We examine whether graph neural network (GNN) design rules generalize across benchmark families by studying aggregator selection (sum, mean, max) on 24 node-classification datasets spanning citation, heterophilic, LINKX Facebook-100, co-purchase, and co-authorship graphs. Edge homophily is only weakly predictive of the GIN-Sum versus GIN-Mean performance gap. Label informativeness predicts this gap well on legacy benchmarks but degrades substantially when Facebook-100 graphs are included. In these dense friendship networks, near-zero label informativeness coexists with a strong preference for sum aggregation, producing gains of 7-10% and up to 13% under extended training. Stochastic block model ablations, including degree-corrected variants matching Facebook-100 degree scales, fail to reproduce this behavior, indicating that mean degree alone does not explain the effect. Among several label-independent graph statistics, the spectral gap uniquely distinguishes these graphs from other low-informativeness datasets, with the effect localized to one-hop neighborhoods and replicated across architectures. We further identify training regimes that interact with aggregator choice and show that PNA can underperform the best single-aggregator GIN on standard citation benchmarks. Our results suggest that benchmark composition, rather than numerical insufficiency, determines whether design rules appear to generalize, and that the Facebook-100 regime provides a concrete target for future adaptive aggregation methods.
This submission documents the divide-and-conquer modeling strategy developed for the CTF-4-Science Lorenz Chaotic Systems Challenge at AI-DEEDS 2026. The challenge uses the CTF-4-Science Lorenz benchmark to evaluate chaotic-system prediction across twelve hidden scores and five scenario families: clean forecasting, noisy reconstruction, noisy-input forecasting, few-shot learning, and parametric generalization. Rather than forcing one model class to handle all regimes, the final system matched each prediction block to the evaluation behavior of its task group. The main contributions are: smoothing-based reconstruction for noisy full-trajectory denoising; NG-RC/NVAR models tuned for noisy long-time attractor forecasting; a fitted Lorenz transition correction restricted to the sensitive clean short-time prefix; and a parametric prefix blend for the interpolation task. The resulting system with final public score of 79.63 shows that bounded, scenario-specific updates can outperform broad model replacement on mixed chaotic forecasting benchmarks.
Many real-world queries over personal data span multiple applications and require structured planning, as individual tools expose only partial information. While LLMs show strong reasoning and tool use, reliably executing multi-step, cross-tool queries remains challenging. We introduce a system that converts natural language queries into structured graphs and executes them via a deterministic planner. Our approach uses depth-first search to resolve dependencies and combine results across tools, improving reliability and enabling queries beyond traditional keyword-based search. We demonstrate high accuracy even with smaller or locally hosted LLMs.
Aishwarya Chakravarthy, Vidhi Kulkarni, Duen Horng Chau· 0 citations
Accurate carbon emission monitoring is critical for climate policy and emerging regulatory mechanisms such as the EU Carbon Border Adjustment Mechanism, yet city-level high-frequency monitoring data remain extremely scarce, severely limiting data-hungry deep learning models. Time series generation is a natural remedy, but existing GAN and diffusion-based generators often provide limited explicit supervision for the domain structure of carbon emission data: they may match marginal distributional statistics while insufficiently preserving cross-variable correlations between CO$_2$ and co-emitted pollutants and meteorological factors, and tend to collapse the first-difference statistics of atmospheric measurements, producing sequences that are smooth on average but lack the realistic step-wise variability of the underlying signals. We propose TriHead-GAN, a Transformer-based adversarial framework whose triple-head discriminator jointly supervises three complementary aspects of the joint distribution: distributional authenticity via a Wasserstein critic, cross-variable dependency via leakage-free regression of the target variable, and step-wise temporal smoothness via adjacent-difference prediction. The generator combines global self-attention with local temporal convolution, per-step noise injection, and an anti-smoothing loss that matches first-difference statistics. Experiments on the self-collected Changsha Carbon dataset, two public carbon datasets (China, US), and the ETTh1 benchmark show that TriHead-GAN achieves favorable performance over mainstream baselines on the vast majority of settings, and that the resulting synthetic windows improve downstream forecasting accuracy in low-resource carbon monitoring scenarios.
Zesen Wang, Lijuan Lan, Yonggang Li et al.· 0 citations
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Scalable data attribution methods typically assign isolated utility scores to individual training examples. This prevalent additive assumption fundamentally fails to capture critical subset dynamics, including data redundancy and complementary coverage. In this work, we reframe attribution as subset-level counterfactual utility prediction and introduce GRASP, an interaction-aware surrogate. Grounded in a theoretical smoothness lower bound, GRASP explicitly models subset interactions through a quadratic geometric penalty. To achieve pretraining-scale efficiency without relying on hidden oracle tuning, we couple low-dimensional feature sketches with a strictly finite lower-confidence bound selection protocol. Extensive subset-retraining evaluations demonstrate that GRASP decisively outperforms existing scalable baselines. It more than doubles the task-level rank correlation for counterfactual subset fidelity while reducing upfront artifact construction costs by nearly an order of magnitude. Downstream diagnostics further show that this scoring mechanism transfers to language model curation and cross-domain vision selection, establishing a robust foundation for optimizing massive pretraining corpora.
Reduced-order modeling of high-dimensional dynamical systems is often hindered by closure effects arising from unresolved variables, which can introduce non-Markovian dependence into the resolved dynamics. Motivated by the history-dependent memory term arising in the Mori--Zwanzig formalism, we recast non-Markovian closure modeling as a sequence modeling problem and propose the Mamba-Assisted Closure (MAC) framework. MAC employs a Mamba-based sequence model to predict the closure from the resolved trajectory and couples the learned closure with the reduced-order governing equations through a numerical integrator to advance the resolved variables in time. During training, the selective scan mechanism in Mamba enables efficient parallel sequence processing with linear scaling in sequence length, while autoregressive inference proceeds through recurrent state updates at essentially constant per-step cost. We evaluate MAC on four benchmark systems with complementary characteristics: the viscous Burgers' equation, the chaotic two-scale Lorenz '96 system, the 3-bus DeMarco--Zheng power-grid system, and the dispersive Korteweg--de Vries equation. Across these benchmarks, MAC consistently improves predictive accuracy and long-time rollout stability relative to the comparison models, demonstrating an effective and computationally scalable approach to non-Markovian closure modeling.
Zeroth-order (ZO) optimization is a memory-efficient alternative to backpropagation for fine-tuning large language models, but its deployment is limited by the high variance of gradient estimation. We propose GRZO, a Group-Relative Zeroth-Order optimizer that draws one pseudo-independent perturbation per mini-batch example and aggregates the per-example losses through group-relative normalization, raising the effective gradient-direction count from one to the batch size at no additional forward cost while preserving inference-level memory. We prove that GRZO is directionally unbiased with variance shrinking proportionally to the batch size, yielding a tighter nonconvex convergence bound than MeZO. Across RoBERTa-large, Llama3-8B, and OPT-13B over multiple tasks, GRZO improves average accuracy on Llama3-8B by $+3.0$ over MeZO at $23\%$ lower peak GPU memory; as a drop-in replacement for the MeZO core, it lifts sparse, low-rank, and quantized ZO variants by $+6.0$ on average.
Liyan Tan, Yequan Zhao, Yifan Yang et al.· 0 citations
Large language models are increasingly deployed as advisors whose objective is not aligned with the user's: recommenders optimize for engagement, sales assistants for purchases. Whether they stay truthful when honesty conflicts with their own payoff is a core alignment question. We turn the canonical Crawford-Sobel cheap-talk model into a pre-specified benchmark for LLM honesty under preference misalignment, in which theory supplies an exact oracle. A sender observes a state omega in [0,1], wants the receiver's action near omega+b, and sends one costless message to a receiver whose ideal action is omega. For the positive-bias grid b in {0.01,0.04,0.08,0.12} the exact most-informative partition sizes are 7,4,3,2, with oracle normalized mutual information 0.5294, 0.3268, 0.2205, 0.1829. Extending a pre-registered 4-model run of 12,000 sender calls to eight models across two capability tiers and 39,569 logged calls, all models over-reveal relative to the most-informative equilibrium by 1.8 to 4.5x: pooled normalized mutual information stays at 0.82-0.96 where the oracle prescribes 0.18-0.53. Informativeness declines with bias as predicted (beta = -1.71, t = -7.50) but never approaches the strategic optimum; rather than coarse partitions, models show near-full revelation with a constant upward offset tracking their bias (linear exaggeration). A structural hint separates capability from propensity: told the equilibrium partition size, reasoning models state a correct Crawford-Sobel cell in 0.20-0.99 of messages while the non-reasoning tier never exceeds 0.005. The capability is present but goes unexercised unless asked for, locating the failure in propensity rather than competence. A decoder ablation shows the finding is recoverable only when the receiver reads the sender's stated number: an embedding-only decoder mis-reads the same data as near-babbling.
The elementwise Hadamard product of two low-rank matrices provides a parameter-efficient model for data with multiplicative structure, but its modeling is challenging due to the presence of additional symmetries under coupled row/column scalings between the two factors. In order to leverage the geometry of the space, we formulate the learning of such matrices as optimization on a Riemannian quotient manifold. We propose a novel block-diagonal Riemannian metric derived from the pullback of the Frobenius inner product. The metric is shown to be invariant under these symmetries. We develop a Riemannian gradient descent algorithm that uses a tuning-free Gauss--Newton step size and scales linearly in the number of observed entries per iteration. The versatile framework of Riemannian quotient optimization enables both first-order and second-order Riemannian methods, the latter through a closed-form connection and the Riemannian Hessian. Experiments on real and synthetic datasets illustrate the efficacy of our proposed Riemannian approach.
Reinforcement learning (RL) post-training has shown to improve reasoning in large language models (LLMs). However, there has been little exploration on the problem of data contamination in RL post-training, potentially undermining generalization and evaluation reliability of the training process itself. Existing detection methods primarily rely on output-level signals such as likelihood or entropy, which become unreliable for RL-trained models since RL shapes behavior through trajectory-level rewards rather than token likelihoods. We propose LaRA, a layer-wise representation analysis framework for detecting contamination in RL post-trained LLMs. LaRA introduces three complementary metrics, measuring perturbation sensitivity, directional collapse, and local representation rigidity under controlled perturbations. We find that contamination produces progressive geometric deviations across layers, including amplified perturbation sensitivity, stronger directional collapse, and enhanced local rigidity. Based on our findings, we also develop a contamination detection protocol that aggregates representation-level deviations across layers and metrics. Experiments on RL-trained reasoning models show that our protocol outperforms existing output-level baselines for contamination detection.
Minju Gwak, Minseo Kwak, Dongseok Lee et al.· 0 citations
Recent reinforcement learning (RL) post-training approaches primarily optimize the final output policy using sparse outcome-level rewards, while largely overlooking predictive signals encoded in intermediate representations. In this paper, we introduce a new paradigm called on-policy internal self-distillation and propose the OISD framework, which improves reasoning by transferring on-policy predictive signals from the final layer to intermediate representations. During rollout and Group Relative Policy Optimization (GRPO) optimization, the final layer acts as both the policy and a detached internal teacher for selected intermediate layers, which are guided to align with it through two complementary mechanisms: logit alignment, which transfers high-level reasoning behaviors (how to think), and attention alignment, which enforces consistent attention patterns (where to look) from the final layer to the selected intermediate layer, both without requiring external privileged information. Our OISD, together with GRPO, employs signed advantage-weighted Jensen--Shannon alignment to distill informative intermediate representations while preserving policy consistency under a unified acting policy. Experimental results demonstrate the effectiveness of OISD, with substantial and consistent improvements over strong reasoning RL baselines across four mathematical reasoning tasks. The code will be released at https://github.com/THE-MALT-LAB/OISD
Xinyu Liu, Darryl Cherian Jacob, Yang Zhou et al.· 0 citations
Recent advances in large language models have accelerated open-vocabulary EEG-to-imagined-text decoding, where non-invasive neural activity recorded during visual perception is translated into coherent natural language descriptions of viewed stimuli. However, existing systems remain highly vulnerable to biological noise, where corrupted neural projections induce hallucinated or semantically unstable generation in frozen language models. We introduce SYNAPSE (Symbolic Neural Alignment for Precise Semantic Extraction), a lightweight neuro-symbolic framework that stabilizes neural text generation through inference-time symbolic regularization. By purifying EEG-derived semantic candidates using commonsense graph structure and latent exemplars, SYNAPSE improves semantic stability without end-to-end LLM fine-tuning. Experiments across popular EEG decoding benchmarks and multiple frozen LLM backends demonstrate consistent gains over unconstrained prompting baselines, robustness under object-label ablation, and performance commensurate with substantially more resource-intensive fine-tuned systems, while preserving biometric privacy by localizing raw EEG processing entirely within the encoder stack.
A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.
MIT News · Artificial Intelligence· news.mit.eduAug 24, 2026
A new method for surgically removing training examples from a model reveals that as datasets grow, the link between what a model learns and what it produces dissolves.
