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COGNAC: Cooperative Graph-based Networked Agent Challenges for Multi-Agent Reinforcement Learning

Neural Information Processing Systems

Many controlled complex systems have an inherent network structure, such as power grids, traffic light systems, or computer networks. Automatically controlling these systems is highly challenging due to their combinatorial complexity.


Human-AI Teaming Through the Lens of Calibration

arXiv.org Machine Learning

We study models for human-AI teaming through the lens of statistical calibration. We assume the team consists of an AI model and human -- both of which are calibrated with respect to some partitioning of the feature space -- and expose how the calibration assumptions propagate into the teaming framework. In particular, we consider frameworks that either (i) combine human and model predictions or (ii) delegate prediction responsibility to either a human or model. We show via theoretical and empirical results that existing methods for combination do not preserve the human's degree of calibration. Methods for delegation (by the very act of delegation) preserve calibration of the downstream predictors but shift the burden onto the rejector meta-model that decides who predicts. The rejector must be calibrated finely enough to locate where each member is superior, a demand that grows with the human's expertise and becomes unattainable when the human relies on information the system cannot observe.


Advancing the State-of-the-Art in Empirical Privacy Auditing

arXiv.org Machine Learning

Parameter-efficient fine-tuning of large language models (LLMs) can exhibit problematic memorization of individual training examples. Empirical privacy auditing (EPA) quantifies this risk by measuring realistic data leakage on membership inference (MI) or reconstruction attacks. A key challenge in EPA is designing ``canary'' examples that are mixed with the privacy-sensitive training data. We propose generating synthetic canaries via high-temperature sampling ($T \geq 0.8$) from LLMs, using prompts tailored to the privacy-sensitive training data. These canaries act as high-influence outliers, ensuring high identifiability and hence strong audits. Further, since the canaries are themselves non-private, they are inspectable and can be inserted with repetition without jeopardizing the privacy of the real data. An important use of models fine-tuned on privacy-sensitive data is the generation of synthetic data. This also comes with privacy risk. We introduce a powerful synthetic data audit based on fine-tuning an auxiliary model on the synthetic data. Auditing the auxiliary model for the original canaries then provides a strong estimate of the privacy leakage through the synthetic data. Finally, leveraging our strong auditing methodologies, we perform a systematic investigation into the interacting effects of model capacity and canary entropy on memorization.


Flexible Kernels for Protein Property Prediction

arXiv.org Machine Learning

Despite its importance to applications in protein design, predicting protein properties like binding affinity and thermostability from sparse experimental data remains a significant challenge. Accordingly, we introduce a class of sequence kernels that exploit evolutionary substitution matrices as well as local linearity and demonstrate that the resulting Gaussian processes provide data-efficient models of protein property landscapes, frequently outperforming alternatives that rely on foundation model embeddings. Furthermore--by learning what are in effect structure-aware substitution matrices--we show that our kernels can readily incorporate structural information from foundation models. We demonstrate that these structure-conditioned kernels are well suited to multi-task learning across multiple protein property landscapes and can decisively outperform local supervised learning methods.


Near-Exponential Convergence Rates for kNN Classification based on Boltzmann Margin

arXiv.org Machine Learning

Convergence-rate analysis for classifiers is often conducted under either Tsybakov margin or Massart margin. The former is a relatively weak condition that typically yields polynomial rates, while the latter is substantially stronger but can guarantee exponential rates. In this paper, we introduce a new condition, called Boltzmann margin, that bridges the gap between these two regimes. It is weaker than Massart margin, generally stronger than Tsybakov margin, and can imply many of their properties under suitable conditions. We apply Boltzmann Figure 1: Example data densities on [0,1] that satisfy different margins respectively. Bayes decision boundary is 0.5.margin to the analysis of kNN classifiers and establish the first near-exponential convergence rates for kNN classification. We also present extensions of the main results and provide numerical evidencenecessarily strong for many problems. Can there be a more supporting the main theoretical implications.


SPACR: Single-Pass Adaptive Training of Uncertainty-Aware Conformal Regressors

arXiv.org Machine Learning

Conformal Prediction (CP) provides robust uncertainty guarantees for predictive models, but is typically applied post hoc, which misaligns model training with the conformal goal of producing efficient (i.e, narrow) intervals. We propose SPACR (Single-Pass Adaptive Conformal Regressor), a novel method for directly training uncertainty-aware regressors within a differentiable loss. SPACR jointly optimizes efficiency and validity without batch-splitting or a predefined confidence levels during training. As a result, a single SPACR model yields valid prediction intervals at multiple confidence levels during inference, avoiding the costly retraining required by methods like DOICR. Experiments on diverse datasets show that SPACR consistently gives tighter intervals and better coverage-efficiency trade-offs compared to standard CP and DOICR, while significantly reducing computational costs.


$k$-Nearest Neighbors in Gromov--Wasserstein Space

arXiv.org Machine Learning

The Gromov--Wasserstein (GW) distance provides a framework for comparing metric measure spaces, regardless of their underlying structure or geometry. For network-based data, it enables direct comparisons of graphs with different numbers of nodes, without requiring an embedding or other abstraction. Furthermore, through a variant of GW known as fused Gromov--Wasserstein (fGW), it is also possible to incorporate node features in addition to graph structure. In this work, we implement $k$-nearest neighbors ($k$-NN) classification using the GW and fGW distances. We prove the universal consistency of the GW-$k$-NN classifier on the space of equivalence classes of metric measure spaces with finite support and uniform probability measure. By viewing graphs as finitely supported metric measure spaces equipped with the pairwise distance metric and a uniform probability measure on the nodes, we obtain universal consistency of GW-$k$-NN for the space of graphs. Likewise for fGW-$k$-NN, we prove universal consistency on the space of weak isomorphism classes of structured objects consisting of metric measure spaces with finite support and uniform probability measure and feature maps into Euclidean space, thus establishing universal consistency on the space of node-attributed graphs. Our numerical experiments show that GW-$k$-NN and fGW-$k$-NN consistently perform well across multiple graph datasets, suggesting that metric classifiers such as $k$-NN work well in the GW framework.


Using Probabilistic Programs to Train Inductive Reasoning in Large Language Models

arXiv.org Machine Learning

Post-training Large Language Models (LLMs) for reasoning typically focuses on deductive tasks such as mathematics and coding where correctness is verifiable. Yet, many real-world reasoning problems are inductive: agents must infer uncertain beliefs from sparse, ambiguous observations. There are challenges to using standard fine-tuning methods for inductive reasoning, including difficulties in curating large-scale, high-quality labeled datasets and in handling targets that are inherently distributional. In this work, we introduce a novel approach, called Program-based Posterior Training (PPT), to address these limitations: we use an LLM to generate diverse open-world scenarios as probabilistic programs, run probabilistic inference to produce distributional target responses to queries, and then fine-tune on these probabilistic soft labels. Using this approach, we fine-tune LLMs on 10,000 programmatically generated scenarios and evaluate on held-out motifs, humanlabeled judgments, and external benchmarks. Overall, PPT substantially improves estimation accuracy on held-out inductive tasks, increases alignment with human judgments, and transfers to external benchmarks for estimation and calibration. Additionally, the gains in raw calibration are not subsumed by post-hoc temperature scaling, showing that the models have more deeply internalized uncertainty compared to output rescaling. Together, these results suggest that probabilisticprogram-mediated fine-tuning is a promising approach for post-training LLMs to reliably perform approximate inductive inference.


Range Penalization: Theoretical Insights with Applications in Federated Learning

arXiv.org Machine Learning

This paper introduces range regularization for federated learning with linear systematic components to enhance statistical accuracy and induce cross-client regularity conducive to quantization, coding, and resource efficiency. Our approach identifies features with shared weights across different clients and adaptively clusters the weights of personalized features at extreme values, a process we refer to as polar clustering. Theoretical analysis of the associated estimators poses significant challenges due to the seminorm nature and non-decomposability of the regularizer. We develop new proof techniques for the nonasymptotic analysis of statistical accuracy and faithful pattern recovery. Moreover, a fast optimization algorithm that leverages varying degrees of local strong convexity is proposed to reduce iteration complexity. Experiments support the efficacy and efficiency of the proposed approach.


Edge of Stability Selectively Shapes Learning Across the Data Distribution

arXiv.org Machine Learning

Existing analyses of the edge of stability (EoS) treat it as a global property of optimization. We show that it is also selective: the stability constraint redistributes learning across subsets of the training distribution, amplifying progress on some groups while suppressing progress on others. Using a branching intervention that enters or exits the EoS regime from the same training state, we causally demonstrate this trade-off and identify two necessary conditions for a group to benefit. First, its aggregate gradient must align with the top Hessian eigenvector. We isolate this mechanism with a controlled perturbation that preserves distance but randomizes direction, destroying alignment and eliminating the advantage. Second, the group must sustain non-vanishing gradient magnitude over time. Under cross-entropy loss, gradient saturation decouples confidently classified groups, shifting the advantage to output-outliers, whose gradients persist. Together, these results show that EoS functions not only as a stability boundary, but as a mechanism governing the allocation of learning across the data distribution.