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3,121 papers

#machine learning Preprint Open access Sep 2026

Coarse-Graining Hidden Representations: Unsupervised Neuron Selection via Mapping Entropy

Overparameterized neural networks carry far more hidden units than a task nominally requires, raising the question of which neurons are essential and whether that distinction is legible in the representation itself, without labels or gradients. We cast neuron selection as the problem of coarse-graining the hidden layer by retaining a subset of its neurons, and score each putative selection by the mapping entropy (ME). This quantity measures the loss of discriminatory power inherent in discarding part of the network neurons, and the selection that minimises the ME is taken as particularly informative. This criterion is fully unsupervised, in that it depends only on hidden-activation statistics. In teacher-student networks, ME optimisation recovers the minimal teacher-consistent representation and retains extra units in proportion to the hidden layer's residual variability; in a non-linear Gaussian process task, it selects coherent functional-class mappings whose preferred class shifts across training. On this task and on translation-augmented MNIST, ME-selected subnetworks outperform random subsets of equal size, most clearly under strong compression - linking configurational distinguishability to predictive performance.

Margherita Mele, Andrea Castagna, Roberto Menichetti et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Single-Query Black-Box Calibration Auditing via Logit Bias

Evaluating the calibration of Large Language Models (LLMs) is critical for their safe deployment as zero-shot classifiers. Yet, commercial API providers increasingly hide the continuous output probabilities required by standard calibration metrics. To bypass this opacity, we demonstrate that any LLM API exposing a logit\_bias parameter can be mathematically manipulated to evaluate exact probability thresholds using strictly one query per sample. Leveraging this mechanism, we introduce a novel and provably consistent estimator of the True Calibration Error for binary tasks. Our approach therefore provides an efficient framework for auditing black-box foundation models.

Roman Plaud, Antoine Saillenfest, Matthieu Labeau et al. · 0 citations
#machine learning Preprint Open access Sep 2026

A Comparative Study of Counterfactual Explainers for Graph Neural Networks Enabling Multiple Types of Graph Edit

Counterfactual explanations for graph-structured data seek to determine minimal and realistic modifications required in an input graph to alter a model's prediction to a predefined output. Although counterfactual explainers that support modifying the graph by both adding and removing edges have recently emerged, there is still a lack of general and efficient methods, especially when considering the quality of the generated explanations. Moreover, the problem remains far from solved, as existing methods exhibit different strengths and weaknesses, often trading off between explanation size, coverage and quality. For this reason, it is important to identify where each method performs well and where it falls short, so as to guide future research in the field. Thus, our study compares six state-of-the-art (SOTA) models on a diverse set of real-world and synthetic datasets, covering both binary and multi-class graph and node classification tasks, and evaluates their performance using diverse quantitative and qualitative metrics.

Maria Myrto Villia, Filippos Gouidis, Theodore Patkos et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Deep Microcompression: Structured Pruning and Bit-packed Quantization for Microcontrollers

This paper introduces Deep Microcompression (DMC), a hardware-aware pipeline for deep learning inference on bare-metal microcontrollers. DMC integrates structured pruning, quantization-aware training, and fixed-length bit-packing to achieve a 55.8$\times$ weight compression ratio on LeNet-5 (98.77\% accuracy), generating a dependency-free C library with deterministic latency. On the RP2040 (Cortex-M0+), DMC reduces binary size by 3$\times$ versus TensorFlow Lite while matching its accuracy. Critically, DMC enables the first documented deployment of a standard CNN on the ATmega328P, a device constrained to 2KB SRAM, previously considered infeasible for CNN inference.

Opegbemi Matthias Busoye, Tolulope Matthew Busoye, Eghonghon-aye Eigbe · 0 citations
#machine learning Preprint Open access Sep 2026

Confounding-Valid Conformal Inference for Counterfactual KPIs in Wireless Networks

Conformal counterfactual inference enables network operators to use logged telemetry to reliably answer 'what-if' questions about network operation. These answers typically take the form of prediction sets that contain, with a user-defined probability, the key performance indicators (KPIs) that would have been observed under alternative control actions. A key challenge is that logged telemetry may omit variables used by the controller, resulting in hidden confounding and invalidating the statistical guarantees of counterfactual analysis. In principle, this issue can be addressed using randomized telemetry, collected by assigning control actions independently of the network state. However, because such randomization may disrupt normal operation, randomized telemetry is typically scarce, causing counterfactual analysis based solely on it to produce uninformative prediction sets. To address these challenges, we propose Confounding-Valid Counterfactual Conformal Inference (CV-CCI), which combines abundant, potentially confounded observational telemetry with limited randomized data through the General Synthetic-Powered Inference (GESPI) principle. CV-CCI leverages observational data to improve efficiency while using randomized data to retain finite-sample coverage guarantees under arbitrary hidden confounding. Experiments on two representative radio access network (RAN) control tasks show that CV-CCI remains valid under hidden confounding while producing more efficient prediction sets than state-of-the-art confounding-valid baselines.

Abdessamed Qchohi, Jessica Moysen Cortes, Matteo Zecchin · 0 citations
#machine learning Preprint Open access Sep 2026

Solution-space heterogeneity shapes federated learning dynamics across partial differential equations

Federated scientific machine learning enables institutions to train neural surrogates without centralizing local physical data, yet studies of partial differential equations (PDEs) lack a transferable definition of non-independent and identically distributed data. Existing protocols partition coordinates, coefficients, boundary conditions, or geometries according to equation-specific rules. Here, we introduce solution-space PDE-Dirichlet, a protocol that converts continuous supervised responses into reusable solution bins and quantifies the realized separation between clients through optimal transport over the geometry of these bins. We derive an exact inverse relation between population allocation heterogeneity and the Dirichlet concentration, and we establish conditions under which response heterogeneity induces gradient disagreement, local-update dispersion, and parameter divergence. Across seven controlled and public PDE tasks, three neural-operator families, and five random seeds, a lower concentration consistently increases the realized solution distance and optimization heterogeneity. The degradation in final error is task dependent: the largest effect occurs for low-viscosity Burgers, reaching 4.157 percentage points under the most heterogeneous setting, whereas additional communication or smoother dynamics can reduce the final gap despite persistent parameter separation. These results distinguish a reproducible geometric mechanism from task-dependent generalization outcomes and provide a common basis for evaluating non-IID federated PDE learning.

Ping Luo, Jiahuan Wang, Ziqing Wen et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Beyond Homoscedasticity: Decoupled Uncertainty Optimization for Deep Imbalanced Regression

Deep Imbalanced Regression (DIR) is pervasive in continuous prediction tasks across diverse modalities, such as age estimation, depth prediction, and protein mutation activity prediction, where label-scarce tail samples often carry higher practical value. However, most existing methods still learn deterministic point mappings under mean squared error or its simple variants, implicitly assuming a uniform uncertainty level across all samples and thereby overlooking the instance-wise heteroscedasticity that is widespread in long-tailed data. We further point out that even heteroscedastic negative log-likelihood suffers from a gradient coupling issue, which, under DIR scenarios, weakens the learning signal of hard tail samples and leads to optimization inertia as well as tail underfitting. To address this, we propose DUO, an uncertainty-aware long-tailed regression framework. Specifically, the proposed method models the regression target as a conditional Gaussian distribution to explicitly characterize instance-level predictive uncertainty, and transforms uncertainty into a dynamic enhancement signal for tail samples through decoupled mean-variance optimization. Furthermore, we design a distribution-guided contrastive learning mechanism that adaptively constructs positive and negative pairs based on the overlap between sample distributions, thereby alleviating feature looseness and cross-label semantic entanglement. Across visual and biological DIR benchmarks, DUO achieves the best few-shot bMAE and GM on IMDB-WIKI-DIR, AgeDB-DIR, and AAV2-DIR while remaining competitive on few-shot MAE.

Juncheng Zhou, Jiaxi Lu, Weijing Zeng et al. · 0 citations
#machine learning Preprint Open access Sep 2026

BeaconKV: Key-Value Cache Compression Guided by Beacon Queries for Efficient Large Reasoning Model Inference

Large Reasoning Models (LRMs) achieve superior problem-solving through extended Chain-of-Thought (CoT) generation, but the resulting key-value (KV) cache grows linearly with sequence length and creates severe memory bottlenecks, often exceeding GPU capacity for long reasoning traces. Existing KV cache compression methods rely on recent queries to estimate future token importance, implicitly assuming these serve as reliable proxies for future attention patterns. We demonstrate that this assumption fails in long-horizon reasoning: certain decoding steps generate Thought Revisiting Tokens (TRT) that re-attend to distant previous context, such as task-solving plans formulated early in the trace. Through systematic analysis, we discover that queries corresponding to the TRT cluster into a small number of similarity groups in the embedding space. Based on this insight, we propose BeaconKV, a training-free KV cache compression method that maintains beacon queries, compact representatives for each global query cluster, to anticipate which KV pairs will be revisited without storing the entire query history. Across four open-source LRMs and diverse reasoning benchmarks, BeaconKV generally outperforms existing compression methods, achieving up to $5.8\times$ memory reduction while nearly preserving full cache accuracy and improving throughput by over $4.3\times$.

Janghyeon Kim, Minsoo Kim, Kyuhong Shim et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Fractal basins trap latent reasoning

Reasoning allows artificial intelligence models to revisit and correct their mistakes, enabling recent frontier advances in mathematical theorem solving, software engineering, and autonomous task planning. Reasoning models are widely observed to reason for longer on harder tasks, but the general mechanism responsible for these slowdowns is unknown. Here, we show that reasoning models exhibit transient chaos, a physical consequence of the computational complexity of difficult tasks. As a consequence, we show that diverse leading reasoning models are dynamical systems with fractal basins, with fractality increasing with task difficulty across diverse tasks like Sudoku and maze solving, visual puzzles, and mathematical logic. We show that transient chaos emerges due to reasoning becoming trapped for extended durations near saddle points, which we show correspond to nearly-correct attempted solutions of the underlying problem. Our results show that reasoning slowdowns are an inevitable consequence of problem hardness in modern artificial intelligence models, and establish reasoning traces as a rich new class of dynamical system.

Jeffrey Lai, Anthony Bao, John Quinn et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Physics-Aware Random Walk Fingerprints for Scalable Power Grid Graph Classification

Recent benchmarks such as PowerGraph provide large collections of power-grid graphs for cascading-failure classification. Graph neural networks (GNNs) achieve strong predictive performance on this task, but typically require end-to-end training and model-specific tuning, while their latent representations can be difficult to relate to physically meaningful propagation patterns. Random Walk Fingerprints (RWF) offer a scalable and interpretable alternative, but existing variants primarily emphasise topology and node-level information, leaving grid-relevant operational edge states in the walk dynamics. We propose Multi-Channel Physics-Aware Random Walk Fingerprints (MC-PA-RWF) for power systems, a lightweight graph-level representation framework that introduces physical edge states into random-walk propagation. The method constructs multiple edge-weighted channels from domain-relevant attributes, extracts a channel-specific fingerprint from each weighted graph, and concatenates the resulting vectors into a compact representation. Experiments on three \textit{PowerGraph} benchmark systems show substantial improvements over topology-only RWF and competitive balanced accuracy against strong GNN baselines, including Graph Convolutional Networks (GCN), Graph Attention Networks (GAT), Graph Isomorphism Networks with edge features (GINE), and Transformer-based Graph Convolutional Networks (TransformerConv). At the largest evaluated settings, the node-edge extension MC-PA-RWF+ achieves around 98.04% - 99.32% balanced accuracy and improves failure-class F1 over the strongest GNN baseline by 1.60 -- 5.84 percentage points, with statistically significant gains across all three systems.

Adnan Anwar · 0 citations
#machine learning Preprint Open access Sep 2026

Fast Gauss Sums via Flash Attention

Gaussian kernel sums are the computational core of maximum mean discrepancies (MMDs), kernel gradient flows, Stein variational gradient descent (SVGD), and many other kernel methods. At the same time, softmax attention has received an extraordinary amount of hardware-aware code engineering, culminating in flash attention. We show that Gauss kernel sums with arbitrary, signed weights can be evaluated via flash attention: two small input augmentations turn the normalized softmax reduction into the unnormalized Gauss sum, without writing a single line of custom GPU code. For feature dimension D>8 in fp16, this approach beats compiled PyTorch code as well as PyKeOps kernels (often significantly) in speed, memory-overhead and accuracy. Indeed, its memory scaling remains linear.

Nicolaj Rux, Sebastian Neumayer · 0 citations
#machine learning Preprint Open access Sep 2026

From Deep to Shallow: Unconstrained and Efficient Layer Merging Strategy

Although Deep Neural Networks have become foundational in many areas of Machine Learning, high computational demands limit their application in resource-constrained environments. To address this issue, depth compression methods have been proposed to identify and linearize redundant activation functions, thereby allowing for the merging of layers without intermediate non-linearities. However, these methods face two key challenges: they cannot be directly applied to convolutions with padding due to the absence of an analytical solution for merging these layers, and they typically increase the kernel size of merged layers, thus limiting speed-up gains. To overcome these limitations, we propose an efficient strategy that enables merging of layers without an existing analytical solution, and also without increasing kernel size. We validate our approach across multiple architectures and datasets, and measure inference speed-up gains on real embedded platforms. We publicly released the code at https://github.com/ShulzhenkoPetr/deep-to-shallow.

Petro Shulzhenko, Gabriele Spadaro, Enzo Tartaglione · 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.

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