, Taekyung Kim, Bohyung Han

Video Large Language Models (VideoLLMs) extend the capabilities of vision-language models to spatiotemporal inputs, enabling tasks such as video question answering (VideoQA). Despite recent advances in VideoLLMs, their internal mechanisms on where and how they extract and propagate video and textual information remain less explored. In this study, we investigate the internal information flow of VideoLLMs using mechanistic interpretability techniques. Our analysis reveals consistent patterns across diverse VideoQA tasks: (1) temporal reasoning in VideoLLMs initiates with active cross-frame interactions in early-to-middle layers, (2) followed by progressive video-language integration in middle layers. This is facilitated by alignment between video representations and linguistic embeddings containing temporal concepts. (3) Upon completion of this integration, the model is ready to generate correct answers in middle-to-late layers. (4) Based on our analysis, we show that VideoLLMs retain their VideoQA performance by selecting these effective information pathways while suppressing a substantial amount of attention edges, e.g., 58% in LLaVA-NeXT-7B-Video-FT. These findings provide a blueprint for how VideoLLMs perform temporal reasoning and offer practical insights for improving model interpretability and downstream generalization.

Social Aspects · Everything Else

Siyang Wu, Honglin Bao, Sida Li, Ari Holtzman, James Evans

We introduce benchmark signatures to characterize the capacity demands of LLM benchmarks and their overlaps. Signatures are sets of salient tokens from *in-the-wild* corpora whose model token perplexity, reflecting training exposure, predicts benchmark performance. We extract them via stepwise forward selection with linear regression in a meta-evaluation spanning 32 LLMs and 89 benchmarks across diverse domains. We then analyze how these signatures relate to both the semantic similarity of benchmark questions and the correlation structure of model performance. While performance correlations are uniformly high and semantic overlaps stay in a narrow mid-range, benchmark signatures reveal more nuanced structure. For instance, they uncover substantial overlap between benchmarks in knowledge and reasoning tasks, whereas benchmarks in culture- and humanity-oriented domains show low similarity with each other. Unlike raw performance correlations, which are influenced by benchmark-*orthogonal* factors such as question formats, signatures are robust to such confounds. We further identify cross-functional overlaps between logic, math, language, instruction following, and cultural/world modeling, with coding emerging as the most isolated function, interacting only moderately with the ability of detecting missing information. Qualitative analysis shows that only the knowledge signature aligns with actual knowledge, suggesting that LLM semantic organization may differ from human conceptual structure. Together, these findings offer insights into benchmark validity, LLM sensitivities, and the landscape of interconnected LLM capacities. We have open-sourced the code and data in [this GitHub repository](https://github.com/siyangwu1/Benchmark-Signature-Repository).

Fernando Ruiz-Mazo, Vikas Garg

Deploying ML systems with only a few real samples makes operational metrics (such as alert rates or mean scores) highly unstable. Existing uncertainty quantification (UQ) methods fail here: frequentist intervals ignore the deployed predictive rule, Bayesian posteriors assume continual refitting, and conformal methods offer per-example rather than long-run guarantees. We introduce a forecast-first UQ framework that blends the empirical distribution with a frozen pretrained generator using a unique Dirichlet schedule, ensuring time-consistent forecasts. Uncertainty is quantified via martingale posteriors: a lightweight, likelihood-free resampling method that simulates future forecasts under the deployed rule, yielding sharp, well-calibrated intervals for both current and long-run metrics without retraining or density evaluation. A single hyperparameter, set by a small-$n$ minimax criterion, balances sampling variance and model--data mismatch; for bounded scores, we provide finite-time drift guarantees. We also show how this framework informs optimal retraining decisions. Applicable off-the-shelf to frozen generators (flows, diffusion, autoregressive models, GANs) and linear metrics (means, tails, NLL), it outperforms bootstrap baselines across vision and language benchmarks (WikiText-2, CIFAR-10, and SVHN datasets); e.g., it achieves $\sim$90\% coverage on GPT-2 with 20 samples vs.\ 37\% for bootstrap. Importantly, our uncertainty estimates are operational under the deployed forecasting rule agnostic of the population parameters, affording practicable estimators for deployment in real world settings. Code available at \url{https://github.com/Aalto-QuML/Prequential/}.

Optimization · Everything Else

Mang Li, Wei Lyu

The one-epoch overfitting problem has drawn widespread attention, especially in CTR and CVR estimation models in search, advertising, and recommendation domains. These models which rely heavily on large-scale sparse categorical features, often suffer a significant decline in performance when trained for multiple epochs. Although recent studies have proposed heuristic solutions, the fundamental cause of this phenomenon remains unclear. In this work, we present a theoretical explanation grounded in Rademacher complexity, supported by empirical experiments, to explain why overfitting occurs in models with large-scale sparse categorical features. Based on this analysis, we propose a regularization method that constrains the norm budget of embedding layers adaptively. Our approach not only prevents the severe performance degradation observed during multi-epoch training, but also improves model performance within a single epoch. This method has already been deployed in online production systems.

General Machine Learning · Causality

Josh Givens, Song Liu, Henry W J Reeve, Katarzyna Reluga

Within heterogeneous treatment effect (HTE) analysis, various estimands have been proposed to capture the effect of a treatment conditional on covariates. Recently, the conditional quantile comparator (CQC) has emerged as a promising estimand, offering quantile-level summaries akin to the conditional quantile treatment effect (CQTE) while preserving some interpretability of the conditional average treatment effect (CATE). It achieves this by summarising the treated response conditional on both the covariates and the untreated response. Despite these desirable properties, the CQC's current estimation is limited by the need to first estimate the difference in conditional cumulative distribution functions and then invert it. This inversion obscures the CQC estimate, hampering our ability to both model and interpret it. To address this, we propose the first direct estimator of the CQC, allowing for explicit modelling and parameterisation. This explicit parameterisation enables better interpretation of our estimate while also providing a means to constrain and inform the model. We show, both theoretically and empirically, that our estimation error depends directly on the complexity of the CQC itself, improving upon the existing estimation procedure. Furthermore, it retains the desirable double robustness property with respect to nuisance parameter estimation. We further show our method to outperform existing procedures in estimation accuracy across multiple data scenarios while varying sample size and nuisance error. Finally, we apply it to real-world data from an employment scheme, uncovering a reduced range of potential earnings improvement as participant age increases.

Deep Learning · Generative Models and Autoencoders

Peter Blohm, Vikas Garg

Composing pretrained diffusion models provides a cost-effective mechanism to encode constraints and unlock complex generative capabilities. Prior work relies on crafting compositional operators that seek to extend set-theoretic notions such as union and intersection to diffusion models, e.g., using a product or mixture of the underlying energy functions. We expose the inadequacy and inconsistency of combining these operators in terms of limited mode coverage, biased sampling, instability under negation queries, and failure to satisfy basic compositional laws such as idempotency and distributivity. We introduce a principled calculus grounded in fuzzy logic that resolves these issues. Specifically, we define a general class of conjunction, disjunction, and negation operators that generalize the classical mixtures, illustrating how they circumvent various pathologies and enable precise combinatorial reasoning with score models. Beyond existing methods, the proposed *Dombi* operators yield complex generative outcomes, such as the Exclusive-OR (XOR) of individual scores. We establish rigorous theoretical guarantees on the stability and temperature scaling of Dombi compositions, and derive Feynman-Kac correctors to mitigate the sampling bias in score composition. Empirical results on image generation with stable diffusion and multi-objective molecular generation substantiate the conceptual, theoretical, and methodological benefits. Overall, this work lays the foundation for systematic design, analysis, and deployment of diffusion ensembles. Code is available at [https://github.com/Aalto-QuML/logic-diffusion-composition](https://github.com/Aalto-QuML/logic-diffusion-composition)

Theory · Interpretability and Visualization

Jin Hwa Lee, Matthew Smith, Maxwell Adam, Jesse Hoogland

Current training data attribution (TDA) methods treat the influence one sample has on another as static, but neural networks learn in distinct stages that exhibit changing patterns of influence. In this work, we introduce a framework for stagewise data attribution grounded in singular learning theory. We predict that influence can change non-monotonically, including sign flips and sharp peaks at developmental transitions. We first validate these predictions analytically and empirically in a toy model, showing that dynamic shifts in influence directly map to the model's progressive learning of a semantic hierarchy. Finally, we demonstrate these phenomena at scale in language models, where token-level influence changes align with known developmental stages.

Applications · Language, Speech and Dialog

Yue Zhang, Seiji Maekawa, Nikita Bhutani

Table Question Answering (Table QA) in real-world settings must operate over both structured databases and semi-structured tables containing textual fields. However, existing benchmarks are tied to fixed data formats and have not systematically examined how representation itself affects model performance. We present the first controlled study that isolates the role of table representation by holding content constant while varying structure. Using a verbalization pipeline, we generate paired structured and semi-structured tables, enabling direct comparisons across modeling paradigms. To support detailed analysis, we introduce a diagnostic benchmark with splits along table size, join requirements, query complexity, and schema quality. Our experiments reveal consistent trade-offs: SQL-based methods achieve high accuracy on structured inputs but degrade on semi-structured data, LLMs exhibit flexibility but reduced precision, and hybrid approaches strike a balance, particularly under noisy schemas. These effects intensify with larger tables and more complex queries. Ultimately, no single method excels across all conditions, and we highlight the central role of representation in shaping Table QA performance. Our findings provide actionable insights for model selection and design, paving the way for more robust hybrid approaches suited for diverse real-world data formats.

Computer Vision · Vision Models & Multimodal

Qi Zhang, Suvam Bag, Rupanjali Kukal, Mikael Figueroa, Rishi Madhok, Nikolaos Karianakis, Fuxun Yu

Map generation tasks feature extensive non-structural *vectorized data* (e.g., points, polylines, and polygons) and thus pose significant challenges to common pixel-wise generative models. Conventional approaches use multiple stages, first segmenting these features at the pixel level and then performing vectorized post-processing, with errors and complexity compounding at each stage. Motivated by the recent success of auto-regressive language modeling, we propose the first map foundation model, named Map Auto-Regressor (MARS), that is capable of generating both multi-polyline road networks and polygon buildings in a unified manner. For training MARS, we collected to our knowledge the largest multi-class map extraction dataset totaling 3.4M examples, which we call MAP-3M. Across four road and building datasets, MARS outperforms or matches the performance of multistage baselines. Additionally, we develop a ``Chat with MARS'' capability that enables interactive human-in-the-loop map generation and correction, supported by the auto-regressive nature of our end-to-end approach. We release our MAP-3M dataset and project demo page at (1) https://huggingface.co/datasets/bag-lab/MAP-3M and (2) https://huggingface.co/spaces/bag-lab/MARS, respectively.

Theory · Learning Theory

Ariel Procaccia, Han Shao, Itai Shapira

Federated learning promises significant sample-efficiency gains by pooling data across multiple agents, yet incentive misalignment is an obstacle: each update is costly to the contributor but boosts every participant. We introduce a game-theoretic framework that captures heterogeneous data: an agent’s utility depends on who supplies each sample, not just how many. Agents aim to meet a PAC-style accuracy threshold at minimal personal cost. We show that uncoordinated play yields pathologies: pure equilibria may not exist, and the best equilibrium can be arbitrarily more costly than cooperation. To steer collaboration, we analyze the cost-minimizing contribution vector, prove that computing it is NP-hard, and derive a polynomial-time linear program that achieves a logarithmic approximation. Finally, pairing the LP with a simple pay-what-you-contribute rule—each agent receives a payment equal to its sample cost—yields a mechanism that is strategy-proof and, within the class of contribution-based transfers, is unique.

Computer Vision · Vision Models & Multimodal

Yang Chen, Minghao Liu, Yufan Shen, Yunwen Li, Tianyuan Huang, Xinyu Fang, Tianyu Zheng, Wenxuan Huang, Cheng Yang, Licheng Wen 等

The webpage-to-code task requires models to understand visual representations of webpages and generate corresponding code. However, existing benchmarks primarily focus on static screenshot-to-code tasks, thereby overlooking the dynamic interactions fundamental to real-world web applications. To address this limitation, this paper introduces IWR-Bench, a novel benchmark for evaluating the capabilities of Large Vision-Language Models (LVLMs) in interactive webpage reconstruction from video. IWR-Bench comprises 113 meticulously curated tasks from 100 real-world websites, with 1,001 actions and featuring diverse interaction complexities (e.g., web games), visual styles, and domains. Aligning with standard web development practices, each task includes not only user interaction videos but also all crawled static assets (e.g., images, videos). This benchmark evaluates models on two fundamental challenges: comprehensive multi-modal reasoning to infer interaction logic from video and assets, and advanced code generation to translate this logic into functional code. An agent-as-a-judge framework with a comprehensive metric system automatically assesses the functional correctness and visual fidelity of generated webpages. Extensive experiments on 28 LVLMs reveal a significant challenge: the best model achieves an overall score of only 36.35\%, as functional correctness (24.39\% IFS) lags significantly behind visual fidelity (64.25\% VFS). These results highlight critical limitations in current models' ability to reason about temporal dynamics and synthesize event-driven logic, establishing IWR-Bench as a challenging frontier for vision-language research. The benchmark and evaluation code will be made publicly available.