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Tuesday 6 October

Machine Learning

ServeLearnBench: How Well Can Agents Self-Improve from Serving Experience?

Large language model agents are increasingly deployed to perform complex tasks in real-world environments. However, the knowledge required for correct behavior in these environments is often implicit, undisclosed, and subject to change over time. Recent continual-learning harnesses seek to address this challenge by enabling agents to improve from serving experience. Yet the effectiveness and limitations of these methods are not yet well characterized. Existing benchmarks provide only partial coverage: some explicitly provide the target knowledge, others assume a static environment, and those that support continual adaptation remain limited in scale and knowledge diversity. To enable systematic evaluation, we formalize an evolving-environment streaming dataset (EESD), in which agents must infer, apply, and revise latent environment knowledge from interaction and outcome feedback as hidden policies evolve, and introduce ServeLearnBench, spanning retail support, banking, and sales-pitch generation with 53 environment windows and 7,718 tasks. We evaluate five learning harnesses (RAG, Mem0, SkillOpt, Continual Harness, and Prime) across six models (GPT-5.6 Terra, Opus 5, Kimi K3, GLM-5.3, DeepSeek V4.1 Flash, and GLM-5.3 Flash), covering 28 model-harness pairs and 252 learning runs. Our evaluation reveals three main findings: a substantial gap remains between task capability and learning from experience; continual adaptation is costly and can degrade already-correct behavior; and insufficient exploration emerges as a key bottleneck to effective adaptation. Overall, ServeLearnBench provides a controlled testbed for diagnosing these limitations and tracking progress toward agents that continually and reliably improve through serving experience.
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All authors Haizhong Zheng, Yizhuo Di, Ranajoy Sadhukhan, Shuowei Jin, Beidi Chen

Machine Learning

Extending Pathwise Gradients to Discrete Random Variables via Finite-Order Relaxation

Pathwise gradients are preferred for continuous random variables because they are unbiased, low variance, and work with a single sample. For discrete variables, however, the pathwise identity cannot generally be exact for every differentiable function. We propose a general framework to construct finite-order exact pathwise gradient estimators for a range of common discrete variables such as Poisson. The estimator is the least-norm solution among all solutions that are unbiased for polynomials of degree at most. The resulting estimators preserve the hard forward sample, require no temperature tuning, and can be implemented in a few lines of codes. Against other admissible solutions, our estimator is unique and minimizes weight variance; in contrast, prior works use categorical variables or augmented representations to approximate non-categorical variables that induces excess variance and computations. To understand approximation bias for functions beyond the prescribed class, we also derive a non-asymptotic bias bound. In experiments our low order methods match or improve tuned baselines across linear, nonlinear and hierarchical latent-variable models, while out-speeding competitors in every runtime benchmark.
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Machine Learning · Cross-listed from cs.AI

Persistent Memory in Multi-Agent LLM Inference: What It Costs, What It Buys, and When You Can Tell

Decomposing long-context inference across cooperating agents bounds the active KV cache per call rather than total evidence, which matters when KV-cache memory binds. Many such systems add a persistent tier storing and recalling reasoning traces, usually validated by an ablation reporting an accuracy gain. We measure both on one three-tier agent architecture. Decomposition delivers: peak KV working set of 14.3 MiB per query against 35.5 and 35.3 MiB for single-pass and retrieval-augmented baselines. The persistent tier does not: across eight controlled dataset pairs at n=100 per arm it costs +0.368 MiB [+0.167, +0.590] of peak cache and produces no detectable accuracy change (+0.015, 95% CI [-0.011, +0.046]). We argue the null is structural: single-question benchmarks supply each item with its own evidence and score it independently, and correctness requires resetting stored traces between conditions, so recall has nothing informative to retrieve. Reaching it took four measurement corrections – three inflating the apparent benefit, the fourth making an effect that size look resolvable – none visible in the results table. We give the conditions an agent-memory ablation must satisfy and detection procedures that need no knowledge of the specific defect.
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All authors Hochan Son, Kyungdoe Han, Jaehan Koh, Xiaowu Dai, Wenlu Xu, Guang Cheng

Machine Learning · Cross-listed from cs.AI

Quantization Effects on Tool-Failure Recovery Vary Across Prompts and Evaluation Designs

Post-training quantization reduces the cost of deploying language-model agents, but its effect on recovery from temporary tool failures can depend on how recovery is evaluated. We compare 8-bit and 4-bit variants of Llama-3.1-8B-Instruct and Qwen2.5-7B-Instruct on twenty deterministic tool-use tasks and five prompts. The 8-bit-4-bit recovery comparison changes direction across prompts and evaluation targets. On tasks that both variants complete without faults under the same prompt, the difference ranges from 0 to +20.2 percentage points for Llama and from -50.0 to +35.0 points for Qwen. Full-pipeline point estimates favor 8-bit Llama under all five prompts, whereas the Qwen comparison changes direction across prompts. The evaluation target can also reverse the result. For Llama under one prompt, scoring each variant only on its own clean-passing tasks favors 4-bit by 17.5 points; scoring the same tasks for both variants gives no difference, while scoring the full pipeline favors 8-bit by 28.3 points. Executor leniency is a third such choice. Rescoring the same logs with strict output parsing, which 8-bit Llama violates far more often than 4-bit Llama under that prompt, turns that +28.3 into -15.0 while leaving Qwen essentially unchanged. These findings show that one prompt, one screened task set, and one scoring policy do not establish a stable conclusion about quantized-agent robustness. Evaluations should compare variants on matched tasks, report full-pipeline success for deployment decisions, state the scoring policy, and quantify uncertainty across tasks rather than injected fault sites.
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Machine Learning · Cross-listed from cs.CL

APEX: Speculate smarter, not deeper

Speculative decoding reduces large language model inference latency by drafting multiple tokens before target-model verification, but its effectiveness depends on both the proposal mechanism and draft depth. Fixed configurations cannot respond to changes in predictability, repetition, and acceptance during generation, so deeper drafting can increase wasted computation without proportional speedup. We introduce APEX, a learned controller that balances decoding speed and draft-token waste through request-level expert selection and block-level depth adaptation. APEX-Router selects among EAGLE-3, n-gram, and draft-model speculation for each request, while APEX-Depth adjusts draft length at each verification block using causal decoding signals and recent verifier feedback. APEX models accepted draft length as censored survival feedback, learning position-wise rejection hazards, block execution costs, and an action utility that balances throughput, accepted progress, and wasted tokens. This allows the controller to adapt speculation while retaining the target model's verification procedure. We integrate APEX into vLLM and evaluate it with Qwen3-8B across six workloads, achieving up to 5.24X speedup over autoregressive decoding. Across the aggregate evaluation, APEX-S achieves 4.27X speedup, while APEX-B achieves 3.27X speedup with a 41.0% relative reduction in wasted-token percentage compared with fixed n-gram speculation at k=16, providing distinct operating points for balancing acceleration and draft-token utilization.
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All authors Manvi Jha, Zach Zhang, Zhichao Xu, Linbo Liu, Sai Muralidhar Jayanthi, Vinayak Arannil

Machine Learning

Towards One-for-All Foundation Model for Attributed Graph Clustering

Attributed graph clustering aims to discover node groups by jointly exploiting node attributes and graph topology, yet its unsupervised nature makes model selection and adaptation inherently difficult. Existing methods typically train and tune a separate model for each input graph, leading to costly and fragile pipelines that often fail to transfer across graphs with different feature spaces, structural patterns, and attribute-structure correlations. In this paper, we study a one-for-all alternative: can a single model be trained once and directly applied to diverse attributed graphs without graph-specific training, fine-tuning, or hyperparameter search? We propose OFAG, a foundation model for attributed graph clustering. Building upon Prior-data Fitted Networks, OFAG learns a reusable clustering inference strategy from synthetic attributed graphs generated under broad priors over latent clusters, node attributes, and graph structures. To handle incompatible feature spaces across graphs, OFAG adopts a dimension-agnostic signal-wise graph encoder that treats each feature channel as a graph signal and models its response to shared graph filters. The model is trained with a hyperspherical clustering objective, producing clustering-friendly node representations in a single forward pass at inference time. On ten datasets, one frozen OFAG model achieves the best mean performance and average rank across NMI, ACC, ARI, and F1, while completing all ten datasets in 12.43 minutes total—over 6* faster than the second-fastest baseline and nearly 28* faster than the second-best on clustering quality. Our code and pretrained checkpoint are available at https://github.com/Cloudy1225/OFAG, allowing practitioners to directly apply OFAG to their own attributed graph datasets without additional training or tuning.
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All authors Yunhui Liu, Xudong Jin, Kang Zhang, Danshuo An, Yu Xing, Te Song, Jia Liu, Tieke He

Machine Learning

TRACE: Rollout-Guided Quantization-Aware Training for FP4 Reinforcement Learning of MoE Language Models

Reinforcement learning (RL) for post-training large language models (LLMs) incurs substantial computation and memory overhead during rollout generation, which motivates low-precision rollout for efficient RL training. However, existing FP4 RL methods suffer from a key limitation: they primarily optimize quantization accuracy on the training and rollout paths independently rather than directly reducing the discrepancy between the two quantized execution paths. In this work, we propose TRACE (Train-Rollout Quantization Alignment via Compact GuidancE), an FP4 quantization framework for RL training of Mixture-of-Experts (MoE) language models that addresses the limitation of existing FP4 RL methods. TRACE incorporates rollout-guided quantization-aware training that uses rollout-side quantization outcomes to guide training-side FP4 rounding decisions, directly reducing train-rollout discrepancy. Moreover, TRACE adopts an efficient quantization-information caching scheme that selectively retains mantissa and scale information from deeper layers to reduce the storage and communication overhead introduced by rollout guidance. We evaluate TRACE on four large-scale MoE language models across reasoning, coding, and long-horizon RL tasks. Our results demonstrate that TRACE enables joint FP4 weight/activation and FP4 KV-cache rollout with RL performance comparable to BF16 rollout, while achieving up to 5.4xrollout speedup and strong final FP4 performance compared with post-hoc FP4 quantization of BF16-trained policies.
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All authors Xin Wang, Hao Yu, Zhengyang Zhuge, Bochao Mao, Zheng Li, Junda Feng, Yuyan Luo, Yi Zhang, Yizhong Cao, Mi Zhang, Dayiheng Liu, Jianwei Zhang

Machine Learning · Cross-listed from stat.ML

Trustworthy Method Comparison with AI Judges: Estimation and Design under Order, Batch, and Aggregation Effects

Large language models (LLMs) are increasingly used as judges for automated AI evaluation. A common practice is to randomize prompt sequences and average the resulting scores, but its statistical validity remains unclear. We show that LLM evaluation mechanisms can be approximated by a class of Markov generalized linear mixed models (GLMMs), supported by out-of-sample predictions across three major commercial LLMs. Using a first-order Markov GLMM, we study leaderboard ranking and group comparison. For leaderboard ranking, randomize-and-average selection is consistent under a mild separation condition, and a Williams square design can improve efficiency when item qualities are close. For group comparison, naive averaging can yield inconsistent conclusions about differences in group-level quality because of the response model's nonlinearity. Empirical results further support the validity of the proposed model-based inference beyond the first-order theory, including settings with higher-order sequence memory. We illustrate the approach in an application where AI judges compare two graphical model estimation methods.
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Machine Learning

Adversarially Trained Linear Transformers Are Optimal Robust In-Context Learners for Gaussian Mixtures

Adversarial training is one of the most reliable defenses against adversarial attacks, but its high computational cost must generally be paid anew for each task. Robust foundation models offer a promising alternative: adversarially pretrain a model once and then transfer its robustness to downstream tasks through lightweight adaptation. However, a fundamental question remains open: can robustness acquired during pretraining transfer to unseen tasks without further adversarial training? In this study, we answer this question affirmatively. A single model adversarially pretrained at scale can achieve optimal robustness on new tasks without additional task-specific training. Specifically, we show that, for a family of Gaussian-mixture classification tasks, a sufficiently deep linear transformer adversarially trained across tasks can asymptotically attain the robust Bayes error on previously unseen tasks through in-context learning from clean demonstrations. By contrast, a standardly trained model cannot. We further analyze convergence under gradient flow, an accuracy–robustness trade-off, and demonstration complexity.
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Machine Learning · Cross-listed from stat.ML

High-dimensional online calibration from harmonic weights

We study the online calibration of multidimensional forecasts over an arbitrary convex set $Y\subseteq\mathbb{R}^d$ relative to an arbitrary error norm $\|\cdot\|_{L}$. For forecasting $d$ binary outcomes simultaneously ($Y=[0,1]^d$), we give the first algorithm that achieves $\varepsilon$-calibration in a number of rounds that is polynomial in $d$ for every fixed accuracy. It requires $d^{O(1/\varepsilon)}$ rounds, exponentially improving the dimension dependence of previous bounds. For multi-class forecasting ($Y=\Delta_d$), we obtain the same $d^{O(1/\varepsilon)}$ rate, improving the $d^{\widetilde{O}(1/\varepsilon^2)}$ bounds of Peng and Fishelson et al. Our algorithm is simple: on each round, it outputs a harmonically weighted distribution over harmonically smoothed past outcomes. The same algorithm works for every forecast set and norm. More generally, it achieves $\varepsilon$-calibration after $\exp(O(\gamma(Y,L)/\varepsilon))$ rounds, where $\gamma(Y,L)$ is a geometric parameter defined by a matrix discrepancy problem. The harmonic weights are motivated by the fact that the discrete Hilbert transform matrix achieves the optimal discrepancy up to a universal constant, simultaneously for every $L$. This optimality result may be of independent interest.
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Machine Learning

Cite What You Explore: Budget-Aware LLM Reasoning over Medical KGs with Verifiable Evidence

Post-discharge risk prediction from electronic health records (EHRs) is difficult because many dependencies that link discharge-time observations to downstream complications, such as comorbidity cascades and drug-disease interactions, are absent from the record. External medical knowledge graphs (KGs) can supply these missing dependencies, but tracing them demands three properties: KG exploration must remain cost-bounded, retrieved evidence must be differentiated by source quality, and the resulting rationale must be citable for retrospective review. Large language models (LLMs) can plan and verify over structured evidence, making them natural candidates for KG reasoning, but existing LLM-based methods do not satisfy these three properties jointly. In this paper, we propose BAR, a Budget-Aware LLM Reasoning framework over medical KGs with three contributions. First, BAR refines the raw KG into disease-specific evidence graphs whose edges carry support scores and provenance records, turning the KG into a quality-annotated reasoning space rather than a static feature source. Second, an LLM then reasons over this graph through a plan-navigate-verify loop that decomposes the question into steps, retrieves evidence under a patient-specific budget, and revises when verification fails. Third, a reasoning policy is trained with a reward that compares predictions with and without acquired evidence, combined with acquisition cost and citation-integrity terms. Across 8 diseases and 3 prediction horizons on MIMIC-III and MIMIC-IV, BAR improves AUPRC by 3.4 points over the strongest baseline, raises citation precision from 59.8% to 77.9%, and consumes only 62-65% of the budget cap.
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All authors Chen Chen, Dongjie Wang, Mei Liu, Zijun Yao

Machine Learning · Cross-listed from stat.ML

Nash Social Welfare for Multi Armed Bandits: Trajectory-wise Expected and High Probability Regret

We study fair multi-armed bandits under the Nash Social Welfare (NSW) objective, which measures performance via the geometric mean of accumulated rewards. Existing work defines Nash regret as $\mathrm{NR}_T = \mu^\star - (\prod_{t=1}^T \mathbb{E}\mu_{I_t})^{1/T}$, where $\mu_{I_t}$ is the mean reward of the recommended arm $I_t$ and $T$ is the horizon. Since it applies the geometric mean to per-round marginal expectations, it ignores the joint distribution of rewards across rounds, leaving the NSW fairness motivation unaddressed at the trajectory level. We propose trajectory-wise Nash regret $\widetilde{\mathrm{NR}}_T = \mu^\star - \mathbb{E}[(\prod_{t=1}^T \mu_{I_t})^{1/T}]$, which computes the geometric mean over complete sample paths before taking expectations, capturing NSW fairness more faithfully. By Jensen's inequality, $\widetilde{\mathrm{NR}}_T \geq \mathrm{NR}_T$, making it a strictly stronger metric. We also introduce high probability Nash regret $\widehat{\mathrm{NR}}_T = \mu^\star - (\prod_t \mu_{I_t})^{1/T}$, giving the first high probability regret bounds in fair bandits. Our two-phase algorithm, Round Robin Nash Confidence Bound (RR-NCB), combines round robin exploration with a Nash confidence bound index policy. We show $\widetilde{\mathrm{NR}}_T \leq \widetilde{\mathcal{O}}(\sqrt{k\log T/T})$ and, with probability $1-\delta$, $\widehat{\mathrm{NR}}_T \leq \widetilde{\mathcal{O}}(\sqrt{k\log(kT/\delta)/T})$, matching the optimal $\widetilde{\mathcal{O}}(\sqrt{k/T})$ rate despite the stronger metrics. Optimality follows from a lower bound via AM-GM and standard $k$-armed bandit minimax arguments. Simulations validate our theory.
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Machine Learning · Cross-listed from cs.IR

Learning to Retrieve via Reinforcement Learning in Embedding Space

Dense retrieval models are typically trained with contrastive objectives that learn effective representations but do not directly optimize retrieval metrics or downstream task performance. To address this problem, we introduce RELER (REinforcement LEarning for Retrieval), a reinforcement learning framework that enables existing embedding models to learn to retrieve directly in embedding space and align to task-specific rewards. We train RELER by sampling unit-length query and document embedding actions from von Mises-Fisher (vMF) distributions centered on normalized encoder outputs, scoring the resulting retrieval or downstream outcomes as rewards, and updating the encoder with REINFORCE using a leave-one-out baseline (RLOO). As exploration in the high-dimensional embedding space is prone to sampling noise, we further propose conditional-mean projection (CMP), which projects each sampled embedding onto the low-dimensional subspace spanned by its encoder output and the candidate embeddings it is compared against, reducing noise in the policy gradient while preserving its expectation. We evaluate RELER on BRIGHT, a benchmark with reasoning-intensive queries that remain challenging for existing embedding models. RELER consistently outperforms InfoNCE and LambdaLoss in average nDCG@10 when post-training BGE-M3 and Qwen3-Embedding backbones. We further evaluate downstream utility through retrieval-augmented generation (RAG), where we adapt only the query encoder while keeping the document index and generator fixed. Across seven QA datasets, jointly optimizing retrieval and answer rewards improves both average retrieval performance and answer quality in RAG.
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All authors Qi Liu, Fengming Liang, Yiqun Chen, Erhan Zhang, Jiaxin Mao

Machine Learning · Cross-listed from cs.CL

SanSi: A Looped Typed Decision Model for System 1.5 Thinking

Typed decision models answer a declared question without generating text: a decision head returns a probability for each of the declared options in a single forward pass. A single pass is fast, intuitive System 1 thinking. We study what lies between one pass and generated reasoning: looping, in which the same layers are recursively applied several times before one typed readout. Each loop lets the model revise its hidden state before it commits to an answer, without generating a token; we call this System 1.5 thinking. We propose SanSi, which turns a pre-trained looped language model into a typed decision model. The option probabilities are read after every loop, and every loop is trained with a proper scoring rule, so that one model serves every budget from one loop to eight in a single run. On 10,027 test decisions from 59 sources, SanSi reaches 72.0% accuracy: 13.5 points above a non-looped model of the same shape trained with the same recipe, 5.3 points above a newer non-looped model of its size, and 1.8 points below one with three times the parameters. On two depth-controlled tasks, loops extend the solvable depth beyond the depths seen in training, where the larger single-pass model fails. Used as the judge for policy optimization with reinforcement learning, without gold answers, SanSi raises the share of the generator's correct answers from 37% to 52%.
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Machine Learning · Cross-listed from cs.CR

The Model Plants the Trigger: Answer-Side Backdoor Attacks in Multi-Turn Large Language Models

Safety alignment in Large Language Models (LLMs) remains vulnerable to backdoor attacks. Existing LLM backdoors are almost all input-centric: activation depends on explicit trigger patterns in the user input, so modern guardrails are built to sanitize the input space. We challenge this assumption with a novel answer-side backdoor for multi-turn dialogue. Instead of inserting the trigger into the input, the adversary uses a benign first-turn prompt to naturally induce the model to generate a specific, seemingly innocuous word. Once merged into the dialogue history, this self-generated word becomes the trigger. When a later harmful query arrives, the model detects its own trigger and bypasses its safety refusal, while the user input stays perfectly clean. Across four LLMs, our attack reaches near-perfect Attack Success Rates, approaching 100% at only a 5% poisoning rate, while preserving general utility and clean-input safety, and it evades mainstream input-centric defenses. Representation-level analysis shows that the self-generated trigger consistently suppresses the model's refusal signal, exposing a critical blind spot in current LLM defenses.
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All authors Yibo Zhang, Tianrong Guan, Liang Lin, Puze Wang, Jin Wang, Qingsong Wen

Machine Learning · Cross-listed from math.ST

Exact Calibration and Sharp Risk Geometry for Volume-Sampled Ridge Regression

We study ridge regression from exactly $s$ distinct rows of a fixed design. Responses are fixed, and only the subset is random. The determinant law and selected ridge fit share one positive definite penalty. Established mean identities and exponential-family duality give the unique penalty that matches a prescribed full-data ridge fit in expectation. It exists exactly when $s$ exceeds the target's effective dimension. Our main result concerns centered covariance risk normalized by full-data penalized loss. For balanced signed coordinate replicas, a strict sector inequality gives the sharp risk and all maximizing responses at every budget from the dimension to one below the row count. This holds for any nonzero positive semidefinite query. With the target and query fixed, the maximizing response space is unchanged across these budgets. For general designs, we characterize attainment of a leave-one-out envelope. For existing real equiangular tight frames, flat row query energy characterizes when every nonzero residual response maximizes at two deletions. At three deletions, we give the sharp risk and complete maximizing space for isotropic queries, using unequal triangle weights. The balanced geometry yields a same-sample unbiased ridge–Horvitz–Thompson mixture with lower sharp risk and an exact mean-share improvement boundary. Under full recalibration after feature changes, we prove quadratic regret from searching the complete old maximizing space and a query-uniform bound on the mixture's risk gain. The strongest sector inequalities have exact computer-assisted proofs.
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Machine Learning · Cross-listed from cs.CV

RefRoute: Decoupling Conditioning Cost from References via Compact Residual Conditioning and Spatial Routing

Multi-reference image generation requires preserving the appearance of multiple subjects while composing them into a coherent scene. However, existing diffusion transformers commonly encode references as dense visual token grids and jointly process them with global attention, making conditioning increasingly expensive as the number and resolution of references grow. We present RefRoute, a framework that addresses both reference representation cost and attention overhead through two complementary mechanisms. Compact residual conditioning combines low-resolution latent tokens with lightweight residual features extracted from full-resolution pixels, reducing reference token counts while retaining fine-grained appearance cues. Condition routing and attention routing align reference tokens with their assigned target regions and restrict cross-reference interactions, while allowing selective reference access beyond region boundaries for scene integration. We further introduce RefRoute-Data for training many-reference generation models and ManyRef100, a benchmark spanning human, object, and mixed compositions with 10-17 references. After many-reference fine-tuning, RefRoute achieves an overall Weighted-Ref-VIEScore of 36.06 on ManyRef100, compared with 8.88 for FLUX.2-Klein-9B. Separate inference-cost evaluations show substantially slower latency growth as the reference count increases: at 16 references, our 50-step and 4-step configurations achieve $18.3\times$ and $14.2\times$ speedups over their corresponding FLUX baselines, respectively. These results establish compact reference representations and spatially routed attention as an effective approach to scalable many-reference image generation.
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Machine Learning · Cross-listed from stat.ML

Stability of Measure-to-Measure Transformers on Sub-Gaussian Data

Transformers have exhibited impressive empirical success across various domains, but their theoretical foundations remain less developed. This work constitutes a mathematical study of the measure-to-measure operators defined by transformers. We show that transformers map sub-Gaussian inputs to sub-Gaussian outputs; this ensures that taking arbitrary-length compositions of the softmax operator is well-defined. We then show that transformers are Hölder continuous with respect to the 1-Wasserstein distance on appropriate spaces of sub-Gaussian inputs. This allows us to establish estimates on the error propagation along a transformer between a sub-Gaussian input and its empirical approximation. We also study a mean-field analog of the cross-attention mechanism, which is an operator from a pair of probability measures to a single probability measure. We show that cross-attention exhibits different Hölder regularity and sample-complexity in its two input arguments. Last, we apply our results to deduce approximation guarantees for measure-to-measure transformers. Together, these results provide a firm stability and finite-sample theory for transformers on sub-Gaussian data.
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Machine Learning

Neuromotor Hierarchy Network: Physiological Inductive Biases for Robust Generalization in sEMG Decoding

Surface electromyography (sEMG) provides a wearable, noninvasive interface to neuromuscular activity for movement decoding and human-computer interaction. Population-scale decoding remains difficult because the relationship between sEMG and neuromuscular activity varies across users and sessions, while task-relevant dynamics span channels and multiple timescales. Learning waveform-to-output mappings from task labels leaves the distinction between recording variability and coordinated motor activity implicit. We introduce the Neuromotor Hierarchy Network (NHN), which learns a compact latent neuromotor state from task supervision to represent task-relevant neuromuscular coordination. NHN constructs this latent state through a hierarchy inspired by neuromotor organization. It adapts recording statistics while preserving relative intensity. Its spatiotemporal encoder uses parameter-efficient channel interactions and modulates features with multi-timescale history. The resulting features yield candidate activations of learned motor primitives, which are temporally integrated and continuously weighted to form the state. Theoretical analysis characterizes the efficiency, temporal behavior, and optimization of NHN's core mechanisms. We evaluate the architecture for both continuous hand-pose estimation on emg2pose and touch-typing recognition on emg2qwerty. On emg2pose, NHN reduces user-averaged angular error by 0.52% to 2.84% across all three generalization splits in both Regression and Tracking relative to Hadidi et al.'s best task-specific variants, using 48.42% to 48.51% fewer parameters. On emg2qwerty, NHN reduces beam-search character error rate by 19.40% zero-shot and 30.42% after fine-tuning relative to SplashNet-Upscale, using 65.86% fewer parameters. Physiology-guided inference of a latent neuromotor state supports parameter-efficient sEMG decoding.
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All authors He Wang, Hongyuan Qi, Zhaoxian Zhang, Jinbin Luo, Linyi He, Mehul Motani, Changsheng Wu

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

Mathematical Invariant-Enabled Topological Neural Networks for Molecular and Materials Property Prediction

Existing molecular and materials learning approaches often rely on a limited set of structural representations, which may capture only selected aspects of complex three-dimensional structure. Here, we introduce mathematical invariant-enabled topological neural networks (MITNNs), a framework that represents complex structures through multiple complementary mathematical views and integrates them with topological neural architectures. MITNNs combine multiscale invariants from topology, spectral theory, commutative algebra, differential geometry, and discrete curvature, capturing complementary structural information from the same system. Systematic invariant-subset, architecture-subset, and ensemble analyses show that predictive performance depends on how mathematical representations and neural architectures are paired, with selected combinations outperforming individual models and the aggregation of all available components. Across protein-ligand binding, metal-organic framework properties, mutation-induced protein solubility, and molecular toxicity prediction, MITNN consistently outperforms existing methods. These results establish MITNN as a mathematically multimodal framework for scientific machine learning.
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All authors Yiming Ren, Xiang Liu, Mustafa Hajij, Pietro Liò, Guo-Wei Wei

Machine Learning

WASD: Wasserstein-based Knowledge Distillation for Large Language Models

Autoregressive large language models (LLMs) have rapidly advanced in capability, but their increasing scale comes with substantial computational and memory costs at inference time. Knowledge distillation (KD) offers a practical solution by transferring knowledge from a large teacher model to a smaller student model via alignment of discrete probability distributions. However, existing KD methods for LLMs primarily rely on divergences that evaluate discrepancies through probability values at each vocabulary index, without explicitly leveraging token-level semantic information. We propose Wasserstein-based knowledge distillation (WASD) for LLMs, which incorporates token-level semantic information via the Wasserstein-based distance with a cost matrix derived from token embeddings. To ensure computational tractability, we adopt the Sinkhorn divergence and derive a gradient-equivalent objective that can be efficiently optimized without introducing additional networks. Experiments across multiple LLM families and scales show that WASD consistently improves distillation performance on diverse tasks, including instruction following, mathematical reasoning, and code generation. Our results highlight the importance of semantic information encoded in the token space for effective distribution alignment in LLM distillation. The implementation is publicly available at https://github.com/aailab-kaist/WASD .
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All authors Byeonghu Na, Donghyeok Shin, Yeongmin Kim, Mina Kang, Il-Chul Moon

Machine Learning · Cross-listed from cs.MA

Independent Multi-Agent Reinforcement Learning with Counterfactual Semantic-Social World Models

Fully decentralized multi-agent reinforcement learning (MARL), also referred to as independent learning, requires each agent to learn and act using only its local information and experience, without a centralized critic or inter-agent communication. Such a stringent information structure renders the conventional reward signal ambiguous. A poor return may result from an ineffective ego action, an incompatible teammate response, or an effective opponent response, yet scalar rewards alone do not reveal which explanation is responsible. We argue that agents can learn more effectively by prospectively comparing the consequences of candidate actions rather than diagnosing failures only from realized returns. We introduce CASTLE (Counterfactual Action-conditioned Semantic Tokens for Local Execution in Decentralized MARL), an offline-training, online-in-context guidance framework with two complementary world models. A Local Dynamics World Model, offline pre-trained over agents' local trajectories, summarizes the agent's local trajectory dynamics and partial observability, while a Semantic-Social World Model predicts compact short-horizon task and social consequences for each candidate ego action. The latter is trained from counterfactual simulator rollouts that expose plausible teammate and opponent responses to alternative actions taken from the same logged rollout state. During online learning and execution, both world models remain frozen and are queried by agents using only locally available information. Their prediction logits provide in-context guidance to an independent PPO policy. Across 30 matched seeds on Tag, Spread, and Adversary in the benchmark multi-particle environments, our proposed CASTLE achieves the highest mean final score among the evaluated methods, exceeding the strongest baseline on each task by 10.67, 6.46, and 0.33 normalized points, respectively.
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All authors Fernando Martinez, Tao Li, Yingdong Lu, Juntao Chen

Machine Learning

Improving Synthetic Data Generation for Argument Mining via Adversarial Reinforcement Learning

Argument Mining (AM) is fundamentally constrained by the scarcity of high-quality structure-annotated datasets. While LLMs have shown promise in synthetic data generation, producing synthetic AM data that is both structurally accurate and sufficiently diverse remains a challenging problem. To address this problem, we revisit synthetic data generation for AM from a new perspective and propose a novel adversarial reinforcement learning framework for data synthesis. The proposed framework jointly optimizes the generator and the discriminator in an adversarial loop, in which the generator produces structured AM instances, and the discriminator provides learning signals by distinguishing real data from synthetic candidates. This enables the generator to progressively improve both the structural accuracy of generated argument data while maintaining diversity through adversarial feedback. Extensive experiments demonstrate that the proposed framework consistently improves AM performance on three benchmark datasets in both full-data and low-resource settings, validating its effectiveness and scalability.
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All authors Zhijun Zhang, Qianlong Wang, Keyang Ding, Genan Dai, Bowen Zhang, Bin Liang, Ruifeng Xu, Yongsheng Liang

Machine Learning

Adaptive Model Inversion Attacks Generalize a Privacy-Robustness Tradeoff

In this paper, we show that standard evaluations of high-resolution Model Inversion Attacks (MIAs) significantly underestimate training-data privacy leakage. State-of-the-art privacy defenses, standard training techniques such as MixUp and Adversarial Training, and undefended models all leak training images at rates 1.16 to 6.59 times higher on FaceScrub under simple adaptive changes to the attack, with the largest increases among defenses reporting the strongest privacy. We further show that measured leakage depends on the feature basis of the external classifier used to evaluate reconstructions: for the same reconstructed images, an adversarially trained Inception evaluator identifies the targeted identity at different rates than the standard Inception evaluator. Our results suggest that standard MIA evaluation can mistake optimization and measurement failures for privacy. These underestimated leakage rates also concealed a broader relationship between privacy and adversarial robustness. Once we adapt the attack and vary the evaluator, reconstruction leakage closely tracks adversarial robustness across recent defenses and standard training regimes, suggesting that robustness provides an attack-agnostic proxy for reconstruction vulnerability that applies far more broadly than previously theorized. This raises an open question: can a practical defense reduce training-data reconstruction without paying a corresponding cost in adversarial robustness?
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Machine Learning

Exact-Solution Volume and Length Generalization in Transformers

Research on transformer expressivity shows whether a transformer is capable of solving a given task, but gives little indication of whether the solution, if learned, is generalizable to longer input lengths. We study this question through normalized exact-solution volume (NESV): the fraction of a bounded parameter region that achieves an exact solution on every input of length $n$. For fixed-width, single-layer transformers with $\log n$-scaled attention, we establish asymptotic bounds on NESV for four tasks: FIRST ($\Theta(1)$), MAJORITY ($\Theta(1/(n\log n))$), INDEX ($\Theta(1/n^3)$), and PARITY ($0$). These results are consistent with previous empirical results: the faster the exact-solution volume decays with input length, the harder it is to length-generalize on that task. Looking deeper into INDEX, our volume analysis reveals two error sources that grow with $n$. Consequently, we study a transformer model that would structurally eliminate one of the terms, theoretically improving the NESV bound to $\Theta(n^{-1})$, and empirically achieving 85% accuracy when tested at $10\times$ the training length, compared with the 60% accuracy of the original model. We conclude that volume analysis may be a useful approach to identify concrete sources of length sensitivity and thus provide insights into task-specific model refinements.
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Machine Learning · Cross-listed from cs.AR

CACHEFORGE: LLM-Guided End-to-End Generative Cache Replacement Policy for Performance and Hardware Efficiency

Modern cache replacement designs saturate because they operate within fixed representational structures, hand-crafted and heuristic based feature-engineered predictors, or offline imitation models that cannot generate new decision logic on their own. At the same time, replacement is shaped by the causal interaction of prefetching, thrashing, spatial locality, and access-type behavior, producing an enormous design space that is difficult to traverse manually. Prior approaches typically rely on heuristics, parameter tuning, or imitation of an offline optimal policy, capturing correlations rather than synthesizing new mechanisms. As a result, their performance gains often plateau and they overfit under dynamic workload conditions. CACHEFORGE is the first framework to evolve cache-replacement policies end-to-end by embedding a large language model inside a governed hardware-aware loop. In each iteration, the LLM proposes new C++ replacement logic, the policy is evaluated under a trace-based CRC-2 ChampSim simulator, and the framework enforces feasibility through reward shaping, structural checks, dynamic mutation, temperature scheduling, and cross-policy crossover. This closed-loop generation-evolution loop specifically designed for cache replacement policy enables the discovery of compact policies that satisfy hardware constraints while exploring algorithmic transformations beyond fixed predictor structures. Across SPEC CPU2006, CACHEFORGE outperforms all CRC-2 baselines. It improves the total hit rate by 27.36%, 19.69%, 13.72%, 13.15%, 11.83%, and 5.73% over MPPPB, ReD, Hawk-eye, SHiP++, LIME, and LRU, respectively. On memory-intensive workloads, it increases IPC by 10.15%, 7.89%, 6.34%, 3.64%, 3.12%, and 2.71% over LRU, MPPPB, LIME, ReD, SHiP++, and Hawkeye.
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All authors Kaushal Mhapsekar, Bita Aslrousta, Brijesh Kumar Bhayana, Paula Contreras, Azam Ghanbari, Ethan Goodman, Anna Andriiko, Samira Mirbagher Ajorpaz

Machine Learning · Cross-listed from cs.MA

Joint Workflow and Prompt Optimization for User Behavior Simulation

User behavior simulation is the computational modeling of user interactions within information systems through the use of simulated agents in place of live users. It supports system testing and evaluation, decision-making and forecasting, and user experience design. Existing simulators rely on hand-crafted rules or domain expertise that transfers poorly across tasks. SWORD (Simulation-driven Workflow and Prompt Optimization with Role-based Design) is introduced as a framework that jointly optimizes multi-agent workflow topology and natural-language prompts. It is guided solely by a scalar task metric, without domain initialization or task-specific engineering. The experimental results demonstrate that SWORD achieves statistically significant gains over prompt-only, workflow-only, and staged-optimization baselines under a controlled, identical-backbone comparison. Against the strongest published domain-specific baseline, SWORD further improves accuracy while using a smaller backbone model, substantially less training data, and a very reasonable API cost (\$4--\$6 for each dataset). Beyond predictive performance, SWORD autonomously discovers domain-relevant signals, review-sentiment mapping rules and epidemiological decay priors, purely from scalar error feedback, establishing textual gradients as a mechanism for unsupervised feature-importance discovery in user behavior modeling.
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All authors Nipun B Nair Tongtong Wu, Hongzhi Yin, Hui Li, Weiqing Wang

Machine Learning

MS-ECG-FM: Towards a More Universal Electrocardiogram Foundation Model for Health Monitoring using Multi-source Contrastive Learning

Electrocardiography (ECG) records the electrical activity of the heart, aiding diagnosis by detecting abnormalities in cardiac function. ECG foundation models have demonstrated promising results, but are limited by a reliance on ECG interpretation reports as their sole supervision. Because interpretation reports only capture the subset of waveform information routinely recognized by clinicians, this constrains representation learning to overlook the broader diagnostic signals present in ECG. We introduce a new ECG foundation model — MS-ECG-FM — that is trained through contrastive alignment to multiple distinct clinical note types, including ECG, echocardiography, radiology, and discharge reports. We evaluate MS-ECG-FM on an extended set of ECG detection benchmarks, showing that it comprehensively outperforms existing methods on the full span of conditions that ECG can detect, including in reduced-lead configurations. Different reports improve representations for different diagnostic domains, while multi-source alignment captures their complementary information and produces consistently strong representations across clinically diverse tasks.
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All authors Robert A. Lewis, I-Min Chiu, Kyle Verrier, Karthik Jayaraman Raghuram, Francoise Marvel, Salar Abbaspourazad, Anshuman Mishra, Guillermo Sapiro, Andrew C. Miller, Joseph Futoma

Machine Learning · Cross-listed from stat.ML

Uniform Discrete Diffusion Models are Minimax Optimal for Estimating Distributions with Small Effective Support Size

Discrete diffusion models have emerged as a practically successful framework for generative modeling on discrete product spaces, yet their statistical generalization properties remain poorly understood. Discrete real-world data such as text or biological sequences often concentrate on a small fraction of the astronomically large ambient space because of semantic or physical constraints, but existing bounds fail to capture this distributional structure and instead scale with the size of the ambient space, giving rise to almost vacuous error bounds. We address this gap for uniform discrete diffusion, one of the two dominant discrete diffusion paradigms alongside masking diffusion, by deriving statistical guarantees governed by the effective support size $s_n(P_0)$, a sample-size-dependent measure of distributional complexity. Given $n$ independent and identically distributed (i.i.d.) samples from an unknown data distribution $P_0$ on $[K]^d$, we show that, with appropriate choices of network size and hyperparameters, the expected total variation (TV) loss scales as $O(\sqrt{s_n(P_0)/n})$, while the expected Kullback–Leibler (KL) divergence is bounded by $O(\frac{1}{n}s_n(P_0)\log(eK^d/s_n(P_0))\log n)$. Furthermore, we show that the TV rate is minimax optimal and that the KL rate is minimax optimal up to a factor of $\log n$. Together, these upper and lower bounds show that uniform discrete diffusion successfully avoids the curse of dimensionality for distributions with small effective support size: the TV error rate depends on the ambient state-space size only through $s_n(P_0)$, while the corresponding KL rate incurs only an additional logarithmic dependence on the ambient state-space size.
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Machine Learning

Does On-Policy Distillation for Safety Pose Backdoor Risks?

On-policy distillation (OPD) has attracted growing attention as an effective way to transfer capabilities from teacher models to student models. Recent studies further explore OPD as a tool for improving large language model safety with promising results. However, these approaches typically assume that the teacher and training data are trustworthy. In this paper, we uncover an overlooked threat to OPD for safety: a safety-aligned but backdoored teacher can propagate its hidden malicious behavior to an initially clean student. Under our threat model, a poisoning rate as low as 3% results in an attack success rate (ASR) of up to 70% on the distilled student. We further identify two training choices that can amplify this risk. First, increasing the number of training epochs can lead to high ASR even at low poisoning rates. With only 10 poisoned samples, ASR reaches 67% after 16 epochs. Second, the commonly used top-k KL can accelerate backdoor transfer, causing trigger-conditioned harmful behavior to emerge earlier than sampled-token KL in most settings. Alongside these findings, we explore a simple mitigation, Lazy Defense, which clips KL rewards to make student updates less aggressive, limiting aggressive updates and slowing backdoor learning. Experiments show that Lazy Defense delays backdoor transfer in low poisoning rate settings. Together, our findings reveal that OPD can propagate backdoors, highlighting the need to address the safety risks of OPD.
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All authors Jian Luo, Kehan Qi, Qingqiao Hu, Meilong Xu, Jiacheng Qiu, Weimin Lyu, Jiawei Zhou, Chao Chen