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Computer Science Machine Learning

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Tuesday 21 July

Machine Learning · Cross-listed from cs.DS

Stronger Memory-Query Tradeoffs for Convex Optimization: The Limitations of Subquadratic Memory

We prove two lower bounds for the first order oracle complexity of minimizing a $d$-dimensional $1$-Lipschitz convex function over the unit ball with $m$ bits of memory. We first show that any such (possibly randomized) algorithm must make $\tilde{\Omega}(\frac{d^2}{\sqrt{m}})$ oracle queries. For deterministic optimization algorithms, we show that $\tilde{\Omega}(\min\{d^{1.6},\frac{d^{8/3}}{m^{2/3}}\})$ queries are required. For all memory regimes of interest, these improves upon the previous best known lower bounds of $\tilde{\Omega}(\max\{\frac{d^{8/3}}{m^{4/3}},\frac{d^{4/3}}{m^{1/6}}\})$ and $\tilde{\Omega}(\frac{d^{5/3}}{m^{1/3}})$ for randomized and deterministic algorithms respectively. Notably, due to existing upper bounds, our lower bound for deterministic algorithms is the first to show a sharp oracle complexity phase transition around $m\approx d^2$, where a polylogarithmic change in memory leads to a $\mathsf{poly}(d)$ change in the number of required oracle calls. Further, when the suboptimality is polynomially small in $d$, our lower bound randomized algorithms is the first to show that $\tilde{\Omega}(d^2)$ memory is necessary to nearly match the optimal query complexity among algorithms without memory constraints. Previously, such a result was only known for the regime where the suboptimality is quasipolynomially small in $d$.
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Machine Learning

CausalGate: Causal Importance Distillation for Transformer Module Pruning

Existing adaptive inference methods for Large Language Models rely on observational heuristics, such as hidden-state similarity or activation magnitudes, to drop redundant modules. However, these correlation-based metrics often fail to capture subtle, non-linear structural computations vital for semantic accuracy. We introduce CausalGate, an intervention-guided framework for compute-efficient transformer inference. During a calibration phase, CausalGate isolates individual Attention and MLP sub-layers, zeros out their respective outputs, and measures the exact semantic damage via the Kullback-Leibler divergence of the final logit distribution. To eliminate runtime routing overhead, this structural importance hierarchy is distilled into a global set of static, lightweight scalar gates using an Exponential Moving Average smoothing objective paired with a differentiable pairwise ranking loss. Evaluated on TinyLlama-1.1B, Qwen2.5-3B, and Llama-3.1-8B across language modeling and commonsense reasoning benchmarks, CausalGate consistently outperforms prominent dynamic routing and layer-skipping baselines, translating theoretical compute savings into concrete hardware latency reductions with zero operational overhead.
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Machine Learning · Cross-listed from cs.CV

Visual Token Compression Enhances Robustness of MLLMs

In this paper, we show for the first time that visual token pruning enhances the robustness of Multimodal Large Language Models (MLLMs), mitigating vulnerabilities such as jailbreak attacks and hallucinations. Given that vision and language modalities cannot be perfectly aligned, the misaligned visual tokens might act as out-of-distribution (OOD) inputs, leading to unpredictable outputs and introducing potential vulnerabilities. Building on this insight, we aim to enhance model robustness against jailbreaks and hallucinations by reducing OOD visual tokens at robust-pruning layers, while also reducing inference cost as a side benefit. Specifically, we measure the distance between each visual token and the language feature space. Then, visual tokens with large distances are identified as OOD tokens, which can be iteratively pruned. To demonstrate the effectiveness of our method, we evaluate it on seven diverse popular benchmarks. Notably, our method yields an average improvement of 13.29% in defending jailbreak attacks, consistently achieves competitive performance in mitigating hallucinations, and maintains strong results on general datasets like MME.
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All authors Shishen Gu, Jiequan Cui, Wenbo Hu, Zenglin Shi, Zhenzhen Hu, Richang Hong

Machine Learning

Adjustment Speed as a Safety Constraint for Nonstationary Reinforcement Learning

Ensuring safety in reinforcement learning under nonstationarity requires determining whether a learning system can safely adapt to forecasted environmental change within the required recovery horizon. Existing safe reinforcement learning methods typically assume stationary environments and do not explicitly consider adaptation speed as a safety concern. However, when environments evolve over time, delayed adaptation may result in transient unsafe behavior. This paper proposes adjustment speed as a safety constraint for nonstationary reinforcement learning. The central idea is to define safety in terms of adaptation feasibility: future states or regions may become unsafe when the adaptation required to remain safe exceeds the learning system's calibrated recovery capacity. The proposed framework uses learned context representations and short-horizon context forecasts to estimate adaptation demand and compare it with the agent's achievable adaptation capacity. When predicted adaptation demand exceeds the calibrated recovery capacity, the framework proactively tightens the admissible action set and activates an action-level shield to reduce unsafe behavior before violations occur. Experiments in a nonstationary driving environment show that the proposed approach primarily reduces safety violations in short-horizon windows aligned with context changes. Ablation studies further show that shielding is more conservative for peak- and tail-risk suppression, while optimization-level adjustment provides additional reductions in short-horizon switch-conditioned violations. These results support adaptation feasibility as a practical safety principle for reinforcement learning under nonstationarity and demonstrate that proactive intervention can improve safety during periods of environmental change.
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Machine Learning

Multi-Horizon Consistency as Geometry: When Latent Dynamics Contract, and When They Do Not

Multi-horizon latent consistency is a common training knob in video predictors and world models, but practitioners rarely know what it does to transition geometry. We treat lambda, the weight on multi-step latent agreement, as a diagnostic control and measure an empirical expansion proxy L20,q95 together with horizon-20 prediction error E20. On Moving-MNIST (n=6 seeds at the critical pair), raising lambda from 0 to 0.8 cuts L20 from 4.96 +/- 2.01 to 1.01 +/- 0.06 (paired t p=0.005, Wilcoxon p=0.031) and halves E20 (0.365 to 0.177, paired t p=1.1e-13). Four of six seeds cross L<1 at lambda=0.8. The same loss does not produce population L<1 on action-conditioned Pendulum-v1 or CartPole-v1, nor on KTH Actions video, even when E20 improves. An associational mediation analysis on MMNIST gives r-hat=0.94 (95% CI [0.88, 1.00], n=27, B=2000); lambda was not randomized. Defensive checks (architectural baselines, exogenous stress, WorldTest, MPC, scaling) mostly support a narrow claim: soft consistency can push passive video toward a near-contractive band, and that band is domain-limited. A stochastic-forcing law L20 ~ 1.23 + 1.82 eta at lambda=0.8 (bootstrap slope CI [1.73, 1.92], R^2=0.96) unifies control domains on the same curve via calibrated eta_eff. Complete joint slices at lambda in {0.4, 1.2} (30/30 cells, 5 eta x 3 seeds) show comparable linear L20(eta) slopes (~1.69 and ~2.00); we do not fit a continuous (lambda, eta) surface. We do not report DreamerV3 or TD-MPC2 returns.
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Machine Learning

Toward Goal-Agnostic Joint-Embedding Predictive Control of Partial Differential Equations

We present a goal-agnostic control framework for partial differential equations (PDEs) built around an end-to-end joint-embedding predictive architecture (JEPA). A lightweight 2D vision-transformer (ViT) and action-conditioned latent dynamics are trained offline without a reward or downstream goal, before being frozen and reused by a model-predictive path integral (MPPI) controller. We minimize a control objective in the latent space, initially expressed via the $L^2$ distance and additionally illustrate the benefit of recasting the control objective in terms of an explicit physical observable when available. By instead minimizing the tracking error for a learned linear kinetic-energy (KE) probe on the frozen latent-state rollouts, we demonstrate the ability to reproduce the control of held-out trajectories with $R^2=0.989$, while requiring no change to the underlying world model. For a controlled 2D Navier–Stokes benchmark, using a KE-probe within MPPI planning improves the mean native reward from $-12.08\pm0.86$ for latent-$L^2$ tracking to $-10.90\pm0.91$ (95% CI), all while lowering last-quarter velocity-field RMSE from $0.0765$ to $0.0692$. Across three intentionally withheld, dissimilar, aperiodic targets, KE planning lowers late field RMSE by $53\%$ relative to latent-$L^2$ planning ($0.0220$ versus $0.0469$), winning across 30 paired comparisons. The same frozen model also supports stabilization around a steady-state configuration via direct regulation of KE, achieving $2.7\%$ mean relative error. While the latent probe proves brittle to measurement noise and missing pixels, our findings support the claim that latent dynamics can remain flexible and goal-agnostic, particularly when calibrated observables (granted they guarantee unique continuation) are a suitable objective for state control.
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Machine Learning

Quasi-Monte Carlo Initialization for Meta-Reinforcement Learning

This paper explores the efficacy of quasi-Monte Carlo (QMC) weight initialization for meta-reinforcement learning within modern benchmark environments. Various sampling methods are used to bound a population-based search and aggregate an optimal prior from a baseline set of tasks. The QMC meta-priors show improvements in training convergence compared to modern orthogonal (SB3) defaults when extrapolated to similar unseen continuous control environments. In dissimilar tasks, the orthogonal orientation was globally superior for an unbiased search.
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Machine Learning

HypEMBER: Hypernetwork-based Ensemble for Robust Policy Learning of Parametrized Dynamical Systems

In this work we investigate reinforcement learning (RL) as a framework for the robust control of parametrized dynamical systems in presence of measurements and model uncertainties. High-dimensional state spaces, expensive numerical solvers, the partial knowledge of the governing equations, and the dependence on physical parameters that may be uncertain or difficult to estimate accurately, make the use of standard RL approaches computationally unfeasible. Indeed, lack of robustness and poor generalization across parameter variations are further amplified in presence of noisy or incomplete measurements, ultimately hampering control performance. To address these challenges, we introduce HypEMBER, a novel RL framework based on the combination of hypernetworks and ensemble learning. In the proposed approach, both the policy and value functions are represented through hypernetworks that generate the weights of the underlying models conditioned on the physical parameters of the system, thereby enabling parametric generalization across different dynamical regimes. In addition, an ensemble of policy and value approximators is employed to quantify epistemic uncertainty, leading to improved exploration strategies and enhanced robustness during and after training. The performance of the proposed framework is assessed on two representative parametrized control problems: (i) the one-dimensional Kuramoto-Sivashinsky equation and (ii) a particle-navigation task in a two-dimensional time-dependent gyre flow, focusing on robustness with respect to measurement noise and parameter misspecification. Numerical results demonstrate that HypEMBER consistently improves training stability and sample efficiency, while achieving superior robustness to uncertainties affecting both the system dynamics and the available observations, in comparison with state-of-the-art RL methods.
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All authors Nicolò Botteghi, Gabriele Pascali, Urban Fasel, Andrea Manzoni

Machine Learning · Cross-listed from cs.AR

From Bit-Position Sensitivity to Unequal Error Protection for DNN Inference Memory

We characterize per-bit-position fault sensitivity in ML inference across 16 workloads – spanning transformer-based models and attention-free CNNs – and across three floating-point formats. Our central empirical finding is a sharp bit-sensitivity transition: flipping any of the least-significant fraction bits up to a data-type-specific threshold, Xsafe, degrades task metrics by less than 1% under deterministic single-bit stress tests. Sensitivity rises through the upper fraction bits and spikes at the exponent-mantissa boundary, where a single-bit flip causes catastrophic collapse. Because low-order bits are largely inconsequential while high-order and exponent bits are critical, uniform SECDED protection – which guards every bit equally at 12.5% storage overhead – is unnecessarily conservative. We derive per-data-type Xsafe floors (FP16: 6, BF16: 4, FP32: 15) and workload-aware tiers that widen the unprotected region for resilient model classes, raising ECC savings to 37.5-62.5% without retraining. Text-conditioned diffusion models dictate the conservative floor; vision encoders, NLU models, and resilient LLMs tolerate wider bypass regions. These floors and tiers drive an Unequal Error Protection (UEP) codec with per-cacheline data-type tags and a dual-partition SRAM architecture for ML accelerators. Validation across 870+ fault-injection runs confirms selective protection holds under contiguous 2- and 3-bit upsets. The codec reduces ECC area by 27.8% relative to uniform SECDED; dual-voltage operation of the non-critical partition lowers gross BF16 read energy by about 17%, with a roughly 4% dual-partition macro-area overhead.
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All authors Muhammad Husnain Mubarik, Karthik Mohan Kumar, Pedro Antonio Pena, Keshavan Varadarajan, Kunal Tyagi

Machine Learning

SCPP: A Unified Python Library for Soft Clustering

In this paper, we present SCPP (Soft Clustering Python Package), an open-source Python framework for soft clustering. SCPP establishes a canonical, scikit-learn-compatible estimator interface that standardizes model training, prediction, membership representation, evaluation, and benchmarking across heterogeneous soft clustering methods, including fuzzy, probabilistic, graph-based, matrix factorization, and deep learning methods. The framework currently integrates 40 representative algorithms together with a comprehensive benchmarking comprising datasets, clustering quality metrics, and standardized runtime, memory, and scalability evaluation. SCPP further provides extensive documentation, practical examples, automated testing, and seamless integration with the scientific Python ecosystem, enabling reproducible experimentation and straightforward extension with new algorithms. The source code is publicly available at https://github.com/soft-clustering/soft-clustering.
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All authors Kiyan Rezaee, Morteza Ziabakhsh, Artin Bahrampour, Seyed Mohammad Ghoreishi, Asal Khaje, Ali Sajedifar, Manny Chalak, Ava Zerafatangiz, Sadegh Eskandari

Machine Learning · Cross-listed from q-bio.GN

Causal dictionary learning reveals and validates transcription-factor binding features in genomic language models

Genomic language models achieve strong performance across regulatory-genomics tasks, yet what these models internally represent remains opaque, and the field lacks a principled procedure for verifying that an apparent “concept” inside a model is real rather than an artifact of sequence composition. We introduce a framework that combines sparse dictionary learning with causal intervention to extract, validate, and causally test interpretable features in genomic foundation models. Training top-$k$ sparse autoencoders on the hidden activations of two architecturally distinct models, Nucleotide Transformer ($6$-mer tokenization) and DNABERT-2 (byte-pair encoding), we recover thousands of monosemantic features that map to transcription-factor (TF) sequence motifs. We show that the naive validation of such features against position weight matrices is severely confounded by GC composition and repetitive elements, producing hundreds of spurious “TF features”, and we develop a composition-matched, binding-resolved protocol that removes these confounds. Critically, we move beyond correlation: by ablating individual dictionary directions during the model's forward pass and measuring the induced shift in the model's own predictive distribution, we establish that specific features are causally used to represent cell-type-specific TF binding, not merely motif presence. Across three transcription factors (CTCF, GATA1, REST) and both architectures, causally validated binding features emerge reproducibly ($7$–$14$ of $15$ tested features per condition), while two classes of negative control, scrambled binding labels and randomly selected features, yield no detectable signal. The framework is purely computational, uses only public data, and provides a reusable standard for interpretability claims in genomic deep learning.
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Machine Learning

The Mechanism Matters: When Knowledge Graphs Help Reinforcement Learning

Knowledge graphs (KGs) are widely used to inject prior knowledge into reinforcement learning (RL), yet the literature is dominated by single-domain, positive-result method papers, so we lack a systematic account of when KG structure helps an agent, when it is neutral, and when it hurts. We conduct a controlled study that independently varies the RL task, the injection mechanism (state features, action masking, or potential-based reward shaping), and KG quality. Using a synthetic, fully controllable KG over MiniGrid environments, we report three findings. First, on compositional sparse-reward tasks structured KG guidance improves sample efficiency and solve reliability (70% to 97% of seeds), and a shuffle control that permutes the KG's edges while preserving their count collapses the benefit toward baseline (masking p=0.0001; shaping p=0.006), so the gain is structural rather than generic regularization. Second, KG value scales with the amount of task-relevant knowledge the graph contains. Third, and most consequential, safety depends on the mechanism: soft, optimality-preserving injection benefits from correct knowledge and harmlessly ignores incorrect knowledge, whereas hard masking is brittle, forbidding essential actions when the KG is incomplete or corrupted and making a wrong KG worse than none. A UMLS-derived clinical case study on sepsis management under offline RL is a careful null, underscoring that benefits require task structure the chosen mechanism can exploit. Our results give practitioners concrete guidance on how, and how much, to trust a KG when using it to guide RL.
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Machine Learning · Cross-listed from cs.IT

CRB-Driven Beamforming and Trajectory Optimization for UAV-assisted ISAC System

In this paper, we study an unmanned aerial vehicle (UAV)-assisted integrated sensing and communication (ISAC) system, where a UAV enhances the sensing capability of a base station (BS) towards a target while ensuring reliable communication towards a downlink user. This architecture is practically attractive for future wireless networks due to the UAV's controllable mobility and adaptive sensing coverage in wireless environments. The sensing performance is characterized by the average Cramér-Rao bound (CRB), which quantifies the minimum variance of the unbiased angle-of-arrival estimation. To enhance the sensing performance, the UAV trajectory and beamforming parameters are jointly optimized under power and mobility constraints, while satisfying communication requirements to the downlink user. To address the resulting non-convex problem, we employ null-space projection for beamforming design and adopt deep reinforcement learning for the trajectory optimization over a discrete-time scale. In each time slot, beamforming is optimized based on the channel state information to improve CRB performance while mitigating interference between the BS and the communication user. Simulation results demonstrate that the proposed method significantly reduces the time-averaged CRB by over 10%, compared with the ISAC system without UAV assistance, and also achieves a higher sensing accuracy than both the fixed-UAV-trajectory and the maximum-ratio-transmission-based beamforming benchmarks.
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Machine Learning · Cross-listed from cs.CL

Scaling Laws for Hypernetwork-Based Knowledge Injection in Large Language Models

Injecting factual knowledge into large language models (LLMs) reliably and at scale remains an open challenge. Hypernetworks provide a promising solution to large-scale knowledge injection. Although hypernetworks are typically applied for test-time adaptation, we explore their use in train-time knowledge injection, where, given a large corpus of facts, we train a hypernetwork to generate a fixed LoRA adapter that, when inserted into the target model, enable the model to answer questions about those facts. In this work, we investigate whether hypernetworks can be used to perform train-time knowledge injection and how this ability varies with scale. The scaling behavior of hypernetworks remains largely unstudied. Our design decouples the hypernetwork's injection capacity from the target model's general capability, enabling, for the first time, a rigorous study of scaling laws for hypernetwork architectures. We characterize how loss, reasoning accuracy, and out-of-distribution (OOD) generalization vary with hypernetwork depth, width, and target network size. We construct a large-scale dataset, called MegaWikiQA, containing tens of millions of multi-hop question-answer examples across 39 domains constructed from examples in Wikidata5M. Our results reveal: (i) hypernetwork-based injection exhibits broadly predictive power law scaling along all architecture axes; and (ii) hypernetworks are capable of reliable OOD generalization at increasing scales, suggesting that hypernetwork provides a promising alternative to other train-time adaptation methods such as LoRA finetuning and full fine-tuning, exhibiting steeper scaling exponents in all OOD evaluations. Together, these results establish hypernetworks as a principled and scalable substrate for train-time adaptation, and provide the first empirically grounded scaling laws to guide hypernetworks for factual reasoning in large language models.
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Machine Learning · Cross-listed from stat.ME

Deep Shape Regression for Planar Curves with Multimodal Covariates

The shape of a planar curve is the geometric information that remains once translation, rotation, scale and reparametrisation are removed and is of interest in many health applications, e.g. in neuroimaging. We propose a deep shape regression model for open planar curves that admits multimodal and high-dimensional covariates. Representing curves as complex-valued functions, we show that the conditional full Procrustes mean is the leading eigenfunction of the conditional covariance. To estimate this covariance surface, we propose a novel deep conditional covariance smoother with modality-specific encoders - e.g. splines for scalar covariates and convolutional networks for images, which classical spline smoothers cannot accommodate. Our model is by construction invariant to the translation, rotation and scaling of the input curves and handles sparsely and irregularly sampled curves. We further provide an algorithm for elastic mean estimation that also removes parametrisation by iterating covariance smoothing, rotational alignment and parametrisation alignment. We illustrate the method on simulated outlines with known conditional mean and multimodal covariates, and give a first application to hippocampal outlines from the ADNI cohort, recovering covariate effects consistent with the literature. Code is available at https://github.com/mpff/dnn-shapes.
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All authors Manuel Pfeuffer, Roshan Prakash Rane, Hadya Yassin, Kerstin Ritter, Sonja Greven

Machine Learning · Cross-listed from astro-ph.SR

A Deep Learning Framework for Predicting Solar EUV Irradiance During Significant Flares

We present FlareEUV, a multimodal deep learning framework for predicting daily extreme ultraviolet (EUV) irradiance at 6.5 nm over three consecutive days during significant solar flares, using multi-instrument observations from NASA's Solar Dynamics Observatory (SDO). We consider 33 significant flares in the period between 2011 and 2014 in Solar Cycle 24. The SDO observations include 13 co-aligned full-disk images, comprising eight AIA EUV/UV and five HMI magnetic/continuum products. FlareEUV learns the relationship between magnetic structure and coronal emission from the raw imaging data using a lightweight attention-based architecture. Our experimental results demonstrate the good performance of FlareEUV in short-term EUV irradiance forecasting during the significant flares and its superiority over baseline methods.
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All authors Sathvik Soman, Jason T. L. Wang, Haimin Wang, Haodi Jiang

Machine Learning · Cross-listed from cs.AI

Knowledge-Centric Self-Improvement

Self-improving AI systems typically treat the agent as the object that improves, by optimizing prompts, workflows, harnesses, or even the agent's own code. This agent-centric view can make improvements expensive to maintain and difficult to transfer, because gains become tied to a particular agent design, task distribution, or adaptation run. We study a complementary paradigm: knowledge-centric self-improvement, in which agents remain generic and disposable while the persistent object is a curated knowledge base that agents can leverage for future tasks. We conduct controlled case studies to operationalize this idea via a simple protocol. Agents attempt one task, then contribute evidence-grounded insights to a shared knowledge base via task-level and cross-task forums, followed by knowledge distillation. Because self-improvement is contained in the knowledge rather than the agent, improvement can be more inspectable, transferable, and portable. Across abstract reasoning, coding, and terminal benchmarks, this protocol improves solve rates while reducing dollar cost relative to agent-centric baselines. The resulting distilled knowledge also transfers to held-out tasks and across LLM families, indicating that the improvement is not merely an LLM- or run-specific behavior. These results support a new view of self-improving agentic systems: progress can be driven primarily by the curated persistent knowledge. Code is available at https://github.com/recursive-knowledge/KSI.
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All authors Xuefei Julie Wang, Lauren Hyoseo Yoon, Chengrui Qu, Amanda Zichang Wang, Atharva Sehgal, Eric Mazumdar, Yisong Yue

Machine Learning

End-to-End Differential Privacy in Training Deep Neural Network Classifiers

Differentially private machine learning enables model training on sensitive data while ensuring that individual data is unlikely to be recoverable from the parameters of the resulting model. However, existing work often privatizes both training inputs and their labels, and these protections may be conservative when labels are public or can be safely made public. Therefore, in this work we propose a novel private training framework that instead privatizes training inputs while keeping labels public. We consider neural networks with softmax output layers, and thus the mapping from training inputs to the output of the softmax layer is a mapping onto the unit simplex. We randomize softmax outputs during training by applying the Dirichlet mechanism to enforce differential privacy for the training inputs, hence the “end-to-end” label. Because training data is reused across multiple training epochs, we use the notion of \Renyi differential privacy to formulate tight bounds on the strength of privacy provided by the Dirichlet mechanism across repeated uses. We show empirically that we attain new state-of-the-art accuracy when training from scratch on CIFAR10, MNIST, MedMNIST, FashionMNIST, and SVHN across all privacy budgets evaluated. Notably, when implementing $(\epsilon, \delta)$-differential privacy with $\delta=10^{-5}$, we improve the prior state-of-the-art accuracy from $78.37\%$ to $88.17\%$ at $\epsilon=4$ on CIFAR10, and our approach has $82.96\%$ accuracy even for $\epsilon=1$, which significantly outperforms prior work.
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All authors Huaiyuan Rao, Calvin Hawkins, Alexander Benvenuti, Matthew Hale

Machine Learning · Cross-listed from cs.CL

On the Computational Complexity of Structural Generalization

Structural generalization has been measured repeatedly by several benchmarks, yet it has never been formally defined. We give a definition that translates the two premises (compositional structure and unbounded generalization) into mathematical language. The definition itself is neutral: a compiler that hard-codes the rules satisfies it just as well. But structural generalization becomes a scientific question only insofar as the capacity can autonomously emerge from finite data. This question pits the computational lower bound $\mathrm{NC}^1$ against the learnable ceiling $\mathrm{TC}^0$ of pure Transformers. Under a Montagovian instantiation, each compositional rule splits into two projections: a syntactic face ($F_\gamma$) and a semantic face ($G_\gamma$). Tree evaluation on the $G_\gamma$ side is an instantiation of BFVP, which is $\mathrm{NC}^1$-complete (Buss, 1987). A pure Transformer must learn both faces at once, but Kraus et al. (2026) prove that its learnable class $\subseteq \mathrm{TC}^0$. Under the standard assumption $\mathrm{TC}^0 \neq \mathrm{NC}^1$, a pure Transformer cannot learn structural generalization. Neuro-symbolic systems achieve the best benchmark scores precisely because they inject $G_\gamma$, sidestepping the genuinely hard half. Benchmark scores cannot distinguish "learned" from "given." This is what this paper sets out to make clear.
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Machine Learning · Cross-listed from quant-ph

Machine-learned syndrome post-selection for reliable quantum error correction

Quantum error correction can be enhanced by post-selecting out runs that are likely to produce a logical failure, but the most accurate measures for that require costly decoder-level information. We introduce a practical, decoder-agnostic post-selection method that learns directly from syndrome data. The method trains a supervised classifier to distinguish between syndromes from low- and high-noise regimes, and then uses the classifier's output as an abort score for new runs, without requiring logical-error labels, correction operators, or code-specific likelihood calculations. We validate the approach in three complementary settings: circuit-level simulations of the Gross bivariate-bicycle code, code-capacity simulations of the surface code, and experimental logical magic-state distillation data from the QuEra neutral-atom processor. In the Gross and surface codes, learned syndrome post-selection reduces the conditional logical error rate at a fixed acceptance rate, with performance comparable to syndrome-weight filtering. For the surface code, the learned classifier reveals a post-selection transition distinct from the conventional decoding threshold. In the experimental data, the machine-learning score outperforms syndrome-weight post-selection and, when combined with logical-gap filtering, improves the output fidelity beyond using the logical gap alone. These results show that syndrome-only learning provides a scalable and hardware-compatible route to improving the reliability of quantum error correction.
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Machine Learning · Cross-listed from math.OC

Online Optimization of Difference-of-Convex Compositions with Smooth Mappings

We study online optimization for a broad class of structured non-convex non-smooth problems where each loss is a composition of a difference-of-convex function with a smooth mapping, and the feasible region is defined by constraint functions of the same kind. We propose a time-smoothed proximal linear algorithm and a local-regret measure based on a proximal residual mapping. We show that this residual is a proper stationarity measure for the original problem: its fixed-point condition implies first-order stationarity. Our analysis relies on a tangent-cone characterization for a feasible region described by composite difference-of-convex constraints, which is of independent interest and allows each update to be computed via a convex optimization oracle, despite the non-convexity of the problem. We establish a local-regret bound and a bound on the total number of inner convex subproblems. We also derive an error bound connecting the proximal residual to the distance to stationarity, providing a quantitative certificate of approximate stationarity.
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Machine Learning

Modeling Fly Social Behavior with Agent-Centric Pose Forecasting

Understanding animal behavior at an algorithmic level – what animals attend to, how they form internal representations, and how this maps to action – remains a central challenge in neuroethology. We explore how well large generative models capture properties of fly social behavior. We combine transformers with agent-centric representations. Models input egocentric sensory observations and output egocentric movements, mirroring biological constraints. Social behavior emerges from agents independently sensing and responding to one another. We demonstrate that this simple model captures many properties of fly behavior, outperforming the world-centric representation and achieving SOTA on MABe 2022-fly. We systematically evaluate properties of the representation important for capturing the behavior distribution through a series of lesioning experiments. These comparisons were enabled by a new, general-purpose library for animal-centric pose forecasting.
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Machine Learning · Cross-listed from stat.ML

RELTA-SGLD: Relative-Growth Localized Taming for Nonconvex Stochastic-Gradient Langevin Learning

We introduce RELTA-SGLD, a taming scheme that stabilizes superlinear stochastic-gradient updates while reducing unnecessary suppression of the original learning drift. A threshold determines where the taming turns on, while a relative-growth principle derived from the one-step Lyapunov stability condition determines the required taming strength. Together, they produce a lighter $\lambda$-scale denominator and preserve a nonvanishing far-tail return. As a consequence, we prove polynomial moment stability and first-order stationary accuracy in both $W_1$ and $W_2$ for nonconvex SGLD with superlinearly growing stochastic-gradient oracles, improving the corresponding half-order and quarter-order bounds for comparable stochastic-gradient tamed schemes. On Fashion-MNIST under active stabilization pressure, RELTA improves the mean learning metrics over both untamed SGLD and TUSLA and remains competitive with a tuned AdamW reference. In an ordinary-training regime, its lighter localized denominator reduces unnecessary perturbation of the original update and maintains nearly untamed learning dynamics.
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Machine Learning

Trustworthy Privacy-Preserving Multimodal Federated Learning for Personalised Breast Cancer Prediction

Federated learning has emerged as a potential solution to privacy concerns associated with using sensitive health data for training predictive models, particularly in personalised cancer care. This research investigates whether federated learning can support the development of robust models for predicting tumour progression in breast cancer patients while addressing four critical deployment pillars: transparency, scalability, security, and fairness. This study evaluates a federated learning framework using multimodal data, including clinical information, tumour characteristics, biomarker data, and patient demographics, alongside medical imaging data such as MRI scans, to model changes in tumour characteristics over time. The performance of the federated approach was compared with that of a centralised model trained on aggregated data. The report then further examines strategies to enhance secure model updates, maintain performance across patient subgroups, and support scalability across institutions. The findings assess whether federated learning can achieve predictive performance comparable to centralised learning while preserving data locality. These results contribute to understanding the feasibility of privacy-preserving, multimodal predictive modelling and support future applications such as digital twins to assist clinicians and patients in personalised treatment planning.
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All authors Ruth Amey, Muhammad Arifur Rahman, Taha Osman, Nicholas Shopland, Andy Burton, Mufti Mahmud, David J. Brown

Machine Learning · Cross-listed from math.OC

Equilibrium Causal Games: Separation, Identification, and the Identifiability of Cyclic Latent States

Power grids, markets, and interacting populations, settle into feedback driven equilibria observed through unknown sensors. Our Equilibrium Causal Game (ECG) joins a game to its cyclic causal model, hidden inputs, sensor map, and rules for interventions and equilibrium selection; interventions edit declared objects and recompute equilibrium. Under stated conditions, ECG-separation is sound but incomplete in our examples. Back-door/half-trek routes identify observed queries. Yet for an untouched rotationally symmetric Gaussian block, second moments determine only a source-frame rotation, across which distinct-variable effects generically change. Unknown sensing creates a separate ambiguity. In passive stable linear models without self-effects, unknown wiring and full-rank unknown sensing leave $B$ completely unidentified for $d\ge2$. Under LiNG, non-Gaussianity removes the source rotation; mechanism interventions separate sensing from interactions. With unknown support, invariant sensing, aligned responses, and well-posed single-target interventions identify $(H,B)$ up to declared equivalence. Of $d$ targets, $d-1$ suffice exactly when the sole untargeted node directly parents all others; otherwise $d$ are needed. Acquisition probes are excluded; known wiring gives no universal count. With nonlinear sensing, isotropic Gaussian source blocks admit hidden twists within and across blocks in labelled environments preserving required radial laws. Conversely, under stated positivity, informative one-block changes, rank, and irreducibility conditions, the finest independent source-block representation is identified within the stated alternative class up to block permutation and blockwise coordinate changes, but not downstream mechanisms or the sensor/interaction split. Together, these results show which causal conclusions equilibrium data support and which require targeted experiments.
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Machine Learning

The C-index illusion: discrimination without calibration in published survival models

Recent work has argued normatively, on synthetic data, that evaluating survival models by discrimination alone (concordance index) yields systematically misleading model comparisons, because the metric ignores calibration and time-dependent accuracy. Whether this matters for real, published, non-clinical models has not been tested. We reproduce three published survival-ML models across three structurally distinct domains – hard-drive failure prediction, peer-to-peer credit default, and user disengagement on digital platforms – validate our instrument against the anchor paper's own synthetic experiment, and test five pre-registered hypotheses under a Holm-corrected family-wise error rate. Three of five reject (though one pre-registered threshold clears by a narrow margin). A model reproducing the published literature's discrimination almost exactly (C = 0.9595 vs. 0.958 reported) fails a formal calibration test at p < 0.001; a broad feature-ablation search finds no single attribute responsible for its discrimination, so the calibration failure is not a trivial shortcut artifact. A lender's estimated default risk is biased upward by roughly two percentage points, growing to nearly four in the riskiest segment, when loan prepayment is treated as non-informative censoring rather than a competing risk. A platform's churn model shows probability estimates that degrade with the horizon even as global discrimination stays within the pre-registered C-index band. A direct test of whether metric choice inverts model preference does not reject, though with limited power given two to three models per domain; the failure mode we document is better characterized as misplaced confidence in a chosen model than as choosing the wrong one. We release a pre-registered evaluation harness with full code and an annotated notebook, so these results can be verified independently and the audit extended.
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Machine Learning

SynPre-FL: Synthetic data-driven pretraining integrated Federated Learning training framework

Federated learning (FL) offers a promising approach to privacy-preserving clinical risk prediction, but its deployment remains limited by restricted data sharing, client heterogeneity, class imbalance, and the lack of realistic tabular electronic health record (EHR) benchmarks. Synthetic data generation may alleviate data scarcity, yet its integration with federated optimisation has received limited systematic study. We propose SynPre-FL, a unified framework combining high-fidelity synthetic EHR generation with synthetic-pretrained FL for robust prediction under non-IID conditions. A latent autoencoder-diffusion model generates privacy-preserving synthetic cohorts, which are used to warm-start federated training. This pretraining is followed by heterogeneity-aware optimisation using class-balanced local objectives, proximal regularisation, and adaptive server aggregation. Post-hoc calibration and federated-safe explainability support reliable and interpretable risk estimates. Experiments show that the synthetic generator preserves univariate, bivariate, and multivariate structure while protecting against membership-inference and reconstruction attacks. The generated data achieve strong downstream utility under TSTR, TRTS, and model-based evaluations. Across federated settings with 5, 10, and 15 heterogeneous clients, SynPre-FL consistently improves robustness and scalability over baseline methods, especially under severe non-IID fragmentation. Calibration improves probability reliability, while SHAP analysis produces stable and clinically coherent feature attributions across federation sizes. SynPre-FL therefore provides a practical and reproducible framework for combining synthetic data with FL to enable privacy-aware, interpretable, and robust clinical prediction from distributed tabular EHR data.
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All authors Akarsh K Nair, Muhammad Arifur Rahman, Nicholas Shopland, Andy Burton, Jun He, Yuan Shen, David Baldwin, Emma O'Dowd, Amna Burzic, Mufti Mahmud, David J. Brown

Machine Learning

Geospatial Diffusion-based Evolution Synthesis (GeoDES) for Storm-Centered Weather Augmentation

While machine learning-based weather models hold significant promise, they struggle to predict the detailed structure of large-scale weather systems such as cyclonic storms. Regional models are constrained by limited historical records within fixed geographic boundaries, while global models are computationally expensive and often operate at resolutions too coarse to capture fine-grained storm dynamics. To bridge this gap, we introduce the Geospatial Diffusion-based Evolution Synthesis (GeoDES) model, a custom image-to-video diffusion model. By focusing generation strictly on the evolving storm structure, GeoDES synthesizes physically consistent, high-fidelity weather events suitable for stress-testing forecast models and expanding meteorological datasets. Evaluations demonstrate that GeoDES outperforms prior methods on key metrics, achieving $52\%$ lower Peak Vorticity Error and $8\%$ higher Anomaly Correlation Coefficient than the next strongest methods on the North Atlantic test set.
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All authors Sonia Cromp, Satya Sai Srinath Namburi GNVV, Youran Wang, Grace Kisslinger, Frederic Sala, James Booth, Allegra LeGrande

Machine Learning · Cross-listed from stat.ML

Boltzmann-Expected Molecular Design with Decoupled Annealing Flows

Most 3D properties relevant to molecular design, including free energies and shape descriptors, are $\textit{expectations}$ over the Boltzmann distribution over 3D configurations of a molecular graph. However, existing property-guided generative models tie each property to a single structure, ignoring the underlying ensemble. We recast 3D molecular design as $\textbf{Boltzmann-expected design}$ and realise it with $\textbf{DECAF}$ (Decoupled Annealing Flows), which factorise the joint distribution over graphs and coordinates into two conditional flow models: a graph-conditioned flow $p(x\mid\mathcal{G})$, acting as a $\textit{Boltzmann emulator}$, and a coordinate-conditioned flow $p(\mathcal{G}\mid x)$, proposing new graphs from 3D information. By alternating the two flows, DECAF optimises molecular graphs with a simulated-annealing acceptance rule whose scoring function is evaluated on ensembles drawn from $p(x\mid\mathcal{G})$, making ensemble statistics, not single-conformer properties, the design target. The resulting loop requires no retraining to change objectives. On GEOM-Drugs, we show that ensemble-aware optimisation produces graphs whose mean radius of gyration and solvent-accessible surface area consistently shift toward targets, while single-conformer optimisation degrades on larger drug-like molecules where Boltzmann distributions are broadest. DECAF extends to multi-objective trade-offs and, uniquely among 3D generative models, to $\textbf{higher-moment design}$: jointly optimising an ensemble property's variance and skewness to produce flexible molecules biased to a prescribed conformational regime: we verify the conformational distributions of these higher-moment designs with all-atom MD simulations.
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All authors Selma Moqvist, Richard Beckmann, Ross Irwin, Rocío Mercado, Simon Olsson

Machine Learning

Do Sheaf Neural Networks Use Holonomy? A Measure–Intervene–Control Study

Geometric architectures are often motivated by internal mechanisms, but accuracy alone does not show whether predictions use them. In Sheaf Neural Networks (SNNs), edge transports form a connection whose cycle products define holonomy. We ask whether training changes triangle holonomy, whether predictions rely on the learned connection, and whether holonomy drives triangle counting. We use basis-independent loop readouts with identity interventions and shortcut controls. On high-homophily GraphUniverse graphs, triangle counting increases the mean SO(2) triangle rotation in Neural Sheaf Propagation (NSP) from 0.010 to 0.388 radians, while community detection ends at 0.029 radians. With more data, learned SO(2)–NSP outperforms Identity NSP, and replacing its transports after training increases error further. However, ridge regression is more accurate, diagonal maps improve without continuous rotation, and fixed-degree models develop rotation without improved counting. Thus, NSP can learn and rely on a nontrivial connection, but our experiments do not show that triangle holonomy drives its predictions.
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