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Computer Science Machine Learning

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Thursday 7 May

Machine Learning

Distributional Process Reward Models: Calibrated Prediction of Future Rewards via Conditional Optimal Transport

Rachel Ma, Dylan Hadfield-Menell and Kristjan Greenewald

Inference-time scaling methods rely on Process Reward Models (PRMs), which are often poorly calibrated and overestimate success probabilities. We propose, to our knowledge, the first use of conditional optimal transport for calibrating PRMs, modifying conditional OT (CondOT) map learning \cite{bunne2022supervised} to estimate a monotonic conditional quantile function over success probabilities estimated by the PRM, conditioned on PRM hidden states. This yields structurally valid quantile estimates and enables efficient extraction of confidence bounds at arbitrary levels, which we integrate into the instance-adaptive scaling (IAS) framework of \cite{park2025know}. We evaluate on mathematical reasoning benchmarks spanning moderate-difficulty problems (MATH-500) and harder out-of-distribution problems (AIME). For PRMs with reliable ranking signals, our method substantially improves calibration over both uncalibrated PRMs and quantile regression. On downstream Best-of-N IAS performance, our method generally improves over uncalibrated PRMs. These results establish conditional optimal transport as another principled and practical approach to PRM calibration, offering structural guarantees and flexible uncertainty estimation.
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Machine Learning

Revisiting Adam for Streaming Reinforcement Learning

Florin Gogianu, Adrian Catalin Lutu and Razvan Pascanu

Learning from a sequence of interactions, as soon as observations are perceived and acted upon, without explicitly storing them, holds the promise of simpler, more efficient and adaptive algorithms. For over a decade, however, deep reinforcement learning walked the contrary path, augmenting agents with replay buffers or parallel sampling routines, in an effort to tame learning instability. Recently, this topic has been revisited by Elsayed et al. (2024), focusing on update computation through eligibility traces and modifications to the optimisation routine, resulting in the StreamQ algorithm. In this work we take a step back, investigating the efficacy of established updates, such as those implemented by DQN and C51 within this online setting. Not only do we find that they perform well, but through analysing how the optimisation algorithm generally, and Adam in particular, interacts with these updates, we contend that two properties are essential for robust performance: i) the derivative of the objective is to be bounded and ii) weight updates are variance-adjusted. Rigorous and exhaustive experimentation demonstrates that C51, which exhibits both characteristics, is competitive with StreamQ across a subset of 55 Atari games. Using these insights, we derive a variance-adjusted algorithm based on eligibility traces, termed Adaptive Q$(\lambda)$, which approaches double the human baseline on the same subset, surpassing existing methods by all performance metrics.
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Machine Learning

Sparse Attention as a Range Searching Problem: Towards an Inference-Efficient Index for KV Cache

Mohsen Dehghankar and Abolfazl Asudeh

Sparse attention improves LLM inference efficiency by selecting a subset of key-value entries, but at the cost of potential accuracy degradation. In particular, omitting critical KV entries can induce substantial errors in model outputs. Existing methods typically operate under fixed or adaptive token budgets and provide empirical robustness or partial theoretical guarantees, yet they do not ensure zero false negatives in decoding steps, particularly since the set of relevant tokens is both query- and step-dependent. Our empirical observations confirm that missing even one critical key can lead to sharp error spikes, especially in long reasoning tasks where the set of important tokens varies throughout decoding. This observation motivates the need for indexing methods that dynamically adapt to these variations across decoding steps while guaranteeing a full recall of the relevant keys above a certain threshold. We address this challenge by reformulating sparse attention as the halfspace range searching problem. However, existing range searching indices are not suitable for modern LLM inference due to their computational and implementation overheads. To overcome this, we introduce Louver, a novel index structure tailored for efficient KV cache retrieval. Louver (i) guarantees zero false negatives with respect to a specified threshold in both theory and practice, (ii) is lightweight to integrate into existing LLM pipelines, and (iii) incorporates hardware-aware optimizations for both CPU and GPU executions. Our experiments demonstrate that Louver outperforms prior sparse attention methods in both accuracy and runtime, and is faster than highly optimized dense attentions such as FlashAttention. These results highlight that recall guarantees are a critical and overlooked dimension of sparse attention, and open a new direction for building theoretically grounded, efficient KV cache indices.
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Machine Learning · Cross-listed from cs.AI

Weblica: Scalable and Reproducible Training Environments for Visual Web Agents

Oğuzhan Fatih Kar, Roman Bachmann, Yuanzheng Gong et al. (+2 more)

The web is complex, open-ended, and constantly changing, making it challenging to scale training data for visual web agents. Existing data collection attempts remain limited to offline trajectories for supervised fine-tuning or a handful of simulated environments for RL training, thus failing to capture web diversity. We propose Weblica (Web Replica), a framework for constructing reproducible and scalable web environments. Our framework leverages 1) HTTP-level caching to capture and replay stable visual states while preserving interactive behavior and 2) LLM-based environment synthesis grounded in real-world websites and core web navigation skills. Using this framework, we scale RL training to thousands of diverse environments and tasks. Our best model, Weblica-8B, outperforms open-weight baselines of similar size across multiple web navigation benchmarks while using fewer inference steps, scales favorably with additional test-time compute, and is competitive with API models.
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All authors Oğuzhan Fatih Kar, Roman Bachmann, Yuanzheng Gong, Anders Boesen Lindbo Larsen, Afshin Dehghan

Machine Learning · Cross-listed from cs.CV

R$^3$L: Reasoning 3D Layouts from Relative Spatial Relations

Zhifeng Gu, Yuqi Wang and Bing Wang

Relative spatial relations provide a compact representation of spatial structure and are fundamental to relative spatial reasoning in 3D layout generation. Recent works leverage Multimodal Large Language Models (MLLMs) to infer such relations, but the inferred relations are often unreliable and are typically handled with post-hoc heuristics. In this paper, we propose R$^3$L, a general framework that improves the reliability and consistency of relative spatial reasoning for 3D layout generation. Our key motivation is that multi-hop reasoning requires repeated reference-frame transformations, which accumulate errors in inferred relations and lead to semantic and metric drift. To mitigate this, we propose invariant spatial decomposition to break coupled relation chains, and consistent spatial imagination to promote self-consistency through an imagine-and-revise loop. We further introduce supportive spatial optimization to ease pose optimization via global-to-local coordinate re-parameterization. Extensive experiments across diverse scene types and instructions demonstrate that R$^3$L produces more physically feasible and semantically consistent layouts. Notably, our analysis shows that resolving frame-induced inconsistencies is crucial for reliable multi-hop relative spatial reasoning. The code is available at https://github.com/Neal2020GitHub/R3L.
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Machine Learning

Physics-based Digital Twins for Integrated Thermal Energy Systems Using Active Learning

Umme Mahbuba Nabila, Paul Seurin, Linyu Lin et al. (+1 more)

Real-time supervisory control of thermal energy distribution systems requires digital twins that are accurate, interpretable, and uncertainty-aware, yet remain data and computationally efficient. High-fidelity simulations alone are costly, while purely data-driven surrogates often lack robustness. To address these challenges, this work proposes an active learning (AL) framework that couples system-level Modelica simulations with four simpler physics-informed and data-driven surrogate modeling approaches: deterministic Sparse Identification of Nonlinear Dynamics with Control (SINDyC), its probabilistic multivariate-Gaussian extension (MvG-SINDyC), feedforward neural network (FNN), and gated recurrent unit (GRU) network. Tailored to each surrogate, model-specific AL query strategies are employed, including Mahalanobis-distance sampling in coefficient space for MvG-SINDyC and error-based sampling in prediction space for SINDyC, FNN, and GRU, allowing the learning process to prioritize dynamically informative trajectories. The proposed approach is demonstrated on the glycol heat exchanger (GHX) subsystem of the Thermal Energy Distribution System (TEDS) at Idaho National Laboratory. Across key GHX outputs–the bypass mass flow rate $\dot{m}_{\mathrm{GHX}}$ and heat transfer rate $Q_{\mathrm{GHX}}$-the AL framework achieves comparable predictive accuracy using as few as one-fifth of the simulation trajectories required by random sampling. Among the evaluated surrogates, the GRU achieves the highest predictive fidelity, while SINDyC remains the most computationally efficient and interpretable. The probabilistic MvG-SINDyC surrogate further enables uncertainty quantification and exhibits the largest computational gains under AL.
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All authors Umme Mahbuba Nabila, Paul Seurin, Linyu Lin, Majdi I. Radaideh

Machine Learning

Skip What You Can Predict: Predictive Repositioning for Policy Optimization for Efficient LLM Training

Ismam Nur Swapnil, Aranya Saha, Tasneea Zahra et al. (+3 more)

Reinforcement learning with verifiable rewards (RLVR) can improve the reasoning ability of large language models, but repeatedly updating a policy on the same rollout batch is expensive: every additional update requires another backward pass, and multi-step methods pay for all intermediate optimization steps. We introduce Predictive Repositioning for Policy Optimization (PrePO), which uses two observed optimizer transitions to estimate a farther point along the same-batch optimization trajectory, moves partway toward that point, evaluates the original objective there, and applies a corrective update. This gives PrePO a fixed active cost that does not grow with the virtual optimization depth. Our analysis gives finite-horizon error bounds for AdamW and Muon and shows that sufficiently accurate endpoint estimates preserve the usual descent and convergence behavior of smooth gradient descent. In RLVR experiments, PrePO reaches matched performance targets in fewer optimization steps and lower wall-clock time than the corresponding baselines. We further evaluate the same update mechanism in supervised fine-tuning on a different dataset, showing that its use is not restricted to the original RLVR setting. Together, these results suggest that PrePO provides a practical mechanism for approximating repeated same-batch optimization while avoiding the cost of explicitly executing every intermediate update.
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All authors Ismam Nur Swapnil, Aranya Saha, Tasneea Zahra, Tanvir Ahmed Khan, Mohammad Ariful Haque, Ser-Nam Lim

Machine Learning

A Closed-Form Upper Bound for Admissible Learning-Rate Steps in Belief-Space Dynamics

Zixi Li and Youzhen Li

Learning-rate steps are usually treated as hyperparameters. This paper isolates a local beliefspace calculation: when an update is modeled as a projected forward step on the probability simplex, admissibility means contractivity in the natural KL/Bregman geometry. Under this model, the upper bound of an admissible step is not a tuning slogan but a formula.
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Machine Learning

Geometric Kolmogorov–Arnold Network (GeoKAN)

Abhijit Sen, Bikram Keshari Parida, Giridas Maiti et al. (+2 more)

We introduce Geometric Kolmogorov–Arnold Networks (GeoKANs), a family of geometry-aware KAN-type models in which approximation is carried out in learned, geometry-adapted coordinates rather than in fixed Euclidean input coordinates. GeoKAN achieves this by learning a diagonal Riemannian metric that warps the input before basis expansion and feature mixing. The learned metric provides a geometric inductive bias through local length scaling and volume distortion, and in physics-informed settings it also affects the differential structure seen by the model. Within this framework, we develop three main variants, namely GeoKAN-NNMetric, GeoKAN-$\gamma$, and LM-KAN. For LM-KAN, we further consider three basis-specific versions, LM-KAN-RBF, LM-KAN-Wav, and LM-KAN-Fourier. These variants allow us to study geometry-aware KAN models both as general function approximators and as surrogates in physics-informed learning. By stretching regions with rapid variation and compressing smoother regions, GeoKAN reallocates representational resolution in a task-dependent manner, allowing the model to place capacity where it is most needed. As a result, GeoKAN is well suited to sharp, stiff, localized, and strongly non-uniform regimes arising in scientific machine learning and differential-equation problems.
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All authors Abhijit Sen, Bikram Keshari Parida, Giridas Maiti, Mahima Arya, Denys I. Bondar

Machine Learning

STDA-Net: Spectrogram-Based Domain Adaptation for cross-dataset Sleep Stage Classification

Unaza Tallal, Shruti Kshirsagar and Ankita Shukla

Accurate sleep stage classification across datasets remains challenging due to variability in EEG channel montages, sampling rates, recording environments, and subject populations. Although deep learning has shown considerable promise for automated sleep staging, most existing cross-dataset methods rely on one-dimensional EEG signal representations, whereas the use of two-dimensional spectrogram-based inputs within an unsupervised domain adaptation framework has remained largely unexplored. Here, we propose STDA-Net (Spectrogram-based Temporal Domain Adaptation Network), a framework that combines a convolutional neural network (CNN) for spectrogram-based feature extraction, a bidirectional long short-term memory (BiLSTM) module for temporal modeling of sleep dynamics, and a domain-adversarial neural network (DANN) for source-to-target feature alignment without requiring any labeled target-domain data during training. Experiments are conducted on three publicly available datasets Sleep-EDF, SHHS-1, and SHHS-2 under six cross-dataset transfer settings. Results show that the proposed framework achieves an average accuracy of 89.03% and an average macro F1-score of 87.64%, consistently outperforming existing 1D baseline methods in terms of balanced classification performance, with substantially lower variance across five independent runs, indicating improved stability and reproducibility. Overall, these findings demonstrate that 2D spectrogram-based representations, combined with temporal modeling and adversarial domain adaptation, provide a robust and competitive alternative to conventional 1D EEG inputs for cross-dataset sleep staging.
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Machine Learning

Gated QKAN-FWP: Scalable Quantum-inspired Sequence Learning

Kuo-Chung Peng, Samuel Yen-Chi Chen, Jiun-Cheng Jiang et al. (+16 more)

Fast Weight Programmers (FWPs) encode temporal dependencies through dynamically updated parameters rather than recurrent hidden states. Quantum FWPs (QFWPs) extend this idea with variational quantum circuits (VQCs), but existing implementations rely on multi-qubit architectures that are difficult to scale on noisy intermediate-scale quantum (NISQ) devices and expensive to simulate classically. We propose gated QKAN-FWP, a fast-weight framework that integrates FWP with Quantum-inspired Kolmogorov-Arnold Network (QKAN) using single-qubit data re-uploading circuits as learnable nonlinear activation, known as DatA Re-Uploading ActivatioN (DARUAN). We further introduce a scalar-gated fast-weight update rule that stabilizes parameter evolution, supported by a theoretical analysis of its adaptive memory kernel, geometric boundedness, and parallelizable gradient paths. We evaluate the framework across time-series benchmarks, MiniGrid reinforcement learning, and highlight real-world solar cycle forecasting as our main practical result. In the long-horizon setting with 528-month input window and 132-month forecast horizon, our 12.5k-parameter model achieves lower scaled Mean Square Error (MSE), peak amplitude error, and peak timing error than a suite of classical recurrent baselines with up to 13x more parameters, including Long Short-Term Memory (LSTM) networks (25.9k-89.1k parameters), WaveNet-LSTM (167k), Vanilla recurrent neural network (11.5k), and a Modified Echo State Network (132k). To validate NISQ compatibility, we further deploy the trained fast programmer on IonQ and IBM Quantum processors, recovering forecasting accuracy within 0.1% relative MSE of the noiseless simulator at 1024 shots. These results position gated QKAN-FWP as a scalable, parameter-efficient, and NISQ-compatible approach to quantum-inspired sequence modeling.
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All authors Kuo-Chung Peng, Samuel Yen-Chi Chen, Jiun-Cheng Jiang, Chen-Yu Liu, En-Jui Kuo, Yun-Yuan Wang, Prayag Tiwari, Andrea Ceschini, Chi-Sheng Chen, Yu-Chao Hsu, Chun-Hua Lin, Tai-Yue Li, Antonello Rosato, Massimo Panella, Simon See, Saif Al-Kuwari, Kuan-Cheng Chen, Nan-Yow Chen, Hsi-Sheng Goan

Machine Learning

Beyond Factor Aggregation: Gauge-Aware Low-Rank Server Representations for Federated LoRA

Jinqian Chen, Chang Liu and Jihua Zhu

Federated LoRA enables parameter-efficient adaptation of large language models under decentralized data and limited client resources.However, directly averaging LoRA factors is representation-dependent: the same intrinsic update admits infinitely many gauge-equivalent factorizations, so factor-level aggregation can change under arbitrary coordinate choices while the underlying update remains unchanged. This reveals a semantic mismatch in existing federated LoRA aggregation rules. We propose GLoRA, a gauge-aware server representation for federated LoRA.Instead of aggregating raw factors, GLoRA estimates a consensus update subspace from client projectors and aggregates client updates in shared reference coordinates, thereby representing semantic update aggregation entirely in low-rank form. To support heterogeneous client capacities, GLoRA further provides a rank-compatible readout that instantiates adapters of different ranks from the same server state without dense update reconstruction. Experiments on GLUE and SuperNI show that GLoRA consistently outperforms federated LoRA baselines under data, resource, and task heterogeneity, including heterogeneous client ranks, sparse participation, larger backbones, and unseen-task evaluation. GLoRA also achieves a favorable efficiency–performance trade-off, suggesting that effective federated LoRA requires not merely averaging low-rank factors, but defining a semantically meaningful server-side representation for aggregation.
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Machine Learning

On Training in Imagination

Nadav Timor, Ravid Shwartz-Ziv, Micah Goldblum et al. (+2 more)

State-of-the-art model-based reinforcement learning methods train policies on imagined rollouts. These rollouts are trajectories generated by a learned dynamics model and are scored by a learned reward model, but without querying the true environment during policy updates. We study this training paradigm by quantifying how errors in learned dynamics and reward models affect returns and policy optimization. First, we extend the analysis of Asadi et al. (2018) to MDPs with learned reward models, and derive the optimal sample allocation–the ratio of dynamics samples to reward samples that minimizes a bound on return error under power-law scaling assumptions. We identify lower Lipschitz constants of the learned dynamics, reward, and policy as a representation desideratum that tightens this bound, and we connect this perspective to the temporal-straightening objective of Wang et al. (2026). Second, we examine how policy optimization with REINFORCE tolerates noisy rewards, which are often cheaper to obtain. We show that zero-mean reward noise leaves the gradient estimator unbiased and adds at most a variance term that decreases with the number of rollouts. This introduces a practical tradeoff: given a fixed budget, should one buy more rollouts with cheaper but noisier rewards, or fewer rollouts with more expensive but less noisy rewards? We reduce this choice to a one-dimensional optimization problem and characterize the optimum.
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All authors Nadav Timor, Ravid Shwartz-Ziv, Micah Goldblum, Yann LeCun, David Harel

Machine Learning · Cross-listed from cs.CR

When Routine Chats Turn Toxic: Unintended Long-Term State Poisoning in Personalized Agents

Xiaoyu Xu, Minxin Du, Qipeng Xie et al. (+3 more)

Personalized LLM agents maintain persistent cross-session state to support long-horizon collaboration. Yet, this persistence introduces a subtle but critical security vulnerability: routine user-agent interactions can gradually reshape an agent's long-term state, inadvertently weakening future confirmation boundaries, expanding tool-use defaults, and escalating autonomous behavior over time. We formalize this risk as unintended long-term state poisoning. To systematically study it, we introduce the Unintended Long-Term State Poisoning Bench (ULSPB), a bilingual benchmark comprising $350$ settings spanning five assistance categories, seven interaction patterns, 24-turn routine interactions, and matched single-injection counterparts. Furthermore, we define the Harm Score (HS), a state-centric metric that quantifies authorization drift, tool-use escalation, and unchecked autonomy. Experiments on OpenClaw with four backbone LLMs demonstrate that, while single-injection is generally effective, routine conversations alone can substantially poison long-term state, primarily corrupting memory-centric artifacts. Evaluations seeded with real-world user interactions confirm that this risk is not a mere artifact of synthetic prompts. To mitigate this threat, we propose StateGuard, a lightweight, post-execution defense that audits state diffs at the writeback boundary and selectively rolls back dangerous edits. Across all evaluated models, StateGuard reduces HS to near zero and lowers false-negative rates, with acceptable high false-positive rates under a safety-first writeback defense and minimal overhead.
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All authors Xiaoyu Xu, Minxin Du, Qipeng Xie, Haobin Ke, Qingqing Ye, Haibo Hu

Machine Learning

Semantic State Abstraction Interfaces for LLM-Augmented Portfolio Decisions: Multi-Axis News Decomposition and RL Diagnostics

Likhita Yerra and Remi Uttejitha Allam

We introduce Semantic State Abstraction Interfaces (SSAI): a methodological template for mapping sparse unstructured text into $K$ auditable, named coordinates with neutral defaults on no-news days, designed to separate representation hypotheses from optimisation variance in sequential decision systems. Our contribution is the framework and its evaluation protocol, not a claim that SSAI outperforms denser alternatives. We instantiate SSAI with $K=4$ axes (sentiment, risk, confidence, volatility forecast) on a US-equity panel (30 NASDAQ-100 names, FNSPID news, 2019–2023 test), and evaluate it across direct factor portfolios, supervised ridge forecasters, and RL agents (DP-PPO, SAC) that share the same fixed $\phi$. The four-factor factor portfolio reaches 307.2% cumulative return and Sharpe 1.067, but apparent gains versus buy-and-hold (243.6%) fail coverage-stratified controls, reverse at $\geq 0.2$% costs, and are statistically fragile versus a sentiment-only baseline; a PC1 composite and a FinBERT portfolio baseline are stronger ranking signals in this setting. Ridge and RL blocks diagnose representation versus optimiser effects. We position SSAI as an interpretability-performance diagnostic and reusable protocol for sparse-text decision systems.
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Machine Learning

The E$\Delta$-MHC-Geo Transformer: Adaptive Geodesic Operations with Guaranteed Orthogonality

Arash Shahmansoori

We present the E$\Delta$-MHC-Geo Transformer, a novel architecture that unifies Manifold-Constrained Hyper-Connections (mHC), Deep Delta Learning (DDL), and the Cayley transform to obtain input-adaptive, unconditionally orthogonal residual connections. Unlike DDL, whose Householder operator is orthogonal only at $\beta \in \{0,2\}$, our Data-Dependent Cayley rotation $Q(x)=(I+(\beta/2)A(x))^{-1}(I-(\beta/2)A(x))$ preserves orthogonality for all $\beta$ and all inputs. To handle negation, an eigenvalue $-1$ case that Cayley provably excludes, we introduce the E$\Delta$-MHC-Geo Hybrid, which combines Cayley rotation with Householder reflection via a learned operator-selection gate $X'=\gamma(X)Q(X)X+(1-\gamma(X))H_2(X)X$. A midpoint-collapse regularizer, $4\gamma(1-\gamma)$, encourages boundary gate decisions, where each selected component is orthogonal. In matched-parameter comparisons, with approximately 1.79M parameters per model and mean +/- standard deviation over 3 seeds, against four baselines including the concurrent JPmHC, E$\Delta$-MHC-Geo achieves the best long-horizon stability, 1.9x over JPmHC and 3.8x over GPT; the best near-$\pi$ rotation loss, 4.5x over JPmHC on single-plane; strong norm preservation, with 0.001 mean deviation; and 0.96 negation cosine alignment in a diagnostic reflection probe, all with 33% fewer layers. While JPmHC's wider representation excels on pure rotation, its finite Cayley residual mixer excludes an exact $\lambda=-1$ operator and has no reflection branch, motivating our hybrid approach for accessing both connected components of $O(n)$.
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Machine Learning

Medical Imaging Classification with Cold-Atom Reservoir Computing using Auto-Encoders and Surrogate-Driven Training

Nuno Batista, Ana Morgado, Oscar Ferraz et al. (+3 more)

We introduce a hybrid quantum-classical pipeline, based on neutral-atom reservoir computing, for medical image classification, focusing on the binary classification task of polyp detection. To deal effectively with the high dimensionality, we integrate a guided auto-encoder. This pipeline learns compact and discriminative representations of image data that are also well-suited for quantum reservoir computing. A key challenge in such systems is the non-differentiable nature of quantum measurements, which creates a 'gradient barrier' for standard training. We overcome this barrier by incorporating a differentiable surrogate model that emulates the quantum layer, enabling end-to-end backpropagation through the entire system. This guided training process is jointly optimized for classification accuracy and for faithful image recovery from the auto-encoder. The learned latent representations are encoded as pulse detuning parameters within a Rydberg Hamiltonian, and quantum embeddings are subsequently obtained through expectation values. These embeddings are then passed to a linear classifier. Our simulations show that this method outperforms some traditional approaches that use PCA or unguided autoencoders. We also conduct ablation studies to assess the impact of various quantum and training parameters, demonstrating the robustness and flexibility of our proposed pipeline for real-world medical imaging applications, even in the current NISQ era.
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All authors Nuno Batista, Ana Morgado, Oscar Ferraz, Sagar Silva Pratapsi, Jorge Lobo, Gabriel Falcao

Machine Learning

Transformer-Based Wildlife Species Classification from Daily Movement Trajectories

Obed Irakoze and Prasenjit Mitra

Inferring the identity of wildlife species from daily movement data alone is a challenging task. We train sequence models on large-scale, 7-species GPS trajectories from the Movebank platform. Trajectories models are evaluated using a protocol in which entire telemetry studies or regions are heldout during testing. We compare Transformer-based sequence models to LSTM, CNN, and Temporal Convolutional Networks, and find that Transformers consistently achieve higher balanced accuracy with gains of approximately 8 to 22 percentage points, depending on the species and experimental setting. In an elephant binary classification task with 1-hour resolution, the Transformer achieves a balanced accuracy of 0.83 and an AUC of 0.92, substantially outperforming all baseline models. We examine, under data-limited conditions, feature representations by analyzing the differences between a basic displacement-based encoding and an expanded range of movement descriptors that include speed, direction, and turning behavior. With feature augmentation, we see clear performance gains, especially for underrepresented and sparsely represented species, such as large carnivores, lions, and Zebras. Finally, experiments comparing 1-hour and 30-minutetemporal resolutions show that while finer sampling can capture short-term movement patterns for some species, a unified 1-hour resolution yields more promising performance across studies by reducing missing data and ensuring consistent temporal coverage.
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Machine Learning

Enabling Unsupervised Training of Deep EEG Denoisers With Intelligent Partitioning

Qiyu Rao, Haozhe Tian, Homayoun Hamedmoghadam et al. (+1 more)

Denoising electroencephalogram (EEG) is an inherently challenging task, since neural activity is not only subtle but also inseparable from spectrally overlapping noise artifacts. Today, effective EEG denoising is more important than ever, given the rapid adoption of wearables across various applications. Deep learning methods have shown promising results in decomposition-free denoising that handles the time-varying pervasive EEG artifacts. However, training highly expressive neural networks requires artifact-free EEG, which is inherently unobtainable. To address this, we propose Intelligent Partitioning for Self-supervised Denoising (iPSD). Our method eliminates the need for clean references by learning to partition an input EEG segment into independent noisy realizations with the same underlying signal. This enables self-supervision of deep learning denoisers, even in zero-shot settings where only a single EEG segment to be denoised is available. We validate iPSD through extensive experiments, including validations on wearable EEG from in-ear sensors. The results show that iPSD achieves state-of-the-art performance, most notably under extremely low signal-to-noise ratios (down to -10 dB) and challenging artifacts (e.g., EMG), with spectral fidelity orders of magnitude higher than competitive baselines.
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All authors Qiyu Rao, Haozhe Tian, Homayoun Hamedmoghadam, Danilo Mandic

Machine Learning · Cross-listed from cs.AI

When Does a Language Model Commit? A Finite-Answer Theory of Pre-Verbalization Commitment

Long Zhang, Wei-neng Chen, Feng-feng Wei et al. (+1 more)

Language models often generate reasoning before giving a final answer, but the visible answer does not reveal when the model's answer preference became stable. We study this question through a narrow computable object: finite-answer preference stabilization. For a model state and specified answer verbalizers, we project the model's own continuation probabilities onto a finite answer set; in binary tasks this yields an exact log-odds code, $\delta(\xi)=S_\theta(\mathrm{yes}\mid\xi)-S_\theta(\mathrm{no}\mid\xi)$. This target defines parser-based answer onset, retrospective stabilization time, and lead without relying on greedy rollouts or learned probes. In controlled delayed-verdict tasks with Qwen3-4B-Instruct, the contextual finite-answer projection stabilizes before the answer is parseable, with 17–31 token mean lead in the main templates and positive, shorter lead in a parser-clean replication. The signal tracks the model's eventual output rather than truth, is linearly recoverable from compact hidden summaries, is partly separable from cursor progress, and transfers as shared information without a single invariant coordinate. Diagnostics separate the measurement from online stopping, verbalizer-free belief, and causal answer control; exact steering shows local sensitivity of $\delta$ but not reliable generation control.
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All authors Long Zhang, Wei-neng Chen, Feng-feng Wei, Zi-bo Qin

Machine Learning

Conditional generation of antibody sequences with classifier-guided germline-absorbing discrete diffusion

Justin Sanders, Luca Giancardo, Lan Guo et al. (+4 more)

Antibody therapeutics are among the most successful modern medicines, yet computationally designing antibodies with desirable binding and developability properties remains challenging. While protein language models (pLMs) have emerged as powerful tools for antibody sequence design, existing approaches largely suffer from two key limitations: they predominantly memorize germline sequences rather than modeling biologically meaningful somatic variation, and they offer limited support for flexible classifier-guided conditional generation. We address these challenges through two primary contributions. First, we demonstrate that discrete diffusion fine-tuning achieves strong language modeling performance on antibody sequences while allowing for generation conditioned on any off-the-shelf classifier. Second, we introduce germline absorbing diffusion, a novel modification of the discrete diffusion noise process in which the germline sequence - rather than a masked sequence - serves as the absorbing state. This biologically motivated inductive bias restricts the model to learning the trajectory from germline to observed sequence, effectively excluding genetic variation and V(D)J recombination statistics from the learned distribution and dramatically mitigating germline bias. We show that germline diffusion improves non-germline residue prediction accuracy from 26 percent to 46 percent, approaching the theoretical upper bound set by true biological variability. We then demonstrate the utility of our germline diffusion model on the conditional generation tasks of sampling antibodies with improved hydrophobicity and predicted binding affinity. On both tasks our model shows an improved tradeoff between class adherence and sample quality, significantly outperforming EvoProtGrad, a popular strategy to sample from pLMs with gradient-based discrete Markov Chain Monte Carlo.
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All authors Justin Sanders, Luca Giancardo, Lan Guo, Yue Zhao, Kemal Sonmez, Nina Cheng, Melih Yilmaz

Machine Learning · Cross-listed from cs.CR

TUANDROMD-X: Advanced Entropy and Visual Analytics Dataset for Enhanced Malware Detection and Classification

Parthajit Borah, Upasana Sarmah, D.K. Bhattacharyya et al. (+1 more)

Malware and malware-based attacks are becoming more prevalent and complex. Attackers regularly come up with new techniques that have the ability to evade conventional and signature-based malware defense. In order to address such threats, there is an increasing demand for advanced and better defense solutions. Machine learning-based techniques are efficiently capable of defending against malware and malware-based attacks. Nevertheless, creating and efficiently testing such techniques demand high-quality datasets having samples of various malware families as well as goodware. The lack of such datasets continues to be a major bottleneck in malware research. In this paper, we introduce TUANDROMD-X, a multiclass malware dataset with visual and entropy-based features of each sample, distinctly identifying malware from goodware. The dataset is created based on static analysis, lowering the overhead that comes with high feature engineering and dynamic analysis. As a result, TUANDROMD-X facilitates researchers and cyber-security experts to design faster and better malware detection systems.
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All authors Parthajit Borah, Upasana Sarmah, D.K. Bhattacharyya, J.K. Kalita

Machine Learning · Cross-listed from cs.CV

ActCam: Zero-Shot Joint Camera and 3D Motion Control for Video Generation

Omar El Khalifi, Thomas Rossi, Oscar Fossey et al. (+6 more)

For artistic applications, video generation requires fine-grained control over both performance and cinematography, i.e., the actor's motion and the camera trajectory. We present ActCam, a zero-shot method for video generation that jointly transfers character motion from a driving video into a new scene and enables per-frame control of intrinsic and extrinsic camera parameters. ActCam builds on any pretrained image-to-video diffusion model that accepts conditioning in terms of scene depth and character pose. Given a source video with a moving character and a target camera motion, ActCam generates pose and depth conditions that remain geometrically consistent across frames. We then run a single sampling process with a two-phase conditioning schedule: early denoising steps condition on both pose and sparse depth to enforce scene structure, after which depth is dropped and pose-only guidance refines high-frequency details without over-constraining the generation. We evaluate ActCam on multiple benchmarks spanning diverse character motions and challenging viewpoint changes. We find that, compared to pose-only control and other pose and camera methods, ActCam improves camera adherence and motion fidelity, and is preferred in human evaluations, especially under large viewpoint changes. Our results highlight that careful camera-consistent conditioning and staged guidance can enable strong joint camera and motion control without training. Project page: https://elkhomar.github.io/actcam/.
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All authors Omar El Khalifi, Thomas Rossi, Oscar Fossey, Thibault Fouque, Ulysse Mizrahi, Philip Torr, Ivan Laptev, Fabio Pizzati, Baptiste Bellot-Gurlet

Machine Learning

UniPool: Learning Expert-to-Layer Ownership from Brief Global Access

Minbin Huang, Han Shi, Chuanyang Zheng et al. (+5 more)

Most Mixture-of-Experts (MoE) transformers preassign each expert to one layer for the whole of training. We study whether a brief global-access phase can learn a compatible expert-to-layer allocation that is then executed privately. UniPool-Lock gives every layer its own router over one global pool, balances aggregate pool usage, and scores experts with a scale-stable NormRouter. After the short ownership-learning phase, it assigns each expert to one layer, locks the disjoint allocation, and continues training as a layer-private MoE. With the same expert-FFN budget and routed expert FLOPs, this recipe lowers held-out loss relative to vanilla MoE by 0.024-0.037 across five dense-equivalent scales from 182M to 1.5B, including -0.0247 at 1.5B after 60B tokens. The ownership-learning phase lasts 2K steps, about 3.3% of training, and post-lock step time is within -0.7% to +2.8% of vanilla MoE in our throughput measurements. Controls locate the gain in full-pool training and in the allocation it produces: a random disjoint allocation fixed at initialization, trained with the same router and losses, matches vanilla, whereas locking the allocation learned during the full-pool phase recovers nearly all of the persistent full-pool gain, and substituting a random allocation at the lock forfeits about half of it. Keeping full-pool access throughout training (UniPool-Full) also improves over vanilla MoE at four scales and outperforms it with only 66.7% (182M) to 50% (469M and 650M) of its expert parameters.
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All authors Minbin Huang, Han Shi, Chuanyang Zheng, Yimeng Wu, Guoxuan Chen, Xintong Yu, Yichun Yin, Hong Cheng

Machine Learning

Verifier-Backed Hard Problem Generation for Mathematical Reasoning

Yuhang Lai, Jiazhan Feng, Yee Whye Teh et al. (+1 more)

Large Language Models (LLMs) demonstrate strong capability in solving scientific and mathematical problems, yet they struggle to produce valid and challenging novel problems – an essential component for advancing LLM training and enabling autonomous scientific research. Existing problem generation approaches either depend on expensive human expert involvement or adopt naive self-play paradigms, which frequently yield invalid problems due to reward hacking. This work introduces VHG, a verifier-backed hard problem generation framework built upon three-party self-play. By integrating an independent verifier into the conventional setter-solver duality, our design constrains the setter's reward to be jointly determined by problem validity (evaluated by the verifier) and difficulty (assessed by the solver). We instantiate two verifier variants: a Hard symbolic verifier and a Soft LLM-based verifier, with evaluations conducted on indefinite integral tasks and general mathematical reasoning tasks. Experimental results show that VHG substantially outperforms all baseline methods by a clear margin. Our code is available at https://github.com/Miaow-Lab/VHG.
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All authors Yuhang Lai, Jiazhan Feng, Yee Whye Teh, Ning Miao

Machine Learning

Why Global LLM Leaderboards Are Misleading: Small Portfolios for Heterogeneous Supervised ML

Jai Moondra, Ayela Chughtai, Bhargavi Lanka et al. (+1 more)

Ranking LLMs via pairwise human feedback underpins current leaderboards for open-ended tasks, such as creative writing and problem-solving. We analyze ~89K comparisons in 116 languages from 52 LLMs from Arena, and show that the best-fit global Bradley-Terry (BT) ranking is misleading. Nearly 2/3 of the decisive votes cancel out, and even the top 50 models according to the global BT ranking are statistically indistinguishable (pairwise win probabilities are at most 0.53 within the top 50 models). We trace this failure to strong, structured heterogeneity of opinions across language, task, and time. Moreover, we find an important characteristic - *language* plays a key role. Grouping by language (and families) increases the agreement of votes massively, resulting in two orders of magnitude higher spread in the ELO scores (i.e., very consistent rankings). What appears as global noise is in fact a mixture of coherent but conflicting subpopulations. To address such heterogeneity in supervised machine learning, we introduce the framework of $(\lambda, \nu)$-portfolios, which are small sets of models that achieve a prediction error at most $\lambda$, "covering" at least a $\nu$ fraction of users. We formulate this as a variant of the set cover problem and provide guarantees using the VC dimension of the underlying set system. On the Arena data, our algorithms recover just 5 distinct BT rankings that cover over 96% of votes at a modest $\lambda$, compared to the 21% coverage by the global ranking. We also provide a portfolio of 6 LLMs that cover twice as many votes as the top-6 LLMs from a global ranking. We further construct portfolios for a classification problem on the COMPAS dataset using an ensemble of fairness-regularized classification models and show that these portfolios can be used to detect blind spots in the data, which might be of independent interest to policymakers.
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All authors Jai Moondra, Ayela Chughtai, Bhargavi Lanka, Swati Gupta

Machine Learning

Optimizer-Model Consistency: Full Finetuning with the Same Optimizer as Pretraining Forgets Less

Yuxing Liu, Jianyu Wang and Tong Zhang

Optimizers play an important role in both pretraining and finetuning stages when training large language models (LLMs). In this paper, we present an observation that full finetuning with the same optimizer as in pretraining achieves a better learning-forgetting tradeoff, i.e., forgetting less while achieving the same or better performance on the new task, than other optimizers and, possibly surprisingly, LoRA, during the supervised finetuning (SFT) stage. We term this phenomenon optimizer-model consistency. To better understand it, through controlled experiments and theoretical analysis, we show that: 1) optimizers can shape the models by having regularization effects on the activations, leading to different landscapes around the pretrained checkpoints; 2) in response to this regularization effect, the weight update in SFT should follow some specific structures to lower forgetting of the knowledge learned in pretraining, which can be obtained by using the same optimizer. Moreover, we specifically compare Muon and AdamW when they are employed throughout the pretraining and SFT stages and find that Muon performs worse when finetuned for reasoning tasks. With a synthetic language modeling experiment, we demonstrate that this can come from Muon's strong tendency towards rote memorization, which may hurt pattern acquisition with a small amount of data, as for SFT.
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Machine Learning

When No Benchmark Exists: Validating Comparative LLM Safety Scoring Without Ground-Truth Labels

Sushant Gautam, Finn Schwall, Annika Willoch Olstad et al. (+6 more)

Many deployments must compare candidate language models for safety before a labeled benchmark exists for the relevant language, sector, or regulatory regime. We formalize this setting as benchmarkless comparative safety scoring and specify the contract under which a scenario-based audit can be interpreted as deployment evidence. Scores are valid only under a fixed scenario pack, rubric, auditor, judge, sampling configuration, and rerun budget. Because no labels are available, we replace ground-truth agreement with an instrumental-validity chain: responsiveness to a controlled safe-versus-abliterated contrast, dominance of target-driven variance over auditor and judge artifacts, and stability across reruns. We instantiate the chain in SimpleAudit, a local-first scoring instrument, and validate it on a Norwegian safety pack. Safe and abliterated targets separate with AUROC values between 0.89 and 1.00, target identity is the dominant variance component ($\eta^2 \approx 0.52$), and severity profiles stabilize by ten reruns. Applying the same chain to Petri shows that it admits both tools. The substantial differences arise upstream of the chain, in claim-contract enforcement and deployment fit. A Norwegian public-sector procurement case comparing Borealis and Gemma 3 demonstrates the resulting evidence in practice: the safer model depends on scenario category and risk measure. Consequently, scores, matched deltas, critical rates, uncertainty, and the auditor and judge used must be reported together rather than collapsed into a single ranking.
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All authors Sushant Gautam, Finn Schwall, Annika Willoch Olstad, Fernando Vallecillos Ruiz, Birk Torpmann-Hagen, Sunniva Maria Stordal Bjørklund, Leon Moonen, Klas Pettersen, Michael A. Riegler

Machine Learning · Cross-listed from cs.IR

Superintelligent Retrieval Agent: The Next Frontier of Agentic Retrieval

Zeyu Yang, Xu Han, Qi Ma et al. (+2 more)

Retrieval-augmented agents are increasingly the interface to large knowledge bases, yet most treat retrieval as a black box: they issue exploratory queries, inspect snippets, and reformulate until evidence emerges. This resembles how a newcomer searches an unfamiliar database rather than how an expert navigates it with strong priors about terminology and likely evidence, causing extra retrieval rounds, latency, and poor recall. We introduce Superintelligent Retrieval Agent (SIRA), which casts superintelligence in retrieval as compressing multi-round exploratory search into a single corpus-discriminative retrieval action. SIRA does not merely ask which terms are relevant; it asks which terms separate the desired evidence from corpus-level confusers. Offline, an LLM enriches each document with missing search vocabulary; at query time, it predicts evidence vocabulary the query omits; and corpus statistics serve as tool calls that filter terms that are absent, overly common, or unlikely to create retrieval margin. The final step is a single weighted BM25 call combining the query with the validated expansion. Across ten BEIR benchmarks, SIRA achieves the strongest average retrieval performance in our comparison, beating dense retrievers, learned sparse retrievers, and LLM search-agent baselines while using no relevance labels or retriever fine-tuning. On downstream QA, its retrieval-only answer coverage exceeds recent RL-trained agentic QA systems on NQ and HotpotQA. We also introduce BrowseComp-Wikipedia, a hard-search benchmark of 232 BrowseComp-derived queries over a 25,587,229-document Wikipedia index. Even without index-time enrichment, using only grounded Wikipedia categories, SIRA outperforms multi-round Perplexity agents at every budget, reaching 9.70% Recall@1, 15.27% Recall@10, and 36.14% Recall@100.
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All authors Zeyu Yang, Xu Han, Qi Ma, Jason Chen, Anshumali Shrivastava

Machine Learning

Inductive Venn-Abers and related regressors

Ivan Petej and Vladimir Vovk

Venn-Abers predictors are probabilistic predictors that enjoy appealing properties of validity, but their major limitation is that they have been applicable only to binary classification, apart from a recent extension to bounded regression. We generalize them to the case of unbounded regression, which requires adding an element of conformal prediction. In our simulation and empirical studies we investigate the predictive efficiency of point regressors derived from Venn-Abers regressors and argue that they somewhat improve the predictive efficiency of standard regressors for larger training sets.
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