Machine Learning · Cross-listed from cs.CV
Geometric Gradient Rectification for Safe Open-Set Semi-Supervised Learning
Jiahe Chen, Qian Shao, Qiyuan Chen et al. (+4 more)
Open-set semi-supervised learning aims to leverage unlabeled data that may contain out-of-distribution outliers while maintaining performance on in-distribution classes. Existing methods mainly follow two paradigms: filtering suspicious samples or incorporating unlabeled objectives with soft weighting. We argue that both face a common trade-off: aggressive filtering can discard informative but hard ID samples, whereas utilization can introduce auxiliary gradients that conflict with supervised learning when pseudo labels are wrong. We therefore shift the focus from sample selection to gradient-level control. We propose
Geometric Gradient Rectification (GGR), a plug-in framework that uses the supervised gradient as an anchor and projects conflicting auxiliary gradients onto an admissible region in gradient space. This makes the applied auxiliary update first-order non-opposing within the rectified coordinate block while preserving orthogonal components that may still carry useful representation signals. We further extend GGR with subspace-aware rectification to stabilize the anchor under noisy mini-batch gradients. Experiments on CIFAR and ImageNet
benchmarks show that GGR improves representative OSSL baselines in most settings and yields gains in both closed-set generalization and open-set robustness. Code will be available at https://github.com/JiaheChen2002/GGR.
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All authors Jiahe Chen, Qian Shao, Qiyuan Chen, Jiaying He, Jintai Chen, Jian Wu, Hongxia Xu
Machine Learning · Cross-listed from cs.CR
Jailbreaking for the Average Jane: Choosing Optimal Jailbreaks via Bandit Algorithms for Automatically Enhanced Queries
Prarabdh Shukla, Ritik, Suhas Rao et al. (+2 more)
With a profusion of jailbreaks for LLMs now widely known, a growing concern is that non-expert malicious actors ("the average Jane") could elicit actionable responses to malicious requests. In this work, we examine whether this concern is justified. A non-expert malicious actor requires two ingredients for a successful attack: a powerful jailbreak for their target model, acting on an effective malicious query. For the former, we propose a novel attack strategy based on the multi-armed bandit framework. This allows efficient online learning of the optimal jailbreak from a large choice set via noisy exploration on a small number of queries, with subsequent application of the learnt policy on an exploitation set. For the latter, we curate $\mathrm{FrankensteinBench}$, a safety
benchmark of $11,279$ malicious queries drawn from manual curation over $7$ existing
benchmarks, along with automated enhancement and generation. Each query is categorized as simple or complex by the technical expertise required to craft it. Our findings confirm the concern. Our bandit-based attack achieves success rates as high as $97\%$ on average over $15$ SoTA open-weight LLMs. Moreover, adding complexity to queries raises the attack success rate by up to $26\%$ on average across models – making it an effective, automatable prompting strategy.
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All authors Prarabdh Shukla, Ritik, Suhas Rao, Arpit Agarwal, Arjun Bhagoji
Machine Learning
GEOALIGN: Geometric Rollout Curation for Robust LLM Reinforcement Learning
Ting Zhou, Zhenqing Ling, Yiyang Zhao et al. (+2 more)
Online reinforcement learning is widely used to align large
language models (LLMs) with reward signals, yet training can be unstable under noisy or misspecified rewards. We identify a failure mode we call directional inconsistency: within a batch, a small set of high-reward rollouts induces representation-space preference directions that sharply disagree with the batch majority, resulting in high-variance and destabilizing updates. We propose geoalign, a lightweight plug-in for rollout curation in iterative policy optimization. Geoalign (i) forms within-
prompt preference pairs, (ii) learns an online projector on per-rollout hidden states to concentrate reward-ordered displacement directions, and (iii) detects directionally inconsistent rollouts via their angular deviation from a batch consensus prototype and rectifies them with within-
prompt stable alternatives. Geoalign is forward-pass only and adds negligible overhead. Across dialogue
alignment with a learned reward model and mathematical
reasoning with binary verified rewards, Geoalign improves final performance and reduces training oscillation, outperforming PF-PPO, PAR, PODS, and Seed-GRPO. These results suggest latent directional consensus as an effective reliability signal for online LLM RL.
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All authors Ting Zhou, Zhenqing Ling, Yiyang Zhao, Ying Shen, Daoyuan Chen
Machine Learning · Cross-listed from cs.CV
Tractography-Driven Synthetic Data Generation for Fiber Bundle Segmentation in Tracer Histology
Kyriaki-Margarita Bintsi, Sparsh Makharia, Yaël Balbastre et al. (+4 more)
Diffusion MRI (dMRI) tractography enables non-invasive reconstruction of white-matter pathways, but its accuracy is fundamentally limited by indirect, low-resolution measurements of axonal organization. Tracer injection studies in non-human primates provide a gold standard for validating dMRI tractography. This, however, requires time-consuming manual annotation of fiber bundles in histology sections. We propose a synthetic-data augmented framework for automated fiber bundle
segmentation in macaque tracer histology. Our approach uses ex vivo dMRI tractography as a generative prior to synthesize 2D image patches for training. This provides us with sufficiently realistic foreground texture, which we compose with backgrounds from blockface photos and diversify via domain randomization. A 2D U-Net is trained on mixed real and synthetic patches. Experiments on held-out
brains demonstrate improved generalization across
brains and fiber bundle densities compared to training with real data only. Training with synthetic data only leads to poor performance, underscoring the need for real supervision. Overall, our approach achieves performance comparable to the state-of-the-art while requiring 3x less manually annotated data.
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All authors Kyriaki-Margarita Bintsi, Sparsh Makharia, Yaël Balbastre, Joselyn Romero Avila, Julia F. Lehman, Suzanne N. Haber, Anastasia Yendiki
Machine Learning
Asymptotically Optimal Learning for Parametric Prophet Inequalities
Jung-hun Kim, Anna Grebennikova and Vianney Perchet
We study learning in prophet inequalities with i.i.d. rewards drawn from an exponential-type parametric family with an unknown parameter $\theta$, a class that includes exponential, Pareto, and bounded-support power-family distributions. We first characterize the optimal full-information asymptotic competitive ratio for this family. In the unbounded-support case, the limit is $ {\left({\theta}/({\theta-c_+})\right)^{c_+/\theta}}/ {\Gamma(1-c_+/\theta)},$ while in the bounded-support case, the limit is $1$. We then propose a confidence-based dynamic-programming policy for online learning. By exploiting the explicit parametric structure, the policy achieves the same optimal asymptotic competitive ratio using only online observations, without external offline samples. We further derive distribution-specific convergence rates for canonical examples. Finally, numerical experiments on synthetic instances illustrate the performance of our
algorithm.
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Machine Learning · Cross-listed from math.NA
Accelerated sampling using SamAdams variable timesteps and position-adaptive Langevin dynamics
Benedict Leimkuhler and Peter A. Whalley
We introduce an accelerated Langevin-based sampling method that is based on two complementary devices: SamAdams adaptive timestepping, which automatically shrinks the effective integration step in stiff regions of phase space using a relaxed stiffness monitor, and position-adaptive Langevin (PAL) dynamics, which concentrates friction along the local force direction while preserving the canonical distribution as the exact invariant measure. The resulting combined scheme (SA-PAL) is implemented in a palindromic integrator which requires only one force evaluation per iteration through suitable organisation of the integration steps and by exploiting the rank-one-plus-scalar structure of the PAL friction tensor. We test the method on various model problems: the Rosenbrock function, a thin entropic channel, the Mueller-Brown potential, and a
Bayesian parameterisation problem with a sparsity-inducing shrinkage prior. On the Rosenbrock and Mueller-Brown potentials mixing rates are improved by 1.5-3 times compared to fixed stepsize integration. Efficiency gains of more than an order of magnitude are documented in the other examples.
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Machine Learning · Cross-listed from cs.CL
Heterogeneous Neural Predictivity from Language Models During Naturalistic Comprehension
Xiao Jia
Language-model representations provide structured, high-dimensional annotations of naturalistic
language stimuli and can serve as informative neural predictors during comprehension. We analyzed locked derived data from
Brain Treebank, MEG-MASC, and Podcast ECoG with eight frozen
language models, blocked encoding models, and matched temporal, nuisance, and representation-capacity controls. Positive held-out prediction and gains over low-level baselines were widespread in source-level summaries. Across
Brain Treebank and Podcast ECoG, 67 of 432 evaluable rows met a controlled predictive-only criterion, and model-side feature ablations changed prediction scores in most evaluable source rows.
Brain-derived, timing-linked, acoustic, and implanted-signal controls confirmed component-level sensitivity of the analysis pipeline. These findings show that
language-model-derived quantities can annotate neural activity during natural
speech and text comprehension. Participant-level matched-control advantages were localized rather than uniform, response-profile and feature-specificity contrasts bounded representational or computational interpretations, and complete co-indexed integrated interpretation will require future jointly indexed coverage. Together, the analyses identify
language-model features as useful neural predictors and separate predictive usefulness from claims about shared neural organization or
language-processing computations.
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Machine Learning · Cross-listed from quant-ph
Scalable Message-Passing Quantum Graph Neural Networks in the Weisfeiler-Leman Hierarchy
Snehal Raj, Brian Coyle, Léo Monbroussou et al. (+3 more)
Graphs provide a natural
language for relational data in chemistry, biology and optimisation. Graph neural networks (GNNs) have driven much of the recent progress in learning from such data through message passing, a single primitive that generalises convolution and
attention.
Quantum counterparts have been proposed, but with limited connection to message passing and few guarantees on performance or scalability. More broadly, the trainability of variational
quantum circuits is a recognised bottleneck for their wide applicability, and pre-training has emerged as one way to address it. Yet for a
quantum model to be useful, it must offer expressivity guarantees along with demonstrable scalability. Here we show how a
quantum graph neural network can be built to perform message passing, to be permutation equivariant, and to sit at a chosen level of the Weisfeiler-Leman hierarchy, the standard measure of how finely a model can tell graphs apart. We show that, as for classical GNNs, the training can be done first on small graph instances, allowing for a pre-training that can mitigate usual training issues, and its output can be read out at a cost that stays low as the graph grows. We validate the framework in large-scale simulations of up to 56
qubits across three
datasets, on synthetic graphs that ordinary message passing cannot separate, on molecular property prediction, and on the travelling salesperson problem. Our framework opens a path for near-term
quantum algorithms with theoretical guarantees and practical scalability, bringing the principles of graph learning into
quantum circuit design.
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All authors Snehal Raj, Brian Coyle, Léo Monbroussou, André J. Ferreira-Martins, Renato M. S. Farias, Elham Kashefi
Machine Learning
Quantization in Federated Learning: Methods, Challenges and Future Directions
Farwa Ikram, Dipanwita Thakur, Antonella Guzzo et al. (+1 more)
Federated Learning (FL) has become a foundational paradigm for
privacy-preserving distributed intelligence, yet its scalability remains fundamentally constrained by communication bottlenecks, device heterogeneity, and the challenges of training under statistically non-IID data. Quantization is one of the most effective mechanisms for mitigating these limitations, reducing both uplink/downlink payloads and on-device computation. This paper provides the first FL-centric systematic review of quantization, introducing a novel taxonomy organized around FL-specific dimensions, including client heterogeneity, aggregation consistency, communication-scheduling adaptation, non-IID robustness,
privacy/security integration, and hardware/energy co-optimization. Beyond cataloging existing methods, we analyze how quantization interacts with core FL behaviors such as client drift, partial participation, convergence stability, secure aggregation, and differential
privacy. We further identify cross-method insights, open research gaps, and design guidelines for practitioners deploying quantized FL on mobile, IoT, and edge platforms. This survey thus establishes quantization not merely as a compression technique, but as a fundamental systems component shaping the performance, robustness, and practicality of modern FL.
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All authors Farwa Ikram, Dipanwita Thakur, Antonella Guzzo, Giancarlo Fortino
Machine Learning · Cross-listed from cs.AI
Memory Depth, Not Memory Access: Selective Parametric Consolidation for Long-Running Language Agents
Haoliang Han
Long-running
language agents need more than
memory access.
Retrieval systems can fetch past facts at query time, but they do not decide which experiences should continue to shape behavior after the working context is unloaded. We study this separate problem as
memory depth: durable goal-conditioned tendencies written into a small parametric store. We introduce the loop-drift protocol, a controlled stress test in which the
retrieval index remains intact while working context is unloaded and goal-conditioned behavior must persist under long-loop interference. We evaluate EVAF, a surprise- and valence-gated LoRA consolidation mechanism. Across GPT-2 and TinyLlama,
retrieval is strongest on shallow factual recall (short-fact accuracy 0.956–0.973), while EVAF is strongest on goal persistence and post-unload recovery (0.812–0.904) with only 2–3 parametric writes per 200 events. Mechanism controls show that selective consolidation factorizes into two controllable dimensions: selection and actuation. Matched random gates isolate selection beyond sparse writing; fixed-inner controls across GPT-2, TinyLlama, and Mistral-7B show that inner-loop write strength is model-dependent; and a Mistral-7B matched-gate inversion reveals asymmetric selection-actuation coupling under miscalibrated actuation. Public Memora event streams serve as an external diagnostic, exposing stale-
memory invalidation as an unresolved boundary. Within this probe, selective parametric consolidation supplies
memory depth distinct from and complementary to
retrieval access.
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Machine Learning
Reasoning Quality Emerges Early: Data Curation for Reasoning Models
Hongyi Henry Jin, Wenhan Yang, Meysam Ghaffari et al. (+2 more)
Supervised fine-tuning (SFT) on a small, high-quality set of long
reasoning traces is an effective approach for eliciting strong
reasoning capabilities in Large
Language Models (LLMs). However, existing methods for curating high-quality SFT data rely heavily on strong
reasoning models to filter examples based on diversity and difficulty, making the curation process costly while often yielding suboptimal data quality. In this work, we show that diverse and challenging
reasoning examples can be identified using only the initial
reasoning tokens. Specifically, we demonstrate that difficult problems can be reliably detected based on the loss of the first 100
reasoning tokens evaluated at a randomly perturbed checkpoint of the pretrained model. We further show that examples exhibiting similar loss patterns over their first 1k
reasoning tokens across a small number of perturbed checkpoints extrapolating along the fine-tuning trajectory provably induce similar gradients. We validate our approach through extensive experiments on fine-tuning Qwen2.5-7B and Llama3.1-8B models on the M23K medical
reasoning and OpenThoughts-Math
datasets. Our method outperforms existing baselines by up to 1.7% while being 91% more
token efficient.
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All authors Hongyi Henry Jin, Wenhan Yang, Meysam Ghaffari, Carlos Morato, Baharan Mirzasoleiman
Machine Learning · Cross-listed from cs.CR
MIRROR: Novelty-Constrained Memory-Guided MCTS Red-Teaming for Agentic RAG
Inderjeet Singh, Andrés Murillo, Motoyoshi Sekiya et al. (+2 more)
Multimodal agentic
retrieval-augmented generation (RAG) systems expand the attack surface beyond
prompt injection to include text poisoning, image injection, direct-query attacks, and orchestrator-level tool manipulation. Existing red-teaming approaches are typically surface-specific and often recycle known attack templates; on text-poisoning
benchmarks we measure 73-84% exact duplication. We present MIRROR, a unified cross-surface framework that performs
memory-guided Monte Carlo tree search while conditioning candidate generation on retrieved context under an explicit novelty constraint. A deterministic Novelty Gate rejects any candidate matching the
retrieval set under normalized comparison, allowing
retrieval to inform search priors without enabling
prompt copying. Across four attack surfaces on a
multimodal agentic RAG target, MIRROR attains 76% ASR on image poisoning compared with 52% for baselines, 97% ASR on orchestrator attacks at half the query cost, and the lowest cross-surface variance (coefficient of variation 0.47). In contrast, specialized baselines collapse across surfaces: suffix optimization reaches 79% ASR on text poisoning but 1% on direct queries. We release ART-SafeBench with 41,815 in-package records and runtime adapters yielding 41,991+ total records across four surfaces.
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All authors Inderjeet Singh, Andrés Murillo, Motoyoshi Sekiya, Yuki Unno, Junichi Suga
Machine Learning
AIGP: An LLM-Based Framework for Long-Term Value Alignment in E-Commerce Pricing
Chennan Ma, Yanning Zhang, Siqi Hong et al. (+3 more)
Traditional dynamic pricing models in large-scale e-commerce suffer from limited interpretability, poor utilization of unstructured information, and misalignment with long-term business objectives such as cumulative Gross Merchandise Value (GMV), Return on Investment (ROI) and milestone achievement. We propose AIGP, a novel framework that leverages a Large
Language Model (LLM) prompted with domain knowledge, structured data and textual context to make interpretable, knowledge-aware pricing decisions. For efficient deployment while maintaining high-quality outputs, we employ supervised fine-tuning for knowledge
distillation. Central to AIGP is the Long-Term Value
Estimator (LTVE), trained via offline reinforcement learning on historical data, which serves as a reward model to score candidate pricing actions and select preference pairs for Direct Preference Optimization (DPO), thereby aligning the pricing policy with long-term business objectives. Extensive offline evaluations and large-scale online A/B tests on Tao Factory demonstrate that AIGP achieves significant improvements: +13.21% in GMV, +7.59% in ROI, and +8.20% in milestone achievement rate over 14 days compared to the production baseline, while simultaneously providing interpretable and transparent pricing rationales.
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All authors Chennan Ma, Yanning Zhang, Siqi Hong, Xiuchong Wang, Fei Xiao, Keping Yang
Machine Learning
Reproducibility Study of "AlphaEdit: Null-Space Constrained Knowledge Editing for Language Models"
Ananth K Suresh and Arya Hariharan
Fang et al. (2025) introduced a null-space constrained projection, named AlphaEdit, for locate-then-edit knowledge editing methods, theoretically guaranteeing that edits do not disrupt previously preserved knowledge, and reports substantial gains over existing editing methods on LLaMA3, GPT2-XL, and GPT-J. In this work, we present a reproducibility study of AlphaEdit, reproducing its reported results under the original experimental setup and extending the evaluation along three axes: new model architectures, additional downstream
benchmarks, and substantially longer sequential editing horizons. We successfully reproduce AlphaEdit's reported metrics across the original models, though we identify a discrepancy in the reported fluency and consistency metric. Extending AlphaEdit to newer model families, we find that its advantage does not generalize uniformly, which we trace to architectural assumptions in the locate-then-edit paradigm that are violated by these newer models. We further stress-test AlphaEdit's central sequential-editing claim by extending the number of edits well beyond those evaluated in the original paper, and find that performance, which is stable at the originally reported scale, degrades as edits reach a much higher count, indicating that the null-space projection's protection against catastrophic forgetting is bounded rather than unconditional. Finally, we extend evaluation of edited models on three extra
benchmarks, namely, BoolQ, HellaSwag, and XSTest, and we find that large-scale sequential editing degrades both general downstream task competence and safety-relevant refusal behavior. Our results confirm that AlphaEdit performs as reported within its original scope, while showing that its core theoretical guarantees are sensitive to model architecture and editing scale in ways that have practical implications for its deployment.
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Machine Learning · Cross-listed from cs.CV
LearniBridge: Learnable Calibration of Feature Caching for Diffusion Models Acceleration
Xuyue Huang, Zhe Chen, Wang Shen et al. (+1 more)
Diffusion Transformers (DiTs) have driven substantial progress in image and
video generation but suffer from prohibitive computational costs. Feature caching accelerates inference by reusing intermediate representations. Existing methods rely on historical features for implementation simplicity, yet suffer from severe error accumulation at high acceleration ratios. To address this limitation, we investigate the nature of the requisite feature correction. We demonstrate that the optimal calibration update is characterized by a shared low-rank subspace across diverse
prompts. Guided by this structural insight, we propose LearniBridge, a learnable calibration mechanism for feature caching that bridges multiple timesteps through lightweight LoRA updates. This mechanism enables effective calibration requiring only 3-5 training samples. Extensive experiments on image and
video generation show that LearniBridge achieves up to $5.87\times$, $5.75\times$, and $4.10\times$ acceleration on FLUX, HunyuanVideo, and WAN2.1, respectively. On WAN2.1, it improves VBench by 1.28% over the previous SOTA at $4.10\times$ acceleration. Our code is available at https://github.com/Iiiiiiirene/LearniBridge.
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All authors Xuyue Huang, Zhe Chen, Wang Shen, Xiao-Ping Zhang
Machine Learning · Cross-listed from cs.CL
Evaluation Pitfalls and Challenges in Multimedia Event Extraction
Philipp Seeberger, Steffen Freisinger, Tobias Bocklet et al. (+1 more)
Multimedia event extraction aims to jointly identify events and their arguments across multiple modalities, such as text and images, to support more comprehensive event understanding. While recent work reports steady and substantial progress, the reliability and comparability of these results critically depend on consistent and rigorous evaluation. In this work, we present the first systematic analysis of evaluation pitfalls in multimedia event extraction and identify three major sources of issues: inconsistent data processing, inconsistent task assumptions, and overly relaxed evaluation settings. We demonstrate, through a series of controlled experiments under a strict evaluation framework, that minor evaluation choices can cause large performance variations and lead to overestimation of a model's ability to ground real-world events across modalities. Our findings highlight the need for comparable evaluation standards and encourage a shift toward more rigorous evaluation in multimedia event extraction.
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All authors Philipp Seeberger, Steffen Freisinger, Tobias Bocklet, Korbinian Riedhammer
Machine Learning
Escaping Iterative Parameter-Space Noise: Differentially Private Learning with a Hypernetwork
Naoki Nishikawa, Shokichi Takakura and Satoshi Hasegawa
Differentially private (DP) training of neural networks is often hindered by the large amount of noise required by gradient-based methods such as DP-SGD, which repeatedly inject high-dimensional noise in parameter space throughout training. In this paper, we propose a new framework for DP learning that avoids iterative optimization in parameter space. Instead of updating the target model using privatized gradients, we employ a hypernetwork trained on public
datasets to map a private
dataset to the parameters of the target model. Specifically, each example is embedded into a low-dimensional representation, the
embeddings are aggregated and perturbed to obtain a DP
dataset embedding, and the hypernetwork generates the target model parameters from this noisy
embedding. Because
privacy noise is injected only once into a low-dimensional
dataset representation, our approach can significantly reduce the adverse effect of noise. We theoretically show in a synthetic setting that, under a fixed
privacy budget, models produced by our approach achieve higher utility than those trained with DP-SGD. Moreover, we apply our approach to LoRA fine-tuning of
diffusion models and show that it achieves lower FID than LoRA models trained with DP-SGD and other public-data-guided methods.
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Machine Learning · Cross-listed from cs.CV
ProtoKV: Streaming Video Understanding under Delayed Query with Summary-State Memory
Le Tu Ngoc Minh, Jinyeong Lim and Dongsu Han
Streaming
video understanding (SVU) must answer queries that arrive asynchronously while visual
tokens stream continuously under strict GPU-
memory and query-time latency budgets. A key challenge is delayed query: decisive cues may appear briefly, yet many subsequent updates occur before the query arrives, increasing the risk that those cues are evicted or diluted under bounded
memory. We propose ProtoKV, a constant-footprint SVU
memory that represents far history as a fixed-capacity summary state rather than retaining
token instances. ProtoKV keeps an exact near-window KV cache and aggregates older content into a semantic-spatial prototype bank with residual statistics. At query time, each prototype is exposed through a bounded pseudo-
token interface that is drop-in compatible with standard
attention. Under matched budgets and comparable query-time cost, ProtoKV improves accuracy by up to 12.5 points over
token-retention baselines on SVU
benchmarks in the long-delay regime, with gains that grow as query delay increases.
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Machine Learning
Batch-Invariant Spectral Intelligence for Robust and Explainable Insect Authentication
Majharulislam Babor, Giacomo Rossi, Annalisa Altavilla et al. (+2 more)
Edible insects offer an efficient source of alternative
protein, requiring less land and water and emitting less greenhouse gas than conventional livestock. However, their successful integration into the food supply chain demands reliable species authentication to control allergen exposure, prevent adulteration, and meet regulatory standards. Near-infrared spectroscopy provides a rapid analytical tool, but its performance drops when applied to production batches unseen during training due to batch-to-batch variation in spectral measurements. We introduce the Batch-Invariant Spectral Network (BISN), an end-to-end framework that combines a learnable preprocessing module, initialised with Savitzky-Golay filtering, with an unsupervised,
entropy-regularised auxiliary branch connected through a gradient reversal layer. The branch uses no batch labels and supplies opposing
entropy gradients to the auxiliary head and preprocessing module. Using 2,700 spectra from three species (Acheta domesticus, Hermetia illucens, and Tenebrio molitor) collected across three independent production batches, BISN achieves a mean leave-one-batch-out accuracy of 0.93 (standard deviation 0.04), outperforming the strongest baseline by four percentage points (p=0.002). Further insights gained by using explainable AI confirm that model decisions consistently rely on the lipid and
protein absorption regions across all folds, connecting predictive performance to known insect biochemistry. BISN addresses both cross-batch robustness and biochemical interpretability for automated insect species authentication in a controlled benchtop setting. The source code and
dataset are publicly available at https://github.com/majharB/bisn.
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All authors Majharulislam Babor, Giacomo Rossi, Annalisa Altavilla, Oliver Schlüter, Marina M.-C. Höhne
Machine Learning
Structure Before Collapse: Transient semantic geometry in next-token prediction
Yize Zhao, Isabel Papadimitriou and Christos Thrampoulidis
Neural Collapse predicts that balanced one-hot classification pushes model representations to be equally far from each other; a symmetric configuration that depends only on the output label and ignores any semantic similarity in the inputs. This creates a puzzle: next-
token prediction
language models are trained predominantly (as context length increases) with one-hot labels: the same context is very unlikely to appear twice in training with different labels. However, they clearly learn latent structural features. That is, despite the one-hot training regime, a
language model's contextual
embeddings represent the fact that the next word in ”Mary broke the ___” is likely to be filled by
tokens in the latent classes of a) medium-sized, b) rigid, c) inanimate nouns. How does gradient descent find such categorical semantic structure when co-occurrence statistics collapse to one-hot sparsity, eliminating any shared next-
tokens among different contexts? To investigate this tension we identify three synthetic controlled settings where inputs have latent semantic factors but are mapped to distinct one-hot labels. We find that semantic geometry emerges early in training, and that representations cluster by shared attributes despite receiving no explicit supervision to do so. This structure is transient: with sufficient capacity and time, the model eventually reaches the predicted symmetric state where all representations are equally separated. We study this phase transition through Gram
matrix analysis and propose a preliminary modification to the commonly used unconstrained features model to capture the emergent semantic geometry.
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Machine Learning
HyperDFlash: Hyper-Connection-Aligned Block Speculative Decoding with Gated Residual Reduction
Luxi Lin, Shuang Peng, Rui Ma et al. (+7 more)
We present HyperDFlash, a block-parallel speculative decoding framework tailored to DeepSeek-V4's Hyper-Connections (HC). Despite the strong performance of DeepSeek-V4's native Multi-
Token Prediction (MTP) module on initial
token drafting, its draft accuracy degrades sharply at later positions, as error accumulation from unverified intermediate
tokens harms draft acceptance rates. Although the original DFlash method supports efficient one-pass block drafting, it cannot be seamlessly adapted to the HC paradigm, since DeepSeek-V4's multi-path residual stream induces inherent feature misalignment with conventional drafting designs. To resolve this architectural mismatch, we propose two dedicated, model-aligned optimizations for HC residual streams. First, we adopt pre-collapse residual states as the exclusive conditioning signal, preserving complete multi-path structural information and better aligning the drafter with the target's native prediction pathway. Second, we replace the heavy generic linear compressor with a lightweight gated residual reducer, whose parameters are directly inherited from the target model's built-in hc_head module. This design yields input-aware path aggregation with three orders of magnitude fewer parameters while maintaining precise architectural
alignment. We further enhance model training via a targeted KL
distillation loss applied to the LM-head, regularizing predictions against the target distribution to improve early draft quality. Extensive experiments across math
reasoning, code synthesis, and conversational
benchmarks demonstrate that HyperDFlash consistently outperforms both the native MTP baseline and vanilla DFlash adaptation, achieving substantial gains in average accepted draft length and decoding speedup. These results validate HC
alignment, gated reduction, and targeted
distillation for high-performance speculative decoding.
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All authors Luxi Lin, Shuang Peng, Rui Ma, Junhao Hua, Shuwei Fan, Zhengda Qin, Qiang Wang, Hongjian Sun, Fangmin Chen, Songwei Liu
Machine Learning · Cross-listed from cs.AI
Scientific discovery as meta-optimization: a combinatorial optimization case study
Yuan-Hang Zhang, Chesson Sipling and Massimiliano Di Ventra
Scientific discovery is fundamentally an optimization problem, defined by a vast “state space” of theories and experiments, and an evaluation criterion based on quality, novelty, and validity. Large
language models (LLMs) have enabled automated exploration of this state space, but we argue that simultaneous modification of the evaluation criteria is equally important. Here, we propose formalizing research as meta-optimization, where the optimization objective itself is also being optimized. Our key contribution is “consensus objective aggregation,” where a portfolio of LLM-generated objective functions is combined via correlation-weighted voting, allowing the evaluation criterion to evolve alongside the solutions. We apply this framework to
algorithm discovery for planted 3-SAT problems based on digital memcomputing machines. The leading solver from the consensus search reduces median integration steps by more than $38\times$ relative to a tuned baseline at 2,560 variables. Objective ablations show that a well-chosen fixed expert objective can also discover strong solvers, while consensus supplies a stable ranking that mitigates reward hacking behaviors. By bringing objective engineering into the discovery loop, this framework offers a practical route toward more adaptable automated research.
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Machine Learning · Cross-listed from eess.SP
State-specific respiratory signatures for affective and stress recognition: Interpretable respiratory markers, autocorrelation lags, and compact CNN models
Andrei Velichko and Mehmet Tahir Huyut
Respiratory activity is a direct and interpretable physiological channel for wearable stress and affective-state recognition, yet many studies emphasize classification accuracy without identifying which respiratory properties separate different states. Using the chest respiratory channel of the WESAD
dataset, we analyze 60 s windows under leave-one-subject-out validation and combine two complementary branches: compact raw-signal one-dimensional convolutional neural networks (1D-CNNs) and physically grouped handcrafted respiratory signatures. The primary task is stress versus non-stress detection, while baseline, stress, amusement, and meditation are additionally analyzed in a one-vs-rest setting to reveal state-specific respiratory markers. The feature space is organized into respiratory timing, breath-to-breath variability, waveform statistics, spectral/time-frequency descriptors, and autocorrelation/nonlinear predictability descriptors, with the raw 60 s signal treated as a sixth representation for the CNN branch. We introduce autocorrelation transition lags (Zpm/Zmp) as interpretable markers of respiratory correlation scale and separately evaluate exploratory forecast-error-growth/Lyapunov-like descriptors. In the final CNN refit setting, the raw-signal model achieved the strongest stress-vs-rest performance (accuracy 96.72%, macro-F1 95.30%, MCC 90.61%). In contrast, compact feature models were stronger for baseline (MCC 65.34%), amusement (MCC 35.69%), and especially meditation (MCC 88.65%). Strict nested reanalysis of the auxiliary Top-20 stress search yielded mean MCC=82.29% versus 85.45% originally, indicating modest selection optimism. These results show that CNNs are most useful for the practical stress detector, whereas interpretable respiratory signatures provide stronger and more physiologically transparent state-specific markers for several non-stress conditions.
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Machine Learning · Cross-listed from cs.CR
DroidBreaker: Practical and Functional Problem-Space Attacks on Machine-Learning Android Malware Detectors
Christian Scano, Diego Soi, Angelo Sotgiu et al. (+5 more)
Adversarial APKs are Android applications modified in the problem space to evade machine-learning malware detectors. In this work, we first show that, despite claims, existing problem-space attacks remain largely impractical. Most techniques leverage software transplantation to inject entire benign modules, introducing many side-effect features and often causing build-time failures. Fine-grained methods that inject only a narrow subset of components exhibit limited effectiveness, while those that also use obfuscation rely on brittle bytecode rewriting, producing APKs that are syntactically valid but semantically unusable. Prior work further overestimates attack success rates by running smoke tests that only validate installation and basic execution, without assessing whether the modified APK still preserves its intended behavior. To overcome these limitations, we present DROIDBREAKER, a practical (build-safe) and functional (semantics-preserving) problem-space attack framework that provides: (i) query-efficient white- and black-box attacks by manipulating only the APK components most influential to the target model; (ii) a set of fine-grained, build-safe manipulations (including injection and obfuscation of API calls, app modules, permissions, and URLs) with minimal side effects; and (iii) a semantics-preserving functionality test that enforces runtime equivalence by comparing execution logs and API-level traces between the initial and the modified APK. Evaluated on a recent corpus of Android applications, DROIDBREAKER achieves high evasion rates with few queries and minimal side effects in both white-box and black-box settings, and drastically reduces detections by commercial malware scanners hosted on VirusTotal.
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All authors Christian Scano, Diego Soi, Angelo Sotgiu, Luca Demetrio, Davide Maiorca, Giorgio Giacinto, Fabio Roli, Battista Biggio
Machine Learning
Algorithmic Foundations of Deep Learning: Complexity-Theoretic Rates and a Characterization of Universal Approximation
Anastasis Kratsios, Simone Brugiapaglia, Bum Jun Kim et al. (+2 more)
Feedforward neural network (NN) expressivity is typically studied by emulating optimal basis-expansion schemes. While powerful, this perspective is incomplete: it primarily captures complexity through regularity, and therefore does not distinguish intuitively simple and complicated objects with comparable regularity, such as the square-root function and a typical Brownian path. The guiding message is that neural networks should be viewed not only as flexible basis functions, but also as models of computation. If a function is computable by a real-valued
circuit over a prescribed elementary gate
language, then it can be computed to comparable accuracy by an NN with explicit depth, width, and non-zero-parameter bounds controlled by the depth, width, gate count, and gate structure. Thus, neural-network complexity is not governed by regularity alone, but also by algorithmic complexity. We then show that any definable NN model satisfying a natural parallelization condition, allowing possibly multivariate non-linearities such as
attention or layer normalization, is a universal approximator if and only if it contains a non-affine nonlinearity. The scope of our theory is illustrated by deducing universal approximation guarantees for continuous functions, minimax-optimal approximation guarantees for Besov classes, logarithmic-error complexity for holomorphic functions, and by showing that NNs can emulate numerical
algorithms such as Newton-Raphson root finding and power iteration without architecture-specific arguments. Its precision is illustrated by shortest-path computation on $k$-vertex graphs: compiling the tropical dynamic-programming
circuit yields NNs with O(log(1/{\epsilon})) non-zero parameters, exponentially improving in 1/{\epsilon} over the generic $O({\epsilon}^{-c k^2})$ Lipschitz-approximation scale, for a constant c>0.
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All authors Anastasis Kratsios, Simone Brugiapaglia, Bum Jun Kim, Gregory Cousins, Haitz Sáez de Ocáriz Borde
Machine Learning · Cross-listed from cs.IR
Attributed, But Not Incremental: Cannibalization-Corrected Attribution for Large-Scale Advertising
Donghui Li, Bowen Yuan, Zili Yang et al. (+2 more)
In large-scale paid acquisition and growth advertising systems, production attribution outputs are widely used for daily budget allocation and channel diagnosis. However, paid-attributed conversions such as daily new users (DNU) may systematically overstate true incremental growth when paid channels overlap with organic demand, brand-driven traffic, or other acquisition channels. This attribution-cannibalization mismatch can distort incremental ROI measurement and budget decisions at scale. We propose an experiment-calibrated attribution correction framework that uses incrementality experiments as causal anchors to convert sparse lift measurements into daily correction estimates. To make the corrected signal actionable at production granularity, we further allocate calibrated cannibalization volume across business hierarchies under structural consistency constraints. Offline forward-in-time validation against channel-level incrementality experiment readouts shows that the proposed framework substantially reduces calibration error relative to raw attribution and fine-grained ML baselines. Deployed across multiple global TikTok
markets, the system supported budget and traffic strategy adjustments that were followed by an approximately 15-percentage-point reduction in the measured cannibalization rate.
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All authors Donghui Li, Bowen Yuan, Zili Yang, Qinxin Chen, Lijing Song
Machine Learning
PersistentKV: Page-Aware Decode Scheduling for Long-Context LLM Serving on Commodity GPUs
Muhammad Ahmed
Autoregressive large
language model (LLM) serving is increasingly limited by key-value (KV) cache movement rather than dense
matrix multiplication. Modern paged-
attention systems reduce fragmentation, and mature kernels like FlashInfer provide highly optimized decode
attention. However, the best single-kernel implementation is not always the best serving schedule: low-active long-context decode can under-utilize GPUs, while mixed sequence lengths introduce tension between many exact-length launches and coarse padded batches. We present PersistentKV, a native block-table decode
attention engine and page-aware scheduling study for grouped-query
attention (GQA). PersistentKV maps work by KV-head group, executes directly over native page tables, and adds a compact workqueue schedule executing only non-empty row-KV-head-sequence-split tasks. On an RTX 3060 (FP16, page size 16, Hq=32, Hkv=8, d=128), a calibrated roofline-style policy selects FlashInfer for small active batches, PersistentKV sequence splitting for batch size 1 (B1) long-context steps, and PersistentKV workqueue scheduling for supported B8 long-context GQA steps. With cost-model constants fixed on calibration traces, five held-out seeds improve mean wall decode-
token throughput by 1.04x to 1.08x on B8 bimodal, uniform, and Zipf-like workloads, and by 1.40x on a B1 bucketed trace. For the B4 boundary case and uncalibrated GQA ratios, the policy avoids regressions by routing to FlashInfer. We also report an
attention-plus-MLP timing proxy and workload counters showing workqueue scheduling reduces launch fan-out from 16.00 to 2.00 launches per step on held-out bimodal B8. These results show that work assignment is a decisive serving-system variable.
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Machine Learning
Zero-Shot Size Transfer for Neural ODEs on Sparse Random Graphs: Graphon Limits and Adjoint Convergence
Mingsong Yan, Zhida Wang and Sui Tang
Graph Neural Differential Equations (GNDEs) model continuous-time graph dynamics by parameterizing Neural ODE velocity fields with Graph Neural Networks. Their local, size-independent filters suggest a zero-shot size-transfer principle: train on a small graph and deploy on larger, similar graphs without retraining. We develop a quantitative theory for this principle on sparse random graphs sampled from graphons. We consider Graphon Neural Differential Equations (Graphon-NDEs) and adjoint Graphon-NDEs as the infinite-node limits of the forward and adjoint GNDE systems, and establish well-posedness. For an $n$-node random graph with sparsity parameter $\alpha_n$, we prove trajectory-wise convergence of GNDE solutions to Graphon-NDE solutions at rate $O((\alpha_n n)^{-1/2})$, up to logarithmic factors, with high probability. We also establish uniform-in-time convergence bounds for adjoint systems governing hidden-state and parameter gradients. We further study discretize-then-optimize (DTO) and optimize-then-discretize (OTD) training. Under explicit Euler discretization with $M$ steps, we show that DTO and OTD are asymptotically consistent, with hidden-state and local parameter-gradient discrepancies of orders $O(1/M)$ and $O(1/M^2)$, respectively, up to sparsity and logarithmic factors. Experiments on HSBM and tent graphons support the theoretical rates, while zero-shot transfer experiments across four graphon classes demonstrate accurate deployment of learned GNDEs on larger independently sampled graphs.
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Machine Learning · Cross-listed from hep-th
Generating Special Triangulations with Transformers
Charles Arnal, Jacky H. T. Yip, François Charton et al. (+1 more)
Triangulations, i.e., well-structured decompositions of
geometric objects into triangle-like pieces, are central objects in many domains of mathematics and physics. In particular, fine, regular, and
star triangulations (FRSTs) of 4D reflexive polytopes give rise to smooth Calabi-Yau threefolds, which are of significant interest in string theory. However, the high dimensionality and combinatorial complexity of triangulations make them particularly challenging to model with classical numerical methods or machine learning. In this work, we show that
transformers, equipped with an appropriate encoding scheme, can be effectively trained to representatively generate new FRSTs across a range of polytope sizes. Moreover, these models can also self-improve through retraining on their own output. This opens the door to both concrete applications to the classification of Calabi-Yau
manifolds and further research in physics, combinatorics and algebraic geometry.
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All authors Charles Arnal, Jacky H. T. Yip, François Charton, Gary Shiu
Machine Learning
Target-Aware Bandit Allocation for Scalable Surrogate Optimization in Chemical Space
Mohammad Haddadnia, Yuvan Chali, Abhilash Jayaraj et al. (+4 more)
Identifying high-utility candidates from massive discrete spaces under expensive evaluations is a recurring challenge across the sciences, with structure-based drug discovery as a prominent example. While surrogate-based optimization can increase sample efficiency by reducing the number of expensive evaluations, modern molecular libraries have reached billions to trillions of compounds, making full-library surrogate inference itself a major computational bottleneck. We introduce BOBa, a bandit-guided surrogate optimization framework that eliminates full-library inference by adaptively allocating computation across partitions of the action space. By treating partitions as arms in a multi-armed bandit, BOBa concentrates inference and evaluations on empirically promising partitions while maintaining principled exploration. Experiments on real-world synthesis-on-demand libraries demonstrate that optimism-under-uncertainty bandits, combined with meaningful action space partitioning, are essential for effective allocation of inference and evaluations. Our findings reveal a tunable tradeoff between screening performance and surrogate inference cost, which supports practical optimization over current libraries, and establishes a viable route to ultra-large library virtual screening.
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All authors Mohammad Haddadnia, Yuvan Chali, Abhilash Jayaraj, Constance Kraay, Joana Reis, Felix Strieth-Kalthoff, Haribabu Arthanari