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Computer Science Machine Learning

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Tuesday 7 July

Machine Learning

WHERE to Generate Matters: Budget-Aware Synthetic Augmentation for Label Skewed Federated Learning

Label skew in federated learning (FL) causes client drift and degrades global accuracy. Synthetic data augmentation can reduce this imbalance; however, full class balancing requires substantial computation cost. We propose FedEAS, a policy that assigns each client an entropy-adaptive per-class generation budget computed from its local label distribution. The budget jointly decides how much each client generates and WHERE the samples go. Accordingly, the total generation budget follows from the per-client budgets rather than being fixed in advance. FedEAS recovers most of the accuracy gain of full class balancing while reducing the generation budget by 94.1%. At the same total generation budget, it outperforms Uniform allocation by up to 18.82% across CIFAR-10 and CIFAR-100.
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Machine Learning · Cross-listed from eess.IV

Format-Controlled Multi-Scale JPEG Compression Response Analysis for Image-Level Forgery Screening

Image forgery detection is a critical task in digital forensics, yet many deep-learning localization approaches are typically GPU-accelerated and computationally heavier than handcrafted screening methods. We propose a lightweight, interpretable feature engineering pipeline for image-level forgery screening using only CPU computation and gradient boosted trees. Our method introduces multi-scale Error Level Analysis (ELA) computed at seven JPEG quality levels, combined with novel cross-quality ELA ratio features that capture double-compression artifacts characteristic of spliced regions, augmented by spatial entropy, FFT energy bands, edge density, SRM residuals, and DCT blockiness, yielding a 405-dimensional feature vector. CASIA v2.0 contains a format confound (60% of tampered images are TIFF while authentic images are JPEG/BMP and contain no TIFF samples), enabling a trivial is\_tiff classifier to reach 0.80 AUC. We address this through rigorous format-controlled evaluation: on the JPEG-only subset (9,501 images, eliminating the TIFF/JPEG container confound), our method achieves AUC~=~0.990 [95% CI: 0.988–0.991] and F1~=~0.905 using 5-fold stratified cross-validation. Under a conservative source-aware group split (preventing related images from appearing in both train and test), AUC remains 0.976. An ablation study reveals that multi-scale ELA provides the dominant gain (+0.180 AUC over single-quality on the format-controlled subset), while cross-quality ratios provide complementary double-compression detection. These results support that the method detects compression-history inconsistencies rather than file-format shortcuts – while offering feature-level interpretability, CPU-only deployment, and sub-second inference.
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Machine Learning

STAGformer: A Spatio-temporal Agent Graph Transformer for Micro Mobility Demand Forecasting

Accurate station-level demand forecasting is essential for the efficient operation of bike-sharing systems, yet it remains challenging due to complex spatio-temporal dependencies and the large scale of urban networks. This paper presents STAGformer, a Spatio-Temporal Agent Graph Transformer that achieves efficient global modeling with linear computational complexity. The model introduces a two-step agent attention mechanism, where a small set of learnable spatial and temporal agent tokens first aggregate global information and then broadcast it back to individual stations and time steps, effectively capturing long-range interactions while reducing the quadratic cost of standard self-attention to O(NT). STAGformer integrates four core modules: a spatio-temporal encoder that fuses dynamic node features with external contextual factors (weather, time, points of interest), a graph propagation module for spatial neighbor aggregation, a temporal convolution module for local pattern extraction, and the agent attention module for global dependency modeling. Extensive experiments on two real-world datasets – NYC Citi-Bike and Chicago Divvy-Bike – demonstrate that STAGformer consistently outperforms state-of-the-art baselines across multiple prediction horizons, achieving significant improvements in both RMSE and MAE. Ablation studies validate the contribution of each component, with the agent attention mechanism proving critical for modeling global spatio-temporal dependencies.
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Machine Learning · Cross-listed from cs.CL

Audio Sentiment Analysis via Distillation and Cross-Modal Integration of Generated Multilingual Transcripts

Automatically recognizing the sentiment, positive or negative, from speech is a challenging task, requiring both the analysis of vocal inflections and the interpretation of uttered words. Recent solutions rely on audio foundation models to solve the task, but it remains unclear if such models can take all aspects into account. To this end, we propose a multimodal solution that integrates audio and text information via cross-modal transformers, where text transcripts are automatically generated via an automatic speech recognition (ASR) tool. Moreover, we create multiple text modalities by automatically translating the transcripts into multiple languages via machine translation tools. Audio and multilingual text features are combined via a cascaded architecture comprising cross-modal transformer blocks that integrate modalities one by one. We further distill knowledge from the multimodal model, called teacher, into a unimodal (audio only) model, called student. We conduct experiments on a large-scale dataset, demonstrating that the automatically generated textual information can bring significant performance boosts in multimodal sentiment polarity classification. Our ablation study confirms that both automatic transcripts and automatic translations are helpful. Moreover, we show that the audio-only model can be enhanced via distillation, boosting performance without any computational overhead during inference. To reproduce the reported results, we publicly release our code at https://github.com/andreidurdun/cross-modal-audio-sentiment.
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Machine Learning

Deep Reinforcement Learning for Reliability Based Bi-Objective Portfolio Optimization

Portfolio optimization under uncertainty is inherently a multi-objective decision problem involving complex interactions among return, risk, market dynamics, and practical investment constraints. Existing reliability based portfolio optimization approaches primarily rely on static optimization frameworks and often fail to capture sequential decision making, tail risk, and market frictions such as transaction costs. To address these limitations, we propose a deep reinforcement learning framework for multi-objective reliability based portfolio optimization (MORP-DRL). The proposed framework jointly optimizes expected return and downside risk using three complementary risk measures: variance, Conditional Value-at-Risk (CVaR), and Entropic Value-at-Risk (EVaR). To model uncertainty and heavy-tailed market behavior, asset returns are represented using GARCH(1,1), Extreme Value Theory, and a t-copula dependence structure, while realistic scenarios are generated through quasi-Monte Carlo simulation. A Proximal Policy Optimization (PPO) based strategy is developed under practical constraints including transaction costs and portfolio bounds, and is benchmarked against NSGA-II. Experiments on ten global equity indices across pre-COVID, COVID, and post-COVID market regimes demonstrate that MORP-DRL achieves competitive risk-return performance, reduced downside risk during periods of market stress, and scalability to high-dimensional portfolio settings.
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All authors Sounaq Das, Tanmay Sen, Raghu Nandan Sengupta, Aditya Gupta

Machine Learning

D2PO: Optimizing Diffusion Samplers via Dynamic Preference

We propose D2PO (Dynamic Direct Preference Optimization), a principled framework for optimizing diffusion sampling policies with respect to timestep schedules and classifier-free guidance (CFG) weights. Our work is motivated by a fundamental limitation of existing student-teacher regression frameworks; low-NFE student samplers are trained to mimic high-NFEteachers, often sacrificing high-frequency texture fidelity while preserving coarse global structures, thereby misaligning the sampler with perceptual quality. D2PO addresses this challenge by reformulating sampler optimization as a preference-based alignment problem, leveraging the Direct Preference Optimization (DPO) framework. To make DPO applicable to diffusion samplers, we model the sampling policy as an energy-based model (EBM), transforming preference comparisons into tractable energy differences. We further introduce a novel energy formulation derived directly from the pretrained score network, enabling preference evaluation in perturbed spaces that jointly capture structural consistency and fine-grained details. Moreover, we introduce dynamic preferences, where the preferred samples used for alignment progressively improve as the sampling policies are learned. This self-improving mechanism replaces rigid static teacher supervision with an iterative, preference-guided refinement process, providing progressively stronger alignment signals. Extensive experiments demonstrate that D2PO aligns diffusion samplers with perceptual quality more faithfully, unlocking the full potential of high-quality teachers and consistently outperforming conventional regression-based schedulers under low-NFE constraints.
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Machine Learning

NEST: Tackling Dataset-Level Distribution Shifts via Regime-Oriented Mixture-of-Experts

Accurate long-term forecasting in complex systems is frequently compromised by dataset-level distribution shifts, where diverse underlying behavioral modes and evolving system states drive the dynamic multivariate time-series. While existing methods predominantly focus on local temporal shifts, they fail to explicitly model the global structural challenge where datasets are composites of distinct operational regimes. In this paper, we propose NEST, a specialized framework designed to model and recompose these evolving structures through a two-phase dense MoE architecture. NEST first facilitates structural specialization by partitioning the dataset into distinct operational regimes through unsupervised clustering in a principled moment-entropy space. We introduce a regime-oriented router mechanism that generates initial expert weights based on temporal content, subsequently refined through geometric modulation to regime centroids. Crucially, rather than acting as monolithic predictors, individual experts function as specialized kernels that capture regime-specific dynamics by evolving unique variate-attention patterns. Extensive evaluations on diverse benchmarks, including heterogeneous network traffic and physical phenomena, demonstrate that NEST consistently achieves state-of-the-art performance. Our code and datasets are available at https://github.com/Aaralshin/NEST
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All authors Lanhao Li, Bingshu Xie, Lijun Sun, Xin Xue, Haoyi Zhou, Jianxin Li

Machine Learning

A Quiet Failure in Calibrated Virtual Screening: Marginal Conformal Prediction Under-Covers the Minority Class, and a Class-Conditional Fix Recovers It

Conformal prediction is being adopted in drug discovery to put an honest number on model reliability: pick an error rate alpha, and the method returns prediction sets containing the true label with probability at least 1 - alpha. We show this guarantee can be dangerous on imbalanced datasets. Across four datasets, standard (marginal) conformal prediction hits its global 90% coverage target while leaving the minority class badly exposed: realized minority coverage falls to 64.8% on blood-brain-barrier penetration and to 4.2% on clinical-trial toxicity, where the rare class is nearly abandoned. The failure is not tied to one model: a random forest, a graph network, and a frozen chemical language model all reproduce it (p < 0.001 in every case), with severity tracking baseline calibration on rare labels rather than architecture. A conservation identity explains the effect: the minority's shortfall equals the majority's surplus amplified by the imbalance ratio, predicting the measured gap to within one point and ordering severity across datasets. The failure survives realistic scaffold splits and a second conformal score, while aggregate accuracy and overall coverage stay reassuringly high, which is exactly why it is easy to miss. Class-conditional (Mondrian) conformal prediction closes the gap on every dataset, restoring minority coverage to target for a modest increase in prediction-set size. We localize the failures to generic molecular scaffolds - plain benzene and pyridine cores occurring in both classes - propose a one-number diagnostic, and show with a cost model that abstaining on affected compounds flips a screening campaign from net-negative to net-positive utility. Our contribution is demonstrating on real chemistry how severe and invisible this known conformal-theory gap becomes under imbalance, and laying out a practical protocol restoring per-class reliability.
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Machine Learning

TriRoute: Unified Learned Routing for Joint Adaptive Attention, Experts, and KV-Cache Allocation

Conditional computation can decouple language model quality from per-token inference cost, yet leading techniques act on a single axis in isolation: Mixture-of-Experts (MoE) sparsifies the FFN, Mixture-of-Depths (MoD) skips whole transformer blocks, and KV-cache quantization compresses attention memory. We argue these three decisions (attention resolution, expert selection, and cache bit-width) are strongly coupled and should be made jointly: a token rare enough to warrant full attention may also need high-precision caching regardless of which expert processes it. We introduce TriRoute, a single lightweight controller shared across all three axes that, for every token at every layer, emits a coordinated policy: (i) an attention mode (skip/local/full), (ii) a sparse set of FFN experts (with a null expert recovering MoD), and (iii) a KV-cache bit-width. The controller trains end-to-end via a heterogeneous relaxation (Gumbel-Softmax with straight-through estimation for categorical decisions and load-balanced top-k gating for experts) under a Lagrangian budget constraint that turns the average compute and memory cost into a controllable knob. We identify a cross-axis routing-collapse cascade in naive joint training, where collapse on one axis propagates to the others, and address it with per-axis normalization and a coupling-aware balancing loss. On decoder-only models from 160M to 1.3B parameters at compute-optimal token counts, TriRoute Pareto-dominates the best independent MoD+MoE+KV-quantization combination at matched inference FLOPs and memory, while better preserving tail-case robustness on rare entities, code, and arithmetic that pure perplexity optimization erodes. Post-hoc analysis reveals interpretable structure: the controller allocates full attention and high-precision cache to sentence-initial positions, rare subwords, and named entities, while cheaply routing function words.
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Machine Learning · Cross-listed from cs.CV

ELSA3D: Elastic Semantic Anchoring for Unified 3D Understanding and Generation

Unified 3D foundation models aspire to generate 3D assets and reason about them in language within a single backbone, but their text-3D interaction remains largely implicit. Existing methods concatenate text and 3D tokens into a flat sequence and rely on self-attention, collapsing coarse structural cues and fine geometric details into one undifferentiated representation. We introduce ELSA3D, a unified 3D model that addresses this with elastic semantic anchoring, structuring language and geometric reasoning jointly along matched abstraction scales. ELSA3D represents geometry with a scale-aware octree tokenizer and introduces Anchor Tokens, sparse cross-modal units that select semantic cues, route them to the most relevant 3D scale, retrieve scale-specific geometric evidence, and write the fused signal back into the unified representation, keeping interaction sparse yet precise. A lightweight per-block router makes both computation and reasoning elastic, choosing which text tokens instantiate anchors at which geometric scale so that cross-modal capacity concentrates where alignment is most needed. ELSA3D achieves state-of-the-art performance across image-to-3D generation, text-to-3D generation, and 3D captioning, outperforming the strongest unified baseline while roughly halving FLOPs and inference latency relative to the non-elastic version of the same model.
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All authors Tianjiao Yu, Xinzhuo Li, Yifan Shen, Onkar Susladkar, Yuanzhe Liu, Xiaona Zhou, Ismini Lourentzou

Machine Learning

Graph Convolutional Attention: A Spectral Perspective on Graph Denoising and Diffusion

Denoising graphs is a fundamental problem in graph learning and the core operation of graph diffusion models. Attention-based architectures such as graph transformers have shown promise for this task, yet the mechanisms through which attention denoises graphs remain poorly understood. We show that, under a graph denoising objective, standard attention scores learn an average spectral denoising filter across the training distribution and are suboptimal when the graph spectra vary. To address this limitation, we introduce spectral attention scores, which are attention scores that depend on the input graph spectrum. We characterize the improvement over standard attention scores in terms of the spectral diversity of the graph distribution. We then propose graph convolutional attention (GCA), a practical realization of spectral attention that uses graph-filtered queries and keys. For asymptotically large stochastic block models, we show that GCA matches the optimal denoising loss of spectral attention under suitable conditions. We also show that softmax can further reduce denoising error by approximately projecting noisy eigenvectors onto the clean eigenspace. Across synthetic and real datasets, replacing standard query–key projections with GCA improves graph denoising and diffusion, with denoising gains correlated with spectral diversity. Furthermore, replacing the DiGress architecture with a GCA-based architecture within the DiGress generative framework yields comparable generation quality with significantly faster inference.
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All authors Shervin Khalafi, Igor Krawczuk, Sergio Rozada, Charilaos Kanatsoulis, Antonio G Marques, Alejandro Ribeiro

Machine Learning

GraphBU: MILP Instance Generation with Graph-Native Block Units

Mixed-integer linear programming (MILP) instances used for solver development are hard to obtain when models come from private or application-specific pipelines. A generator must keep the structure that solvers and learned policies rely on. Existing general generators usually choose their generation unit from a formulation template, summary statistics, local graph edits, or blocks found after recombination. These units do not explicitly record how a local part of the MILP is coupled to the rest of the instance. We propose GraphBU, a graph-native generator whose basic unit is a local subproblem plus its interface. The method promotes coupling nodes into master constraints or boundary variables and uses the resulting block units for compatibility-checked replacement. The analysis focuses on the properties needed by this construction: promotion separates interfaces, replacement can preserve feasibility under an interface-slack condition, and the graph construction is invariant to row-column permutations. On MILP instances generation, this unit keeps graph statistics close to the source family, preserves feasibility on most datasets, and improves downstream Predict-and-Search training. Genrated by GraphBU, The average graph-statistical similarity was approximately 0.934, the average feasibility was approximately 96.7%, and the average increase in the main index of downstream PS was approximately 8.0%.
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All authors Xiaolei Guo, Chenyu Zhou, Jianghao Lin, Dongdong Ge

Machine Learning · Cross-listed from cs.AI

The Large Cancer Assistant (LCA): A Model-Agnostic Orchestration Framework for Scalable Clinical Decision Support in Oncology

- Objective: Multimodal deep learning models in oncology are currently limited by monolithic designs that rigidly couple data ingestion, clinical routing, and artificial intelligence (AI) inference. To address this inflexibility, we propose the Large Cancer Assistant (LCA), a model-agnostic, post-hoc orchestration framework designed for scalable clinical decision support. - Methods: The LCA is mathematically formalized as a 7-tuple architecture grounded in the principle of Algorithmic Impermeability, ensuring the orchestration logic remains strictly independent of underlying black-box AI models. We introduce the Entry Theory, leveraging Geometric Deep Learning (GDL) to standardize multimodal patient data along distinct structural and medical axes. The system dynamically orchestrates data via a Cancer Switching Module and intentionally isolates the core AI execution from volatile hospital IT infrastructures by outputting a Standardized Intermediate Payload (SIP). - Results: A Proof of Concept (PoC) validated the orchestration logic across four technical scenarios. The framework executed a nominal flow with negligible orchestration overhead. It empirically demonstrated algorithmic impermeability by maintaining an invariant routing projection during AI model swaps, and it validated strict failure-safety by achieving a 100% recall rate in generating targeted Supplementary Data Requests (SDR) under injected data anomalies. Multi-protocol execution capability was also successfully verified. - Conclusion: By structurally decoupling multimodal ingestion from feature inference, the LCA provides a highly adaptable and modular orchestration foundation. The SIP establishes a clear architectural boundary, natively setting the stage for downstream Electronic Medical Record (EMR) interoperability as an independent future paradigm.
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Machine Learning

EntroPath: Maximum Entropy Path Ensemble Embedding for Manifold Learning

We introduce EntroPath, a manifold learning method that recovers geodesic geometry from data graphs through ensembles of diffusion paths. Many existing graph-based embeddings rely either on locally normalised random walks or on shortest-path distances. The former can concentrate diffusion in densely sampled regions, while the latter are sensitive to spurious shortcut edges in the graph. EntroPath instead builds its dissimilarities from the maximum entropy random walk (MERW), which aggregates the full ensemble of k-step paths between points rather than relying on any single trajectory. We show that the resulting free-energy dissimilarity converges to squared geodesic distance in the short-time limit, via Varadhan's heat-kernel formula. The diffusion depth k interpolates smoothly between local neighbourhood structure and global manifold geometry, and the symmetrised kernel admits an exact Gram factorisation connecting EntroPath to kernel methods. We further provide scalable extensions via landmark projection and diffusion-potential pseudotime. Across synthetic manifolds and single-cell benchmarks, EntroPath consistently matches or outperforms diffusion- and shortest-path-based methods, while remaining competitive with neighbourhood-preserving embeddings (UMAP, t-SNE) on local-structure metrics. Its gains are most pronounced on manifolds with non-uniform sampling density and well-separated branching trajectories, where path-ensemble diffusion more faithfully preserves the underlying geodesic geometry.
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Machine Learning · Cross-listed from cs.CL

Pitwall: Faithful Natural-Language Race-Strategy Briefings from a Calibrated Real-Time Monte Carlo Engine

Live sports commentary is grounded generation under a deadline: statements concern real, named athletes, the grounding state changes every few seconds, and no reference text exists at generation time. We present Pitwall, a production system that generates natural-language Formula 1 strategy briefings in English, Spanish, and Portuguese, treating faithfulness as an architectural property rather than an aspiration: every published sentence is decomposed into typed factual claims (positions, gaps, tyres, pace, overtakes, race control) and each claim is verified against the probabilistic race state that prompted it. The same verifier gates the fine-tuning data: of 3,045 model-written targets, only the 81.9% whose every claim is state-supported are retained, the rest falling back to a provably faithful template, so the generator never sees an ungrounded target. Verification is meaningful because of the grounding substrate: a vectorized Monte Carlo engine (N=2,000 per-lap race continuations) calibrated on 126 races (2018-2024) and validated on fully held-out 2025-2026 seasons (winner-in-top-3 90.3% over 155 backtests; held-out Brier 0.0745). A recurring finding spans both halves of the system: virtues trade off and must be gated separately. In simulation, calibration-optimal is not decision-optimal; in generation, fine-tuning on richer targets buys vividness that collapses into hallucination when the grounding state is sparse – a failure a four-base replication traces to base-model instruction adherence, not scale, and that sparse-context auditing removes from the production model. End-to-end operation – live timing to verified trilingual briefings – was confirmed at two consecutive live Grands Prix (Austria and Britain, 2026); at Silverstone a timestamped probability trace, committed to disk before the outcome was known, locked onto the eventual winner ten laps before the flag.
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Machine Learning · Cross-listed from cs.CR

Assessing the Operational Impact of Poisoning Attacks over Augmented 3D Point Cloud Public Datasets for Connected and Autonomous Vehicles

Poisoning attacks against public datasets lead to major concerns, such as (i) misclassification of perceived objects when the poisoned data is used for training and (ii) embedding of backdoors that may eventually be triggered later on, when specific conditions in the system apply over the learned models. Its impact over data augmentation models is unclear. While data augmentation reduces the likelihood of poisoning attack success, some valid questions remain. Is data augmentation affecting the impact of poisoning attacks? can it increase the number of poisoned samples or injected backdoors? We explore in this paper some of these questions. We assess the effects of augmenting poisoned 3D point cloud datasets and validate that poisoning is able to evade the sanitizing nature of augmentation techniques when using the concrete case of Generative Adversarial Network (GAN) techniques to exemplify the case of data augmentation processing. We also validate that poisoning propagates over the augmented datasets and perturbs the decision made by general-purpose classifiers, in the end. All the experimental material (including tools, datasets, and classifiers) is publicly available, to facilitate reproducibility and to foster further research in the topic.
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All authors Marwan Lazrag, Badis Hammi, Lorena Gonzalez-Manzano, Joaquin Garcia-Alfaro

Machine Learning · Cross-listed from quant-ph

Provable learning separation for predicting time-evolution of quantum many-body systems

Given that quantum computers are naturally suited to simulate the behavior of quantum many-body systems, an immediate question arises: can one formulate physically motivated quantum machine learning (QML) tasks that exhibit learning separations? We address this problem by studying the learnability of quantum many-body dynamics from the perspective of probably approximately correct (PAC)-learning. Concretely, we devise a supervised learning problem where the training set consists of specifications of randomized stabilizer probe states, evolution times sampled uniformly from a polynomially large time interval $[0,T]$, coupled with expectation values of certain observables evaluated on the resulting time-evolved state under an unknown Hamiltonian. For this learning task, we provide an efficient quantum procedure whose training phase learns the underlying Hamiltonian from short-time training samples, and whose deployment phase combines Hamiltonian simulation with the classical shadows protocol to perform inference on a newly given data point. By contrast, the existence of $O(\mathsf{poly}(n))$-time instances ensures classical hardness: by embedding a $\mathsf{BQP}$-complete computation into the polynomially long time-dynamics of a low-intersection variant of the Feynman-Kitaev clock Hamiltonian construction, we show that, for a certain family of input distributions, no randomized classical polynomial-time algorithm can fulfill our learning condition, unless $\mathsf{BQP}\subseteq\mathsf{P/poly}$. Furthermore, we show that the classically hard instance maintains quantum learnability. We also give an interpretation of our results in learning-assisted certified quantum simulation. Taken together, our results demonstrate a rigorous learning separation for a natural ML task based on Hamiltonian evolution, while building connections between quantum learning theory, quantum simulation, and QML.
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All authors Rahul Bandyopadhyay, Riccardo Molteni, Jens Eisert, Vedran Dunjko, Sofiene Jerbi

Machine Learning

TILDE: TILt-based Distributional Erasure for Concept Unlearning

Concept unlearning in text-to-image diffusion models is critical for safe and practical deployment: with rising privacy concerns, copyright disputes, trademark constraints, and safety regulations, deployed systems must be able to suppress unwanted concepts after training. Existing methods often remove the target concept effectively, but practical unlearning also requires an equally fundamental property: the unlearned model should retain quality, diversity, and semantic coverage on benign generation. The gold standard is a retain-only model trained from scratch without the unwanted data. However, common erasure objectives do not specify which post-unlearning distribution should approximate this reference, leaving retention as an implicit consequence of the update rule. We propose TILDE, TILt-based Distributional Erasure, which formulates concept unlearning as a distributional alignment problem: the desired target is the minimum-deviation conditional distribution from the pretrained model under a forgetting constraint. This energy-tilted, anchor-free target suppresses concept-expressing images while preserving benign relative mass for each prompt. We instantiate this principle with residual $\nabla$-GFlowNet training, which learns the score correction induced by the forget energy relative to the pretrained diffusion model. Across objects, artistic styles, and characters, TILDE achieves strong forgetting while improving retention and distributional fidelity over prior baselines.
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All authors Naveen George, Naoki Murata, Yuhta Takida, Konda Reddy Mopuri, Yuki Mitsufuji

Machine Learning · Cross-listed from cs.CV

What Images Cannot Say: Language-Guided Olfactory Representation Learning

Images tell us what a scene looks like, but rarely what it would feel like to be there. While recent datasets pair visual scenes with electronic-nose measurements, aligning smell signals with images remains challenging because many olfactory cues arise from contextual environmental factors that are not directly visible in pixels. We introduce SCENT, a multimodal framework that uses language guidance as a semantic bridge between vision and olfaction. Our approach leverages Vision-Language Models (VLMs) to generate scene descriptors capturing objects, environmental context, and plausible ambient smell cues suggested by the visual scene. These descriptors provide semantic guidance for learning olfactory representations. We train a smell encoder that maps electronic-nose signals into a shared embedding space aligned with both visual and textual representations, and introduce a languageguided latent decomposition that separates object-specific odors from contextual environmental contributions. Experiments on the New York Smells dataset demonstrate that SCENT significantly improves crossmodal retrieval compared to vision-only baselines, achieving state-of-theart performance on smell-to-image and smell-to-text retrieval tasks. In addition, our framework produces interpretable olfactory representations that enable the disentanglement of complex smell mixtures. Our results reveal the importance of contextual semantic information for grounding olfactory perception in multimodal learning and pave the way for future research in this area.
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Machine Learning · Cross-listed from cs.RO

Learning to Throw Objects Safely in Multi-Obstacle Environments

Robotic throwing enables fast and efficient object placement beyond the robot's immediate workspace, but reliable throwing in cluttered environments remains underexplored. Existing approaches, such as TossingBot, learn throwing strategies from visual input but assume obstacle-free settings. In this paper, we address the problem of throwing objects into a target basket while avoiding obstacles placed randomly in the scene. We introduce a potential field state representation that compactly encodes both basket attraction and obstacle repulsion on a fixed-size grid, enabling reinforcement learning (RL) policies to generalize across arbitrary numbers and configurations of obstacles. The policy is initialized from kinesthetic demonstrations and optimized in simulation using three state-of-the-art RL algorithms (SAC, DDPG, TD3). Among these, SAC achieves the most consistent performance across scenarios. We compare the potential field representation against explicit state encodings and demonstrate that it achieves higher success rates and better scalability to unseen obstacle configurations. Real-robot experiments with unseen throwable objects confirm robust sim-to-real transfer, achieving up to $90\%$ success in cluttered scenes. These results demonstrate that PFR provides a practical and robust representation for safe and efficient robotic throwing in unstructured environments. A video showcasing our experiments is available at: https://youtu.be/ZZnJf8ua2dE
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Machine Learning · Cross-listed from stat.ML

A Function-Space Dichotomy for Compositional Learning: Exponential Sub-Optimality of the Neural Tangent Kernel

A persistent empirical observation is that trained neural networks outperform their neural tangent kernel (NTK) limit on tasks with compositional structure, yet a quantitative account of $\textbf{when}$ and $\textbf{by how much}$ has been lacking. Working on the unit circle, we give such an account through a dichotomy between two complexity measures of the target: its $\textbf{Fourier complexity}$, which controls NTK kernel regression, and its $\textbf{architectural complexity}$, which controls learning over depth-$L$, width-$w$ ReLU networks with the variation norm of the weights bounded by $R$. We first characterize the minimax rate of the architecture class $\mathcal{C}_{L,w,R}$, pinning it down up to a single factor of $L$: between $\Omega(Lw^2R^2/n)$ and $\tilde{O}(L^2w^2R^2/n)$. We then show the NTK estimator sits $\textbf{exponentially}$ above this floor whenever the two complexities decouple: for the depth-$L$ iterated sawtooth, NTK regression needs $\Omega(4^L)$ samples while the minimax floor is polynomial in $L$. Numerical experiments confirm the theoretical claims: on bandlimited smooth targets, the NTK is competitive or better, while on the hypercube sparse-parity model, a standard two-layer network beats the NTK by four to six orders of magnitude in test error. The gap is thus a function-space property, a mismatch between the kernel's smoothness bias and the target's compositional structure, rather than a generic kernel-versus-network phenomenon.
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Machine Learning · Cross-listed from cs.RO

ActionCache: Training-Free Acceleration for Vision-Language-Action Models with Action Caching and Refinement

Vision-Language-Action (VLA) models have emerged as a promising approach for generalizable robotic manipulations. In particular, flow-matching-based VLA models have shown remarkable success due to their capability to generate precise and smooth action sequences and capture multimodal distributions. However, the iterative denoising process in the action head acts as a major computational bottleneck, posing a critical challenge for real-time deployment. To address this challenge, we propose ActionCache, a plug-and-play external cache that opportunistically reuses past intermediate actions to warm-start generations from the vicinity of target actions, drastically reducing the inference latency. Specifically, ActionCache stores the intermediate actions with compact multimodal keys, which enables retrieval from similar past contexts across different episodes or even different tasks. Experimental results in simulation and real-world environments demonstrate that ActionCache maintains high task success rates in a low-latency regime, achieving action head inference acceleration of up to $10.44\times$ and $40.17\times$ for representative flow-based VLA, $\pi_{0.5}$ and GR00T-N1.6, respectively.
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All authors Ryuji Oi, Hikari Otsuka, Kosuke Matsushima, Yuki Ichikawa, Masato Motomura, Tatsuya Kaneko, Daichi Fujiki

Machine Learning

Physics-Informed Neural Embeddings of PDE Solution Families

We introduce a physics-informed framework for learning finite-dimensional embeddings of solution families of partial differential equations. The method uses a multihead Physics-Informed Neural Network in which a shared body learns a latent manifold representing the solution space, while linear heads reconstruct individual solutions associated with different initial conditions. A head-orthogonalization penalty removes degeneracies in the latent representation and stabilizes the principal-component spectrum across training realizations. Because the initial condition is built into the network output by construction, these principal components measure the additional variability the network learns on top of the initial profile, not the full solution itself. We apply the method to the one-dimensional viscous Burgers equation, with the heat and wave equations as robustness checks. For a latent dimension $n_b=20$, the learned manifolds exhibit pronounced effective dimensional reduction: for Burgers dynamics, only $2$-$4$ principal components capture about $95\%$ of the latent-space variance, while $4$-$7$ capture about $99\%$, depending on the initial-condition family; the same qualitative compression holds for the heat and wave equations. We also split the wavenumber axis into bands (“Fourier shells”) and measure how much each band contributes to every principal component. The resulting frequency profile is invariant under the change-of-basis freedom that the orthogonalization penalty leaves in the latent space, and is therefore reproducible across independent training runs. More broadly, this establishes the learned spectral profiles and principal components as robust observables of solution-manifold geometry.
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All authors Raul Jimenez, Svitlana Mayboroda, Pavlos Protopapas, Leonid Sarieddine, David N. Spergel, Pedro Tarancón-Álvarez

Machine Learning · Cross-listed from cs.CR

Dithered Gaussian Mechanism for Randomness-Efficient Differential Privacy

We present the dithered Gaussian mechanism, an alternative to the discrete Gaussian mechanism for differential privacy that discretizes the private output rather than the noise distribution itself. By interpreting this discretization as post-processing of the Gaussian mechanism, our construction directly inherits the privacy guarantees of the standard Gaussian mechanism while avoiding vulnerabilities caused by finite-precision floating-point outputs. In addition, the mechanism is provably randomness-efficient: by sampling the discretized output values directly, the number of high-quality random bits required for privacy can be reduced significantly and made independent of the noise level. This is achieved by separating the randomness into two sources: a high-quality source used for the privacy-critical sampling step, and a high-performance public source, possibly known to the adversary, that supplies the additional randomness needed for randomized discretization. This separation enables the use of cryptographically secure randomness without substantial performance loss. As an application, we study model training with DP-SGD and show that cryptographically secure noise generation with reduced exposure to floating-point vulnerabilities can be achieved with modest practical overhead.
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Machine Learning

Quantitative Gaussian-Process limits of Tensor Programs

We study the infinite-width Gaussian-process limit of random neural networks through the lens of tensor programs, and we provide a quantitative convergence theory in Wasserstein distance. Our main result gives explicit finite-width error bounds, of order inverse square-root of the widths between finite-network executions and their Gaussian-process limits. The framework is architecture-agnostic and covers feed-forward models together with weight-sharing schemes relevant for recurrent and transformer-type architectures.
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Machine Learning · Cross-listed from math.NA

Kernel-based Operator Learning: Error Analysis, Budget Allocation, and a Physics-Informed Extension

We study kernel-based operator learning in a two-stage sampling framework, where an offline kernel regression operator learns a discretized representation of the target operator from input-output pairs and an online kernel reconstruction operator recovers the output function from predicted observations. Our main theoretical contribution is an explicit budget allocation condition relating the number $N$ of training pairs, the number $n$ of input observations, and the output resolution $m$. The condition is derived from a coupled error analysis that interprets the surrogate as a reconstruction from approximate data. This yields a decomposition of the total error into reconstruction and learning contributions that can be analyzed independently. As a consequence, we obtain quantitative scaling laws describing how $N$, $n$, and $m$ must be coupled to guarantee convergence and to balance offline learning and online reconstruction errors. The resulting estimates extend previous analyses of kernel-based operator learning. We further introduce a physics-informed extension that incorporates knowledge of the underlying PDE at evaluation time. Rather than encoding constraints directly into the kernel, we augment the online reconstruction step by penalizing PDE residuals at collocation points. The method requires no retraining for new inputs. Numerical experiments illustrate the theoretical findings and demonstrate the effectiveness of the proposed physics-informed reconstruction strategy.
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Machine Learning · Cross-listed from stat.ML

A Convex Approximation Framework for Neural Likelihood-Based Bayesian Inverse Problems

Many problems in science and engineering are difficult to model accurately, either due to unknown physical mechanisms, poorly quantified measurement uncertainty, or prohibitive computational costs of high-fidelity simulations. These challenges limit the applicability of classical probabilistic inference methods such as Markov chain Monte Carlo, especially in high-dimensional Bayesian inverse problems. As data from scientific experiments become increasingly available, machine learning methods offer a flexible alternative to explicit parametric modelling. We study neural likelihood approximation, where the goal is to learn the likelihood function directly from data without explicit knowledge of the underlying data-generating process. A common approach trains likelihood surrogates by minimizing the Kullback-Leibler divergence between the true posterior and an approximate posterior, which is equivalent to minimizing the expected negative log-likelihood. This work improves the theoretical foundations of neural likelihood approximation by alleviating limitations of restrictive model classes: we show that, by working with un-normalized potentials and folding normalization into the training objective, the resulting learning problem is strictly convex. We show that empirical minimizers of the resulting data-driven objective converge to the true likelihood as the sample size grows. Numerical experiments for the neural likelihood approximation are conducted for a deblurring and a non-linear PDE based imaging problem.
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Machine Learning · Cross-listed from quant-ph

Entanglement as a Structural Complexity Axis: A PAC-Bayesian View of Generalization in Quantum Policies and Value Functions

Parameterized quantum circuits (PQCs) are increasingly used as policies and value functions in quantum reinforcement learning, yet it remains unclear when and why quantum policies generalize. We give a PAC-Bayesian account in which generalization is governed not by the raw number of circuit parameters, but by the effective dimension of the Fisher geometry induced by the circuit. This quantity is inflated by entanglement, making entangling connectivity an independent axis of complexity.In controlled experiments that fix the number of trainable rotations and vary only entanglement, we find that circuits with larger Fisher effective dimension exhibit larger train-test gaps, while parameter count is a weak predictor. The resulting bound acts primarily as a ranking certificate: it correctly orders circuits with identical parameter count, which parameter-counting bounds cannot do. We validate this mechanism across supervised classification, quantum contextual bandits, and value-function generalization, where entangled circuits consistently generalize worse than non-entangled circuits of equal parameter count, with gaps shrinking as sample size increases.Our strongest evidence comes from low-variance decision models, including single-observable classifiers, value heads, and one-step policies. In end-to-end multi-step policy learning, entanglement effects remain statistically significant but high return variance leaves the full ordering only partially resolved. Partial-correlation analysis shows that Fisher effective dimension screens off entangling pattern, and controls for training accuracy, readout, and optimizer rule out major optimization confounders. The effect also persists on an IBM Heron quantum processor under real noise. Overall, our results reframe quantum policy design around an entanglement–generalization trade-off rather than expressivity alone.
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All authors Jian Xu, Delu Zeng, John Paisley, Qibin Zhao

Machine Learning

Canopy: A Heterograph Foundation Model for Metabolic Engineering

Designing microbial strains that produce high-value chemicals at commercially viable titers remains a central challenge in metabolic engineering. Existing computational approaches either rely on stoichiometric constraint-based models that cannot learn from experimental data, or apply tabular machine learning to hand-crafted features that discard the relational structure of biological knowledge. We present Canopy, a heterogeneous graph foundation model that integrates ten public and proprietary data sources into a unified knowledge graph (KG) of 6.9M nodes across 13 types and 34 edge types, covering genes, proteins, metabolites, reactions, pathways, strains, and fermentation experiments. Node features are encoded through domain-specific foundation models (ESM-2 for protein sequences, MoLFormer for chemical SMILES, and PubMedBERT for biomedical text), yielding a multi-modal representation within a single graph. We pretrain a Heterogeneous Graph Transformer (HGT) augmented with SignNet positional encodings, Jumping Knowledge aggregation, and virtual nodes using four self-supervised objectives (link prediction, masked node modelling, distance prediction, and contrastive experiment clustering), balanced via learned homoscedastic uncertainty weighting. On the downstream task of fermentation titer prediction, frozen Canopy embeddings achieve $R^{2} = 0.41$ with a lightweight probe, outperforming tabular baselines (best $R^{2} = 0.24$) and homogeneous GNN variants.
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Machine Learning · Cross-listed from eess.AS

TriA Pipeline: A Large-Scale Automatic Audio Annotation Pipeline For Audio Classification In Specific Scenarios

There are some datasets of varying scales for audio classification (AC) applied to different tasks. However, annotated data is limited for most scenarios, such as domestic environments. To address this challenge, we propose an $\textbf{A}$utomatic $\textbf{A}$udio $\textbf{A}$nnotation Pipeline–TriA Pipeline, which can efficiently convert audio from various scenarios into high-quality training data with audio event annotations. A TriA dataset was constructed with the TriA Pipeline, over 2130 hours of audio covering 431 audio classes. Furthermore, we partitioned a prior-knowledge-guided subset (TriA$_{\mathrm{GK}}$) from TriA and conduct comparative experiments on three domestic AC tasks. Comparing the result on manually annotated data only and that on manually annotated data combines TriA$_{\mathrm{GK}}$, TriA$_{\mathrm{GK}}$ could achieve average relative gains of 3.97% in accuracy and 3.35% in Macro-F1, validating the effectiveness of TriA$_{\mathrm{GK}}$ and the TriA Pipeline.
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All authors Hong Lyu, Mingru Yang, Qianhua He, Yanxiong Li, Jinxin Huang, Zhengyu Pei