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Thursday 18 June

Machine Learning

Efficiently Representing Algorithms With Chain-of-Thought Transformers

The increasing popularity of reasoning models – language models that output a series of reasoning or thought tokens before producing an answer – is justified, in part, by theoretical results showing that chain-of-thought (CoT) transformers can simulate Turing machines, and thus perform arbitrary computation. However, the Turing machine, while suitable for complexity-theoretic analysis, is not convenient, intuitive, or efficient for discussing algorithms. Algorithms are typically designed and analyzed at a higher level of abstraction, captured by the Word RAM model with random-access memory and unit-cost operations on $\bigO(\log n)$-bit words. As a result, Word RAM algorithms can be substantially more efficient than their Turing machine counterparts, raising the question: Can CoT transformers efficiently simulate Word RAM algorithms? For instance, can they sort $n$ items in $\bigO(n \log n)$ steps or run Dijkstra's algorithm in $\bigO(E + V \log V)$ steps? We answer affirmatively, up to poly-logarithmic overhead. We first establish this for finite-precision transformers with poly-logarithmic width and rightmost unique hard attention, then strengthen the result to two more practical settings with finite width and log-precision: continuous CoT, where reasoning takes the form of vectors rather than tokens, and a hybrid architecture in which transformer layers sit atop a recurrent (linear RNN) layer. In all three cases, we find that CoT can efficiently simulate any Word RAM algorithm with only a poly-logarithmic overhead in $n$. This overhead reduces to log-square when the Word RAM has a “flat” instruction set, and only logarithmic for multiplication-free flat instructions – in stark contrast to known CoT simulations of Turing machines, which require quadratic overhead over Word RAM.
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All authors Yanhong Li, Anej Svete, Ashish Sabharwal, William Merrill

Machine Learning

Multi-Granular Attention-Driven Reinforcement Learning Framework for Web Intelligent Enhancement Systems

From the past few years, web intelligent enhancement systems increasingly rely on heterogeneous and dynamic web data to deliver personalized, context-aware services. However, traditional machine learning, deep learning, and reinforcement learning models often struggle with semantic understanding, adaptability, and scalability in continuously evolving web environments. In this research, a Multi-Granular Attention-based Reinforcement Web Intelligent Enhancement System (MGAR-WIES) is proposed to address the challenges by integrating semantic graph modeling, attention mechanisms, and adaptive reinforcement learning. Initially, heterogeneous web data comprising structured, semi-structured and unstructured sources are collected and preprocessed for generating unified feature representations. These representations are transformed into a dynamic semantic graph, where entities and their relationships are modeled by using graph embeddings enhanced by attention mechanisms for capturing both local relevance and global contextual dependencies. Subsequently, an adaptive multi-agent reinforcement learning strategy leverages the attention-aware semantic states to optimize personalized web actions like content recommendation, navigation optimization, and service adaptation. Finally, the continuous online feedback is further integrated to update graph representations and learning policies in real time by ensuring sustained adaptability and performance. The proposed MGAR-WIES acheived better results in terms of accuracy (80%) when compared with existing approaches.
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All authors Navin Chhibber, Deepak Singh, Anokh Kishore, Nikita Chawla, K. Anguraj

Machine Learning

LOKI: Memory-Free Null-Space Constrained Lifelong Knowledge Editing

Lifelong knowledge editing aims to efficiently and sequentially update language models over time, as new knowledge becomes available or when the model makes mistakes, while preserving acceptable performance on past knowledge. One unresolved challenge is that existing methods modify a fixed set of layers for all new knowledge samples, reducing flexibility and increasing catastrophic forgetting. Another is requiring access to previous knowledge and extensive pre-processing to obtain data statistics. To address these challenges, we introduce LOKI, a novel approach that uses dynamic layer selection based on the Hilbert-Schmidt Independence Criterion and projects gradient updates onto the null-space of the model weights, bypassing the requirement for previous knowledge access. We show that LOKI achieves superior performance to existing approaches across a wide variety of experiments, achieving up to a 14% improvement in average accuracy.
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All authors Masih Eskandar, Miquel Sirera Perelló, Stratis Ioannidis, Jennifer Dy

Wednesday 17 June

Machine Learning · Cross-listed from cs.CL

Enhancing Extubation Failure Prediction with LLM-Derived Features from Respiratory Therapy Clinical Notes

Invasive mechanical ventilation is a lifesaving therapy, but timely, safe discontinuation is essential to preventing extubation failure (EF) and related risks to health. We present a novel approach to EF prediction that leverages features classified in free-text respiratory therapy notes using a large language model and logistic regression pipeline. Applied to a patient cohort from University of Washington Medicine, our method identifies clinically meaningful EF-related features that improve EF prediction performance when included alongside structured patient data. We further highlight how differences in target populations in prior EF prediction studies, such as heterogenous inclusion criteria and EF definition, can lead to systematic differences in model performance and hinder generalizability between studies.
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All authors Izzy Chaiken, Aditya Khowal, Neha A. Sathe, Mark M. Wurfel, Lucy Lu Wang

Machine Learning · Cross-listed from cs.DC

MUC-FL: Block-Wise Marginal Utility Contribution for Communication-Efficient Federated Learning

Federated Learning (FL) enables distributed model training without centralizing data but suffers from high communication overhead. To address this, we propose Block-Wise Marginal Utility Contribution (MUC), a framework that selectively transmits only the most impactful data blocks based on their contribution to model performance. To evaluate our framework, we apply it to a multimodal dataset integrated from multiple MIMIC clinical datasets and show that only 24 out of 1,135 candidate blocks (1.76%) carry meaningful improvement signals, enabling a potential communication reduction of 45-50% while maintaining or improving model quality. Our deduplication-based block selection achieves a macro F1 score of 0.8566 compared to 0.8155 for standard federated optimization, demonstrating that selective transmission can improve performance, particularly in underrepresented classes.
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All authors Akshay Mhatre, Vikram Karthick, Deepti Gupta, Jia Zou

Machine Learning · Cross-listed from cs.AI

Reviewing Model Collapse and Countermeasures

Driven by massive amounts of web-scale data, generative AI (GenAI) has achieved remarkable progress, enabling various applications in diverse sectors. The advances of GenAI have actuated practitioners to use AI-synthesized data for training next-generation AI models. Undeniably, using synthetic data has alleviated the increasing stringent demand for data supply. Unfortunately, it also introduces a new critical issue: in a self-consuming cycle between model and data, the model ultimately collapse, raising more trustworthiness concerns to GenAI. In recent years, increasingly more studies have investigated the phenomenon of model collapse (MC) and explored potential solutions to mitigate it. However, the review of the phenomenon of MC still remains blank. To fill this gap, this paper provides an up-to-date overview of these studies for consolidating and reviewing the progress of MC in different application scenarios and countermeasures for mitigating MC. We also highlight challenges and future research opportunities.
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Machine Learning · Cross-listed from cs.CL

Multilingual Verifier Bias in RLVR: Benchmark, Rollout Diagnosis, and the Cross-Lingual Selection Bottleneck

Reinforcement learning with verifiable rewards (RLVR) is a standard recipe for training large language models on mathematical reasoning, where an answer verifier serves as a language-neutral reward function. We show that this assumption fails in multilingual settings: an exact-match verifier turns format and script variation into language-dependent false-negative reward noise. We introduce a reusable protocol for auditing multilingual RLVR rewards: a verifier-robustness suite, a rollout-diagnosis procedure, and language-conditioned reward-error metrics for Japanese, English, and Chinese answers. On MGSM rollouts with k=8, the exact-match proxy rejects trusted-correct answers at sharply different rates by language across Qwen3-4B, Qwen3-8B, and Llama-3.1-8B-Instruct; for Qwen3-8B, the false-negative rate reaches 0.642 on JP against 0.122 on EN and 0.073 on CN. A plain-numeric probe localizes the mechanism to the final-answer interface: an interface model drives reward-error VLB to zero while the residual accuracy gap is unchanged. We then expose a cross-lingual selection bottleneck: on MGSM250 rollouts, a target-local aggregation rule using no trusted labels closes 55-78% of the average selection gap, and over 95% of repairs require genuine cross-lingual support. The bottleneck replicates on a 483-problem MATH-500 set. A controlled training audit shows that rule-GRPO raises trusted accuracy while the reward-error VLB stays high. The unifying message is operational: multilingual RLVR rewards should be audited by language and by answer interface before they are optimized.
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Machine Learning · Cross-listed from cs.CL

TriPLU: Bypassing the Gate with Direct Trilinear Product FFNs in Tiny Language Models

We study whether tiny decoder-only language models benefit from feed-forward layers that directly multiply learned feature projections. TriPLU, a Trilinear Product Linear Unit, replaces the usual gated FFN branch with a product-only degree-3 branch that multiplies three projected streams coordinatewise. In a character-level TinyStories 1M-byte prefix study, TriPLU reaches a mean best validation loss of 1.0637, compared with 1.1017 for closely matched SwiGLU, 1.0780 for a degree-4 product control, and 1.1026 for a degree-2 control. In train-only Byte-BPE experiments, TriPLU also lowers validation and heldout bits per byte on TinyStories and WikiText-2 raw under low-learning-rate settings, with PMI-slice evidence suggesting gains on seen middle- and high-PMI adjacent-token pairs. Constant-learning-rate diagnostics show that product-branch normalization can reduce the high-learning-rate best-checkpoint gap, although final BPB still degrades under hot schedules. The resulting claim is deliberately narrow: direct product FFNs can improve fixed-budget small-model loss in specific low-compute regimes, but the branch is optimization-sensitive and does not establish FLOP-normalized efficiency, scaling behavior, or broad LLM performance.
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Machine Learning · Cross-listed from q-bio.NC

NeuroStrata: An Electroencephalographic Connectivity-Aware Deep Representation Learning Framework for Dynamic Brain Network Analysis of Mental Stress

This study introduces NeuroStrata, a connectivity-aware deep representation learning framework for EEG-based mental stress analysis using Time-Varying Partial Directed Coherence (TV-PDC). Unlike conventional EEG classification approaches based on static features, NeuroStrata models the temporal evolution of frequency-specific directed connectivity across distributed brain regions. EEG signals from the 32-channel SAM 40 dataset recorded during mental arithmetic tasks were used to generate TV-PDC connectivity maps. These maps were processed using pretrained Convolutional Neural Networks (CNNs) and Vision Transformers (ViTs) to extract deep connectivity embeddings, which were subsequently classified using lightweight machine learning models. Experimental results demonstrate that beta-band connectivity provides the highest discriminative capability, achieving a peak accuracy of 97.3% using the LAION-CLIP-ViT-L14 backbone with a Support Vector Machine classifier, while alpha-band connectivity exhibits consistently stable performance across model configurations. Connectivity analysis revealed prominent frontal-driven alpha influences and centrally integrated beta connectivity patterns associated with stress-related neural dynamics. Temporal evaluation further indicated that classification performance stabilizes in mid-to-late temporal windows, suggesting progressive consolidation of stress-related connectivity signatures. The proposed framework integrates time-varying effective connectivity modelling with deep representation learning to provide an interpretable and automated approach for EEG-based mental stress analysis.
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All authors Sayantan Acharya, Hamzeh Asgharnezhad, Abbas Khosravi, Douglas Creighton, Roohallah Alizadehsani, U Rajendra Acharya

Machine Learning · Cross-listed from cs.CY

Archetypes or ability? Clustering for modelling student mathematical competence

Personalised learning systems often assume that mathematical ability is combined of discrete abilities, acquired sequentially and dependent upon first acquiring foundational abilities, and students often report different strengths. In this work, we explore the validity of these assumptions by applying clustering methods to a large dataset of 119,034 students, spanning 13 national-level exams sat in the United Kingdom and collected by the platform. Classifying question results as pass or fail, we use a Bernoulli Mixture Model to search for latent populations which would be indicative of discrete skill-sets. We find that few distinct clusters are present in the data and that the dominant factor is overall student ability, which is further supported by the high degree of linear correlation between the probability distributions of the resulting clusters. Our best performing model achieves an accuracy of 78 percent, competitive with more complicated models in the literature whilst being more explainable. Comparing this models performance with logistic regression baselines and with k-nearest neighbours, we find a small improvement when using performance on each individual question as features. This suggests that whilst overall ability level is the dominant factor for predicting performance, small further personalisation improvements can be made by tailoring to a students exact strengths, but that students do not appear to develop strongly differing ability across topics. Our work offers a national scale test of machine learning in education and offers a new benchmark for the field, demonstrating how explainable models can reach competitive performance
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All authors Benjamin Mawdsley, Tom Quilter, Richard Turner, Sarah Jackson, Paul Edwards

Machine Learning · Cross-listed from cs.AI

HOBA: Hierarchical On-Policy Bidding Agents for Adaptive Online Advertising

Online advertising bidding systems typically deploy multiple offline-trained expert models (e.g., PID controllers, model predictive control, offline RL policies) but face two critical limitations: lack of online adaptability to non-stationary auction markets, and reliance on costly manual tuning of hyperparameters such as bid bounds and budget pacing constraints. We propose HOBA (Hierarchical On-policy Bidding Agents), a hierarchical reinforcement learning framework that decouples strategic reasoning, model selection, and bid execution across three time scales. At the high level, a large language model infers hyperparameters from contextual signals through a Think-Act-Observe-Reflect loop with historical experience retrieval. At the mid level, a SARSA agent dynamically selects among expert models, incorporating causal adjustment to eliminate selection bias. At the low level, a dynamic expert pool (PID, MPC, IQL, Decision Transformer) executes bids under high-level constraints. This design confines online learning to discrete expert selection rather than continuous bid optimization, significantly reducing exploration risk while maintaining adaptability. Experiments on the AuctionNet benchmark and a large-scale A/B test demonstrate consistent improvements over state-of-the-art baselines. In a large-scale online deployment, HOBA delivered substantial business value, achieving a +3.6% increase in target cost, proving the effectiveness of our hierarchical multi-agent bidding paradigm.
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All authors Ji Wu, Yunshan Peng, Wentao Bai, Yunke Bai, Wenzheng Shu, Jinan Pang, Yanxiang Zeng, Xialong Liu

Machine Learning · Cross-listed from cs.AI

TokenMem: Faithful Knowledge Injection for Frozen LLMs

Retrieval-augmented generation (RAG) enhances large language models (LLMs) with external knowledge, but suffers from knowledge conflicts: when retrieved information contradicts parametric memory, the shared self-attention pathway produces unpredictable outputs. We present TokenMem, a lightweight memory system that injects knowledge into frozen LLMs through a dedicated cross-attention channel, bypassing competition with parametric memory in the residual stream. TokenMem trains only a thin gating adapter ($\sim$3-7M parameters) via a two-phase curriculum: first learning general knowledge utilization, then strengthening faithful compliance under counterfactual knowledge. In controlled experiments on five models spanning three families (Qwen3-4B/8B/14B, LLaMA-3.1-8B, OLMo-3-7B), TokenMem achieves 69-70% Knowledge Compliance (KC) on counterfactual benchmarks, compared to 20-52% for vanilla RAG, a gap of up to 49 percentage points. Ablation studies show that the two-phase curriculum is critical: removing Phase 2 collapses KC to near-zero. Mechanistic analysis reveals that the gate adapter learns a conflict-aware, layer-specific injection strategy without explicit supervision.
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All authors Chengzhang Yu, Chenyang Zheng, Zening Lu, Yingru He, Yutong Huang, Yiming Zhang, Yue Xu, Zhanpeng Jin

Machine Learning

Fully-sensorized smart-eyewear platform for on-device Machine Learning

This paper presents ARGO, a smart eyewear platform designed to bridge ergonomic comfort, high computational throughput, and energy efficiency. Unlike cloud-dependent solutions, ARGO leverages the STM32N6 microcontroller and its integrated Neural Processing Unit (NPU) to enable on-device machine learning, minimizing latency and preserving user privacy through local data processing. The primary contribution lies in the holistic co-design of hardware, firmware, and artificial intelligence, centered on the deployment of an optimized YOLOv11 model for real-time urban obstacle recognition. To ensure compatibility with the target NPU, we introduce Head-wise Parallel Attention (HPA), an architectural refinement that enables efficient accelerator execution while preserving the original computational logic. The model is trained on the Walking On The Road (WOTR) dataset, and the final deployed configuration achieves an mAP50-95 of 24 under strict memory constraints, with a memory footprint of only 2.483 MB. The platform integrates a multimodal sensor suite, RGB cameras, Time-of-Flight sensors, microphones, and ambient sensors, and delivers 10 FPS at a continuous autonomy of ~113 minutes on a 200 mAh battery. These results demonstrate the feasibility of a high-performance, privacy-preserving, and socially acceptable assistive device, and highlight how competitive edge AI solutions increasingly demand tightly integrated, multidisciplinary co-design approaches.
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All authors Andrea Giudici, Christian Veronesi, Pietro Bartoli, Mario Caliò, Aurelio Teliti, Giacomo Gervasoni, Diana Trojaniello, Franco Zappa

Machine Learning

What Your Model Threw Away and Why You'll Want It Back: Masking, Fingerprinting, and Privacy from Discarded Geometry

We develop a framework for the information discarded by machine learning models whose inputs carry a Lie group action. Given a representation $\pi$ of a Lie group $G$ on a space $V$ and a learned function $f\colon V \to \mathbb{R}$, we define two objects measuring the symmetry invisible to $f$. The null fiber at a point $x \in V$ is the set $N_G(f,x) = \{g \in G : f(\pi(g^{-1}) \cdot x) = f(x)\}$ of group elements whose inverse action on $x$ is undetectable by $f$. When $N_G(f,x)$ is independent of $x$, it coincides with the stabilizer $\mathrm{Stab}_G(f)$, the largest subgroup of $G$ under which $f$ is invariant. For smooth maps to $\mathbb{R}$, the preimage theorem guarantees that null fibers have dimension at least $\dim G - 1$ at generic inputs, regardless of architecture. For compact groups acting on themselves, the Peter–Weyl theorem yields a spectral characterization of both objects in terms of the Fourier coefficient matrices of $f$. We show that null fiber elements can be computed efficiently via Newton iteration on the orbit map, at a cost comparable to a few gradient evaluations. Applications to data masking, model fingerprinting, and privacy-preserving computation are developed and tested experimentally on molecular property prediction under $\mathrm{SO}(3)$ and spherical image classification under the Möbius group $\mathrm{PSL}(2, \mathbb{C})$. The framework applies uniformly to classical neural networks and variational quantum circuits.
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Machine Learning

Prioritizing Search Space Regions in the Low Autocorrelation Binary Sequences Problem

Low autocorrelation binary sequences problem (LABS) is a hard combinatorial optimization challenge with important applications in communications, signal processing, and satellite navigation. This paper proposes a hybrid search framework that combines Thompson sampling with parallel self-avoiding walks to adaptively allocate computational effort across restriction classes of the LABS search space. By modeling partitions as arms in a multi-armed bandit setting, the proposed method dynamically shifts search resources toward partitions that empirically produce higher merit factors while maintaining exploration of less-sampled regions. The approach is further accelerated through GPU-parallel execution, shared posterior updates, efficient neighborhood evaluation, and a Bloom filter for cycle prevention. In addition, we use a two-stage optimization strategy that first searches constrained partitioned skew-symmetric spaces and then refines the best candidates in the unrestricted space. Experiments on long binary sequences show that the proposed method improves the previously best-known results for 35 sequence lengths in the range $450 \le L \le 527$ and for $L=573$. In particular, we report a new longest sequence with merit factor exceeding $8.0$, obtained for $L=451$. The results also show that Thompson sampling effectively prioritizes partitions with better observed performance, confirming the value of online, data-driven resource allocation in LABS optimization. Overall, the proposed framework provides a scalable and effective strategy for high-performance merit factor maximization.
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All authors Blaž Pšeničnik, Borko Bošković, Jan Popić, Janez Brest

Machine Learning

MawForge: Memory-Bounded Expert Materialization for Local Mixture-of-Experts Inference

Sparse Mixture-of-Experts (MoE) language models separate total parameter count from per-token active computation, but local inference systems often still require the full model, key-value cache, runtime buffers, and operatingsystem headroom to fit in fast memory. MawForge tests a different systems hypothesis: local MoE serving can be made practical on constrained unified-memory machines by storing the full model on disk, keeping common tensors resident, and materializing routed expert tensors into a bounded execution cache on demand. The central finding is that MawForge is effective as a bounded execution mechanism and measurement substrate for local MoE inference, but not as a cache-maximization policy. Performance depends on balancing expert reuse against resident footprint, KV-cache size, quantization, route locality, and macOS memory pressure.
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Machine Learning · Cross-listed from stat.AP

Estimating the Effect of Timing on Coupon Effectiveness

The coupon incentive is one of the most common tools marketers use to court users to engage with a business at various stages of the customer life cycle. A variety of factors can affect the effectiveness of a coupon incentive on users, timing being one of them. We hypothesize that coupons can be more effective when delivered at critical times in the customer journey, right when a user is engaging with the platform. Verifying such a hypothesis would typically require real time event-triggered coupon distribution software that may be too expensive to implement. In this paper, we propose a framework in which we apply causal inference on "natural randomized control trial experiments" to measure the effectiveness of sending coupons at the right time to users without requiring a dedicated AB test. We demonstrate the usefulness of our framework in the case of a user onboarding coupon campaign held in our company and show how the results can lead to correct data-driven decisions for the business. Furthermore, in order to test the generalizability of our framework, and to make our research more reproducible, we apply our framework on a user retention campaign with a publicly available dataset.
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Machine Learning · Cross-listed from quant-ph

A Hybrid Quantum-Classical Approach for Melt Pool Prediction in Laser Powder Bed Fusion

Laser powder bed fusion (LPBF) is a promising additive manufacturing technique that suffers from quality assurance concerns. Predicting melt pools from process parameters is crucial for assessing quality prior to manufacturing but remains a difficult problem because of the complex physical processes underlying LPBF. Quantum computers present a new computing paradigm, providing a new approach to information processing using quantum entanglement and superposition. This paper presents a practical demonstration of a hybrid quantum-classical model that leverages quantum computing to improve process parameter feature extraction with a quantum feature encoder. To make the quantum approach computationally feasible for large datasets, we first employ a clustering algorithm to reduce the number of expensive quantum computations. These quantum features are then processed by a classical neural network to predict the melt pool morphology, allowing for more accurate predictions of melt pools. We demonstrate the method using a quantum simulator, analyze the effect of measurement shot noise on the predictive performance of the network, and verify the results using quantum hardware. Finally, by examining which quantum features are most important, we provide insights that can inform the future design of more effective quantum encoding circuits. Ultimately, the performance improvement over purely classical networks validates the hybrid approach, demonstrating an engineering application of quantum computing using noisy and intermediate scale quantum (NISQ) devices.
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Machine Learning · Cross-listed from quant-ph

Dimensionality Reduction of QAOA Parameter Space with Kernel PCA for Max-Cut

The Quantum Approximate Optimization Algorithm (QAOA) is a leading variational algorithm for combinatorial optimization on near term quantum devices. As circuit depth increases, the number of optimization parameters grows, making the search landscape increasingly nonlinear and difficult to optimize. Previous studies have shown that optimal QAOA parameters often lie on a low dimensional manifold that can be approximated using Principal Component Analysis (PCA) at shallow circuit depths. However, the effectiveness of PCA decreases at higher depths because the underlying parameter manifold becomes increasingly nonlinear. In this work, we investigate Kernel Principal Component Analysis (KPCA) with a radial basis function kernel as a nonlinear dimensionality reduction technique for QAOA parameter optimization. The model is trained using 200 graphs from each of 3 graph families, namely Erdos-Renyi, Barabasi-Albert, and Watts-Strogatz, with graph sizes ranging from 7 to 10 nodes. Performance is evaluated on 30 test graphs containing 12 nodes at circuit depths 1, 2, 4, and 8. Experimental results demonstrate that KPCA consistently outperforms PCA at deeper circuit depths across all graph families. At depth 8, KPCA achieves approximation ratios above 0.86, while PCA declines to approximately 0.81 to 0.83. Both methods reduce the number of quantum circuit evaluations by more than 93 percent relative to unrestricted QAOA optimization. These findings suggest that nonlinear kernel methods more effectively capture the structure of the QAOA parameter manifold and provide a practical approach for scaling variational quantum optimization to deeper circuits.
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Machine Learning · Cross-listed from cs.AI

Self-Improvement Can Self-Regress: The Rise-and-Collapse Failure Mode of LLM Self-Training

Self-improvement can self-regress. In REINFORCE post-training for code, a model can quickly improve on its optimized metric and then collapse within the same training campaign. We study this in a controlled multi-seed testbed using Qwen-2.5-3B and Qwen-2.5-7B, trained on competitive-programming tasks with binary CodeGrader reward across 10 sequential 20-step campaigns. Across campaigns, pass@1 shows a robust rise-then-collapse pattern: it peaks within tens of gradient steps and then falls back, sometimes to near zero. This is not cross-task catastrophic forgetting, but within-task policy over-optimization on a fixed distribution; KL- and EWC-style constraints do not prevent it. We ask where the control loop should sit. We compare three levels: CARE, a between-campaign memory mechanism with a capability posterior, transfer gate, and regression-aware belief revision; ES, a within-campaign early-stop rule that rolls forward the peak checkpoint and sets the next budget to peak_step+3; and GRPO, which changes the RL update using group-relative reward normalization. The answer is regime-dependent. On Qwen-2.5-3B, where naive REINFORCE is fragile, CARE v2 nearly doubles end-of-chain pass@1 from 4.9% to 9.5%, with paired bootstrap 95% CI [+0.4,+8.9] and gains in 4/5 seeds. On Qwen-2.5-7B, CARE reaches parity with naive REINFORCE, 13.8% vs. 11.8%, while ES reaches 22.2% [14.1,28.0]. Out-of-the-box GRPO reaches 20.7% [15.7,25.1], nearly matching REINFORCE+ES. GRPO raises the floor but does not remove the cliff. Its 7B gain mainly comes from better between-campaign carryover, while the within-campaign peak-to-end gap remains about 17 points under both REINFORCE and GRPO. GRPO+ES gives mixed evidence: 2/3 seeds improve, but one final cliff lowers the mean to 17.0% [0.0,28.1]. A Gemma-3-4B pilot shows the same signature, suggesting the phenomenon is not limited to Qwen.
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Machine Learning

CIExplainer++: Generating Causal and Interpretable Explanations for Graph Neural Networks

Explainable Artificial Intelligence aims to make black-box models more trustworthy by presenting, in a human-understandable manner, the elements that lead to the model's output. This involves both (i) identifying components and connections with genuine causal influence on outputs and (ii) translating such structures into an interpretable representation. For the former, we introduce CIExplainer, a novel perturbation-based method grounded in causal inference for explaining Graph Neural Networks (GNNs). CIExplainer identifies the subgraph with the highest causal effects on GNN predictions using the Potential Outcome Framework. We evaluate and compare CIExplainer on various GNN architectures (GCN, GraphSAGE, GAT, GIN) and datasets. To bridge subgraph explanations with human interpretability, we further propose G2TeXplainer, a method that transforms causal subgraphs into natural language explanations that capture both feature-level and relational information.
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All authors Francisco Caldas, Sahil Satish Kumar, Ruben Belo, Cláudia Soares

Machine Learning

Massive Activations Are Architecturally Robust: A Controlled Scratch/Commitment Residual Stream Test

Trained transformers reliably develop massive activations, a small number of hidden dimensions whose magnitude is far above the median and which concentrate on the sequence-start token. Whether these outliers are a removable artifact of the residual stream's overloaded read and write role, or instead a functional necessity, is actively debated. We test the artifact hypothesis directly, with an architectural intervention. Our architecture, Ledger Residuals, splits the residual stream into a mutable scratch stream (Deliberation) that intermediate computation may freely overwrite and a protected, decode-only accumulator (Commitment) that holds the representation the model reads out. If massive activations exist only because one stream is forced to be both scratchpad and answer, then a dedicated answer channel should remove the need for them. We find that it does not. In matched-loss language models at the 160M and 290M scales, the model rebuilds the canonical fixed-dimension, start-token outlier inside the protected channel. The rebuilt feature is smaller in magnitude than in a standard transformer but more sharply concentrated on the start token, and a stronger sparsity penalty makes it more persistent and more concentrated still, rather than removing it. Massive activations therefore look architecturally robust: they re-emerge in whichever representation the model decodes from, which is what we would expect if they are functional rather than incidental. We release our architecture and measurement code.
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Machine Learning · Cross-listed from cs.CL

VeriBound: PAC-Bayesian Generalization Bounds for Process Reward Models Trained with Formal Verification Tools

Process Reward Models (PRMs) provide step-level verification for Large Language Model (LLM) reasoning, yet their training data acquisition remains a bottleneck: human annotation is costly and Monte Carlo roll-out estimates are noisy. A recent approach, FOVER, trains PRMs on step-level error labels automatically annotated by formal verification tools such as Z3 and Isabelle, and empirically observes cross-task generalization from symbolic tasks to diverse reasoning benchmarks. However, this generalization phenomenon lacks any theoretical explanation, and no formal bounds exist on the generalization error, sample complexity, convergence rate, or downstream Best-of-K performance of such PRMs. We propose VeriBound, a theoretical framework that provides PAC-Bayesian generalization bounds for PRMs trained with formal verification tools. We establish four main results: (i) a PAC-Bayesian generalization bound that relates the empirical verification error on formal-verification-annotated training data to the expected error on unseen reasoning tasks, with the bound depending on the formal verification accuracy and the divergence between training and test task distributions; (ii) a sample complexity result showing that $O(d \log(d/\delta) / \epsilon^2)$ formal-verification-annotated examples suffice to achieve generalization error $\epsilon$ with probability $1-\delta$, where $d$ is the complexity of the PRM hypothesis class; (iii) a convergence analysis proving that PRM training with formal verification labels converges at a linear rate under $L$-smoothness and bounded variance conditions; and (iv) an error propagation bound that relates step-level verification error to Best-of-K performance degradation.
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Machine Learning · Cross-listed from cs.AI

Repeated Shared Access Enables Grokking, but Edit Propagation Depends on an Addressable Memory

We study factual edit propagation in a controlled synthetic knowledge-graph QA setting using a 2x2 grid that crosses loop recurrence with shared-memory access: a dense transformer (Dense), a looped transformer (Loop), a dense backbone with shared memory (Dense+Mem), and a looped backbone with shared memory (loop-memory coupling, LMC). The two factors dissociate. For learning, both routes to repeated shared access – looped recomputation and repeated memory rereading – cross the out-of-distribution (OOD) grokking barrier that Dense fails, so repeated shared access is the behavioral regularity, not a specific architecture. For editing, the substrates split along a different axis: applying a single localized factual edit (conditioned on direct success) and measuring 2-hop propagation on a shared pre-edit-correct set, the edit propagates strongly in both memory-bearing cells (LMC 0.78-0.92, Dense+Mem 0.71-0.96) and only weakly in the memory-free ones (Loop 0.04-0.30, Dense 0.00-0.03). The split is along the memory axis, not the loop axis: every memory-bearing seed exceeds every memory-free seed, with no detectable difference between the two memory cells. Crucially Dense+Mem has no recurrence, so the propagating ingredient is an addressable site that an edit can write to and later computation rereads, not loop recomputation; Loop is at best a partial intermediate. The affordance survives coarsening the store (N=128 to N=13): propagation attenuates but the memory/no-memory split persists, so fine granularity buys precision rather than the affordance itself. These results dissociate learning competence from editing affordance – repeated shared access suffices to grok, but edit propagation depends on whether the substrate exposes an addressable memory that the forward computation can write to and later reread, an affordance that loop recurrence provides only partially.
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Machine Learning · Cross-listed from physics.chem-ph

LLM-Guided Test-Time Discovery of Quantum-Chemical Approximation Algorithms

Quantum chemistry simulations underpin modern materials discovery, yet their impact is limited by steep computational cost and dependence on fixed approximation schemes. Foundation models, such as machine-learned interatomic potentials, have accelerated parts of this workflow, but their reliance on large-scale pretraining restricts adaptability at the frontier of chemical space, where methodological innovation and sparse data are the norm. Agentic AI systems can automate existing simulation pipelines, yet they remain constrained by the predefined tools and algorithms they orchestrate. In response, we introduce LADeQ, an LLM-guided workflow that discovers, implements, and benchmarks candidate approximation algorithms at test-time within existing quantum chemistry codes. Rather than selecting from a predefined repertoire, LADeQ constructs candidate approximation schemes on demand, drawing on techniques from disciplines such as spatial statistics, circuit simulation, and kernel methods that have had little prior presence in electronic-structure theory. Because it builds on an out-of-the-box language model, LADeQ requires no task-specific pretraining or curated data, and the resulting implementations are transparent and inspectable, with explicitly traceable approximation errors that enable principled control of accuracy–efficiency trade-offs. We show that LADeQ accelerates coupled cluster singles and doubles (CCSD) and configuration interaction singles and doubles (CISD) calculations while keeping correlation-energy errors within user-specified tolerances, demonstrating autonomous, objective-driven discovery of approximation algorithms inside existing electronic-structure solvers.
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All authors Masaya Hagai, Yuta Suzuki, Tomoya Murata, Shuhei Kurita, Masaki Adachi

Machine Learning · Cross-listed from cs.AR

FPGA-Accelerated Neuromorphic Vision System for Real-Time Orbital Object Detection

The escalating congestion in orbital space demands advanced monitoring solutions. This work presents a comprehensive open-source framework for neuromorphic resident space object (RSO) detection, adapting the foundational grid clustering algorithm for FPGA acceleration. The system integrates a single event-based camera (EBC) with a custom, distributed processing architecture, where rapid spatial quantization is executed in programmable logic (FPGA) and cluster formation is managed by a software client. We validate this architecture through systematic sampling of night-sky observations from the EVAS dataset, demonstrating 97% detection accuracy for RSOs. The implementation, which serves as a foundational toolkit for event-based FPGA processing, achieves efficient throughput with a total power consumption of 8.5 W and deterministic processing latencies below 62 ms. The architecture's energy efficiency and high-precision detection position it as a viable solution for distributed space surveillance networks.
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All authors Diego Hernández, Sebastián Valdivia, Vicente Westerhout, Esteban Vera, Daniel Yunge

Machine Learning · Cross-listed from cs.RO

DF-ExpEnse: Diffusion Filtered Exploration for Sample Efficient Finetuning

A natural recipe for intelligent robotic decision-making is initializing from pretrained generative control policies, which have summarized offline experience, and adapting them to self-collected online experience. We present DF-ExpEnse, an exploration technique that improves the quality of online experience collection, thus increasing finetuning sample-efficiency. DF-ExpEnse leverages the multimodal modeling capabilities of the generative control policy to create an expressive and tractably evaluatable candidate set. It then utilizes an ensemble of critics to identify the action that best balances quality with high exploration interest. In fleet settings, DF-ExpEnse further enables cross-agent communication to facilitate collaborative exploration as a group. DF-ExpEnse can be seamlessly integrated with existing strategies that finetune pretrained generative control policies via reinforcement learning. We experimentally validate consistent sample-efficiency benefits through DF-ExpEnse across a variety of manipulation and locomotion tasks, compared to default finetuning and alternative action selection schemes. Project can be found at https://df-expense.github.io.
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Machine Learning

Convex training of Lipschitz-regularized shallow neural networks

In this work, we introduce a training procedure for shallow neural networks that promotes robustness against adversarial attacks. We solve a non-convex Lipschitz-regularized training program by introducing a convex restriction that can be efficiently solved to global optimality. Our approach can be employed as a post-processing step by taking a pre-trained network as an initial solution to then solving the convex program whose optimal network is guaranteed to be no worse than the initial one. We illustrate the improvements of our training procedure with experiments using real world datasets for regression tasks under an adversarial setting. We show numerically that solving our proposed convex program yields networks with lower objective values on the Lipschitz-regularized program compared to existing methods. Additionally, we show that on certain datasets, networks obtained using our convex training program are both more accurate and robust with respect to adversarial attacks.
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Machine Learning · Cross-listed from cs.AI

BrainG3N: A Dual-Purpose Tokenizer for Controllable 3D Brain MRI Generation

Three-dimensional (3D) brain MRI is central to clinical neurology and neuro-oncology, where generative models could augment under-represented cohorts, simulate disease trajectories, and support privacy-preserving data sharing. Latent diffusion has been the go-to solution for modeling imaging data, but it places two competing demands on the tokenizer: encoder embeddings must retain the clinical information that downstream tasks act on, and the decoder must reconstruct anatomically faithful volumes. Existing reconstruction-driven tokenizers achieve the second at the expense of the first. To address this, we introduce a fully volumetric masked-autoencoder (MAE) based tokenizer for 3D brain MRI latent diffusion, decoupling encoder and decoder: a frozen 3D MAE encoder produces clinically informative embeddings, while a dedicated CNN decoder reconstructs voxels from a linear projection of those embeddings. We pretrain the encoder on 35,309 volumes from 18 public cohorts spanning four modalities, ten disease categories, and 200+ acquisition sites, and demonstrate its dual utility in two settings. First, on a 23-task linear-probing benchmark, the encoder outperforms or matches SOTA models (i.e., BrainIAC, BrainSegFounder, and MedicalNet) on 21 of 23 tasks. Second, a conditional diffusion transformer (DiT) trained on these clinically informative embeddings supports both conditional generation across six variables and patient-specific longitudinal forecasting. Together these results establish a single 3D brain-MRI embedding space capable of both downstream clinical tasks and controllable generation.
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All authors Max Van Puyvelde, Ibrahim Gulluk, Wim Van Criekinge, Olivier Gevaert

Machine Learning · Cross-listed from stat.ML

Variational Consensus Monte Carlo for Bayesian Mixture

Motivated by the privacy, sensitivity and sharing limitations of health data, we present a comprehensive pipeline for inference of Bayesian mixture models within a federated learning setting, i.e. when data cannot be fully shared or pooled across compute nodes. We adopt a Consensus Monte Carlo (CMC) approach, in which an MCMC algorithm is run independently within each data silo to estimate local posterior distributions, which are then aggregated to approximate the posterior over the full data. The variational CMC approach of Rabinovich, Angelino and Jordan (2015) [1] frames the aggregation step as a variational inference problem, but their application to mixtures assumes the number of clusters and key mixture parameters to be known. Our main methodological contributions are: (i) an extension of variational CMC to over-fitted Bayesian mixture models that infer the number of clusters and all model parameters, without requiring conjugacy; (ii) novel cluster-matching algorithms suitable for cross-silo settings in which not every cluster appears in each local dataset; (iii) a number of inference strategies for the aggregation step, matched to different federated learning constraints; and (iv) guidelines for choosing among these in practice. A comprehensive simulation study validates the framework and allows us to compare to state-of-the-art federated learning alternatives. Notably, we show that when the composition of local datasets reflects the underlying clustering structure in the data, our approach can recover small clusters with greater accuracy than standard MCMC applied to the pooled data. We illustrate the framework on large-scale electronic health record data, identifying multi-morbidity patterns in a British geriatric population.
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All authors Julie Fendler, Francesca L. Crowe, Tom Marshall, Sylvia Richardson, Paul D.W. Kirk