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1,973 papers

#machine learning Preprint Open access Sep 2026

Attention Trajectories as a Diagnostic Axis for Deep Reinforcement Learning

The emergence and evolution of feature reliance in deep reinforcement learning agents remain poorly understood. Here, we introduce a methodological framework for analyzing the learning process through quantitative analysis of saliency maps. This approach aggregates saliency information at the object and modality level into hierarchical attention profiles, quantifying how agents allocate attention over time, thereby forming attention trajectories throughout training. These profiles are then compared across controlled conditions, connected to behavioral measurements and reproduced with different saliency methods to assess the robustness of the findings. Applied to Atari 2600 benchmarks, custom Pong environments, and biomechanical user simulations in visuomotor tasks, this framework uncovers algorithm-specific attention biases, diagnosed unintended reward-driven strategies, and overfitting to redundant sensory channels. These patterns correspond to measurable behavioral differences, demonstrating empirical links between attention profiles, learning dynamics, and agent behavior. The results establish attention trajectories as a promising diagnostic axis for tracing how feature reliance develops during training and for identifying biases and vulnerabilities invisible to performance metrics alone.

Charlotte Beylier, Hannah Selder, Arthur Fleig et al. · 0 citations
#machine learning Preprint Open access Sep 2026

A Nesterov-Accelerated Byzantine-Robust Federated Learning

We investigate robust federated learning, where a group of workers collaboratively train a shared model under the orchestration of a central server in the presence of Byzantine adversaries capable of arbitrary and potentially malicious behaviors. To simultaneously enhance communication efficiency and resilience against such adversaries, we propose a Byzantine-resilient Nesterov-accelerated federated learning (Byrd-NAFL) algorithm. Byrd-NAFL seamlessly integrates Nesterov's momentum into the federated learning process alongside Byzantine-resilient aggregation rules to achieve fast and safe convergence against gradient corruption. We establish a finite-time convergence guarantee for Byrd-NAFL under non-convex and smooth loss functions with relaxed assumptions on the aggregated gradients. Extensive numerical experiments validate the effectiveness of Byrd-NAFL and demonstrate the superiority over existing benchmarks in terms of convergence speed, accuracy, and resilience to diverse malicious attacks.

Lihan Xu, Xiaoyi Fan, Gang Wang et al. · 0 citations
#machine learning Preprint Open access Sep 2026

From Leakage to Fidelity: Reliable Benchmarking for Temporal Cascade Prediction

Temporal cascade prediction is widely studied, yet its empirical foundations remain fragile. Most existing works report results under random cascade splits that mix past and future signals, rely on datasets with limited features and no downstream conversion labels, and compare increasingly complex models without systematically examining whether benchmark conclusions are protocol-dependent. This paper argues that the field should move from leakage-prone evaluation toward fidelity-aware benchmarking. We introduce a protocol suite and renewed evaluation standard for temporal cascade prediction, centered on the Full Temporal protocol, overlap-based leakage diagnostics, and analyses of performance inflation and temporal drift. To broaden the scope of benchmark tasks, we also present Taoke, a real-world e-commerce cascade dataset with rich promoter/product features and observed purchase conversions, enabling both first-stage popularity forecasting and second-stage conversion forecasting under a shared benchmark asset. Finally, we include CasTemp as a lightweight reference method and additionally probe a larger same-task internal extension to verify that this pipeline remains operational at substantially greater scale. Together, these components turn cascade prediction from a protocol-sensitive leaderboard exercise into a more reliable analysis and benchmarking problem, while still providing a practical reference pipeline for large-scale evaluation and conversion-aware modeling.

Jie Peng, Rui Wang, Qiang Wang et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Finite-Time Convergence of Single-Trajectory Chi-Square Robust Q-Learning With Linear Function Approximation

Distributionally robust reinforcement learning seeks policies that remain effective when the deployment environment differs from the one that generated the training data. We study model-free robust Q-learning with $\chi^2$ uncertainty sets and linear function approximation, using data from a single trajectory of an unknown nominal MDP. Evaluating the $\chi^2$ robust Bellman target introduces the square root of a conditional second moment, which cannot be estimated unbiasedly from one transition, while the projected robust Bellman operator need not be contractive. We address these obstacles through a variational reformulation of the robust Bellman target and a blockwise frozen-target scheme, and establish a finite-time error bound relative to the optimal robust Q-function for every $\gamma\in(0,1)$. A neural-network experiment illustrates how the variational target can be used in a continuous-state nonlinear-control task.

Saptarshi Mandal, Yashaswini Murthy, R. Srikant · 0 citations
#machine learning Preprint Open access Sep 2026

Adaptive Resolving Methods for Markov Decision Processes with Function Approximations

Learning the optimal policy for Markov decision process problems (MDPs) from samples is a fundamental problem in online and data-driven decision-making. Function approximations are usually deployed to handle large or infinite state-action space. In our work, we consider the MDP problems with function approximation and we develop a new algorithm to solve it efficiently. Our algorithm is based on a linear programming (LP) reformulation and repeatedly resolves the identified reduced linear system as new transition samples arrive. After the optimal basis is identified, we show that, after $N$ resolving rounds, the expected averaged iterate achieves an instance-dependent $\widetilde O(C_{\mathrm{inst}}/N)$ objective shortfall and signed constraint residual. We separately account for the historical samples used for basis identification and the $d_2$ transition queries used in each resolving round, which yields the corresponding total transition-query complexity. We further complement our result with a \textit{robust} $O(1/\sqrt{N})$ bound that is independent of $\Delta$. In comparison to the guarantees established in the previous literature, our instance dependent guarantee is tighter when the underlying instance is favorable, and the numerical experiments also reveal the wide applications and efficient empirical performances of our algorithms.

Jiashuo Jiang, Yinyu Ye, Yiming Zong · 0 citations
#machine learning Preprint Open access Sep 2026

Learning Constraints-Based Adaptive Hypergraph Neural Networks for Solving Vehicle Routing Problems

The application of learning based methods to vehicle routing problems has emerged as a pivotal area of research in combinatorial optimization. These problems are characterized by vast solution spaces and intricate constraints, making traditional approaches such as exact mathematical models or heuristic methods prone to high computational overhead or reliant on the design of complex heuristic operators to achieve optimal or near optimal solutions. Meanwhile, although some recent learning-based methods can produce good performance for VRP with straightforward constraint scenarios, they often fail to effectively handle hard constraints that are common in practice. This study introduces a novel end-to-end framework that combines constraint-oriented hypergraphs with reinforcement learning to address vehicle routing problems. A central innovation of this work is the development of a constraint-oriented dynamic hyperedge reconstruction strategy within an encoder, which significantly enhances hypergraph representation learning. Additionally, the decoder leverages a double-pointer attention mechanism to iteratively generate solutions. The proposed model is trained by incorporating asynchronous parameter updates informed by hypergraph constraints and optimizing a dual loss function comprising constraint loss and policy gradient loss. The experiment results on benchmark datasets demonstrate that the proposed approach not only eliminates the need for sophisticated heuristic operators but also achieves substantial improvements in solution quality.

Zhenwei Wang, Tiehua Zhang, Jing Liu et al. · 0 citations
#machine learning Preprint Open access Sep 2026

LLM as GNN: Graph Vocabulary Learning for Text-Attributed Graph Foundation Models

Text-Attributed Graphs (TAGs), where each node is associated with text descriptions, are ubiquitous in real-world scenarios. They typically exhibit distinctive structure and domain-specific knowledge, motivating the development of a Graph Foundation Model (GFM) that generalizes across diverse graphs and tasks. Despite large efforts to integrate Large Language Models (LLMs) and Graph Neural Networks (GNNs) for TAGs, existing approaches suffer from decoupled architectures with two-stage alignment, limiting their synergistic potential. Even worse, existing methods assign out-of-vocabulary (OOV) tokens to graph nodes, leading to graph-specific semantics, token explosion, and incompatibility with task-oriented prompt templates, which hinders cross-graph and cross-task transferability. To address these challenges, we propose PromptGFM, a versatile GFM for TAGs grounded in graph vocabulary learning. PromptGFM comprises two key components: (1) Graph Understanding Module, which explicitly prompts LLMs to replicate the finest GNN workflow within the text space, facilitating seamless GNN-LLM integration and elegant graph-text alignment; (2) Graph Inference Module, which establishes a language-based graph vocabulary ensuring expressiveness, transferability, and scalability, enabling readable instructions for LLM fine-tuning. Extensive experiments demonstrate our superiority and transferability across diverse graphs and tasks. The code is available at this: https://github.com/agiresearch/PromptGFM.

Xi Zhu, Haochen Xue, Ziwei Zhao et al. · 0 citations
#machine learning Preprint Open access Sep 2026

A cautionary tale on the cost-effectiveness of collaborative AI in real-world medical applications

Background. Federated learning (FL) has gained wide popularity as a collaborative learning paradigm enabling collaborative AI in sensitive healthcare applications. Nevertheless, the practical implementation of FL presents technical and organizational challenges, as it generally requires complex communication infrastructures. In this context, consensus-based learning (CBL) may represent a promising collaborative learning alternative, thanks to the ability of combining local knowledge into a federated decision system, while potentially reducing deployment overhead. Methods. In this work we propose an extensive benchmark of the accuracy and cost-effectiveness of a panel of FL and CBL methods in a wide range of collaborative medical data analysis scenarios. The benchmark includes 7 different medical datasets, encompassing 3 machine learning tasks, 8 different data modalities, and multi-centric settings involving 3 to 23 clients. Findings. Our results reveal that CBL is a cost-effective alternative to FL. When compared across the panel of medical dataset in the considered benchmark, CBL methods provide equivalent accuracy to the one achieved by FL.Nonetheless, CBL significantly reduces training time and communication cost (resp. 15 fold and 60 fold decrease) (p < 0.05). Interpretation. This study opens a novel perspective on the deployment of collaborative AI in real-world applications, whereas the adoption of cost-effective methods is instrumental to achieve sustainability and democratisation of AI by alleviating the need for extensive computational resources.

Francesco Cremonesi, Lucia Innocenti, Sebastien Ourselin et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Anisotropic View Distance Metric for High-Dimensional Data: Theory, Geometry, and Fast Computation

K-Means clustering algorithm is one of the most commonly used clustering algorithms because of its simplicity and efficiency. K-Means clustering algorithm based on Euclidean distance only pays attention to the linear distance between Euclidean distance is an efficient and interpretable similarity measurement, but its effectiveness may deteriorate in sample spaces with anisotropic structures, redundant features, or complex feature interactions. In this paper, we propose a novel distance metric called View distance. Inspired by orthographic projection, the proposed metric projects the sample space onto $n(n-1)/2$ two-dimensional planes and defines the final distance as the sum of the Euclidean distances across the projected planes. Theoretical derivations verify that the View distance strictly satisfies the metric axioms and norm constraints. Beyond that, the View distance achieves feature coupling through projection and not only enables constant features to indirectly participate in distance calculation, but also suppresses interference from redundant features while exhibiting anisotropic geometric properties. Furthermore, to address the high computational complexity and poor scalability of full-projection View distance, we propose a two-dimensional projection plane selection strategy based on iterative Maximum Weight Matching, which reduces the computational complexity of distance calculation from $\mathcal{O}(n^2)$ to $\mathcal{O}(k)$. Extensive experiments on 12 diverse datasets demonstrate that View distance and the deterministic selection strategy provide competitive or superior performance compared with Euclidean distance and other $L_{p}$ metrics while maintaining strong interpretability and computational efficiency. The View distance provides a new perspective and option for similarity measurements.

Yiqun Zhang, Hou-biao Li · 0 citations
#machine learning Preprint Open access Sep 2026

Legibility is Not Interpretability: Comparing Judged and Actual Importance in Chain-Of-Thought Reasoning

Reasoning traces from chain-of-thought models appear to offer a legible window into how a model arrives at its answer. A growing body of work treats them as such, using LLM judges to diagnose errors, evaluate faithfulness, and provide step-level supervision via process reward models and generative critics. These practices rely on the text of a reasoning step carrying information about its functional role. But does the text actually encode information about which reasoning steps matter? We operationalize the importance of a reasoning step as its advantage: the change in expected reward, e.g., producing the correct final answer, from including that step, estimated via Monte Carlo rollouts. Basing ground truth on these estimates, we evaluate whether LLM judges can identify high-advantage steps and find that sufficiently capable LLMs can outperform a prevalence baseline but fall well short of a noise ceiling. Fine-tuning a model as a step-level critic yields strong improvement for incorrect responses but remains distant from ceiling for correct responses, suggesting that step importance is only partially recoverable from the text of the reasoning trace. Our findings contribute to a growing body of chain-of-thought faithfulness work that cautions against treating the legibility of reasoning traces as interpretability, especially with implications for process reward modeling.

Kevin Du, Alexander Hoyle, Laura Ruis et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Para-Pipe: Exploiting Hierarchical Operator Parallelism of ML Computational Graphs on SoCs

As edge-based deep learning applications become more complex, optimizing performance on heterogeneous System-on-Chips (SoCs) presents unique challenges. Traditional pipelining techniques distributing the computation across different on-chip processing units, while effective for throughput, do not address the latency demands posed by modern neural networks with complex interdependencies and extensive operator parallelism. There is a potential in leveraging operator parallelism to enable concurrent execution across multiple processing units, thereby reducing inference latency. However, prioritizing pipelining or parallel execution often necessitates a compromise, where optimizing one performance metric adversely impacts the other. This paper introduces Para-Pipe, a hierarchical mapping framework that integrates intra- and inter-stage operator parallelism within a pipelined architecture. Para-Pipe navigates the trade-off between throughput and latency by selectively fine-tuning parallelism levels within and across pipeline stages. This strategy can significantly reduce inter-processor communication overhead, significantly improving energy efficiency. Our evaluation demonstrates that Para-Pipe generates multiple Pareto-optimal configurations, achieving a balance between throughput and latency on an Amlogic SoC equipped with ARM big.LITTLE CPUs and GPU, as well as the Black Sesame Technology SoC featuring a deep learning accelerator and two DSPs. More importantly, throughput-optimized configurations under Para-Pipe on Amlogic SoC show an average energy efficiency improvement of 11.0% over purely pipelined strategies and 23.3% relative to non-pipelined parallel execution.

Yujie Zhang, Huiying Lan, Ehsan Aghapour et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Parameterised graph theory for tensor networks: entanglement rerouting, structural simplification, and agnostic tomography

Parameterised graph theory studies how the complexity of graph-theoretic problems depends on structural parameters of the input graph. This perspective has proved useful in analysing tensor-network simulation (Markov and Shi, 2008). Its implications for tensor-network representations and tomography are less well understood. In particular, which graph parameters determine whether a tensor-network state (TNS) admits a tractable matrix product state (MPS) or tree tensor network (TTN) representation, and which control the complexity of learning the state? We address these questions using parameterised graph theory. First, we show that cutwidth and tree-cutwidth bound the bond dimension overhead required to represent a TNS as an MPS or TTN. In the TTN case, tree-cutwidth also bounds the local dimension of the grouped subsystems. The proofs are based on entanglement rerouting, a tensor-network analogue of rerouting information in a classical network. Second, we derive graph-dependent upper bounds on the sample and computational complexity of realisable TNS tomography, with exponents that depend on cutwidth, tree-cutwidth, and a new graph parameter, learning complexity, which we bound in terms of degree and treewidth. We obtain these results by extending the disentangling MPS learner of (Cramer et al., 2010), as analysed further in (Bakshi et al., 2025; Lin et al., 2025), to TTNs and to tensor networks on arbitrary known graphs. Finally, we extend the framework beyond the realisable setting. For an arbitrary input state, our agnostic learner outputs a pure state whose fidelity is within additive error $\epsilon$ of the optimum over tensor-network states on the given graph with a given bond dimension, with explicit graph-dependent bounds on sample and computational complexity.

Matthias C. Caro, Natalie McHugh, Sergii Strelchuk · 0 citations

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MIT News · Artificial Intelligence Aug 27, 2026

Looking beyond natural sequences

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.