Machine Learning · Cross-listed from cs.CL
Scaling Near-Optimal SFT-RL Annotation Budget Allocation from Small to Large LLMs
Jingtan Wang, Arun Verma, Xiaoqiang Lin et al. (+4 more)
How to divide a fixed annotation budget between supervised fine-tuning (SFT) and reinforcement learning (RL) during LLM post-training remains an open problem. Existing work characterizes only broad trends (e.g., SFT dominates in low-data regimes), lacks a principled allocation framework, and does not examine whether the optimal ratio transfers across model sizes. We frame this problem in terms of near-optimality: rather than seeking a single optimal SFT-RL ratio, we characterize the near-optimal region, the set of allocations within a specified tolerance of peak performance. Empirically, this region is wide even for small tolerances (2-10%), widens with model scale, and transfers reliably from small proxy models to large target models. This yields a practical strategy: small proxy-model experiments suffice to identify a transferable near-optimal region, eliminating the need for exhaustive large-scale search. Our results hold consistently across tasks, model families, and both preference-based off-policy and reward-supervision on-policy RL methods. We further analyze how the asymmetry in annotation costs between SFT and RL data shifts the near-optimal region.
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All authors Jingtan Wang, Arun Verma, Xiaoqiang Lin, Zhengyuan Liu, Nancy F. Chen, Daniela Rus, Bryan Kian Hsiang Low
Machine Learning · Cross-listed from cs.AI
Selective Agent Guidance via Entropy: Learning Autonomous Policies from Imperfect VLM Teachers
Giovanni Bonetta, Matteo Merler, Davide Zago et al. (+2 more)
Vision-
Language Models (VLMs) provide useful priors for interactive decision-making, but using them directly as policies is expensive and brittle: they must be queried at every step, do not improve from environment interaction, and can repeat systematic errors. We study how to learn a cheap autonomous policy from an online, expensive, and imperfect but informative VLM teacher. We propose SAGE (Selective
Agent Guidance via
Entropy), a framework that queries a VLM only when the learner is uncertain, executes the suggested action during training, and distills guidance into a lightweight Reinforcement Learning (RL) policy. Because VLM advice is not always reliable, SAGE can weight teacher-action
distillation using environment-derived advantages rather than treating all suggestions as equally useful. Across sparse-reward visual
reasoning and
navigation tasks, SAGE learns policies that act without VLM guidance at evaluation time and improves over unguided RL in several environments, including settings where the learned policy exceeds its VLM teacher. The results show that selective guidance is most beneficial when the VLM can help the
agent discover high-reward trajectories, and less useful when unguided exploration already succeeds or teacher actions do not lead to informative experience. SAGE also reduces VLM usage by prompting the teacher only on a fraction of training steps and requiring no VLM calls at deployment. Overall, our results suggest that VLMs don't need to be used as fixed policies to be useful; they can instead act as temporary, imperfect sources of guidance whose value is tested and internalized through interaction.
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All authors Giovanni Bonetta, Matteo Merler, Davide Zago, Rossella Cancelliere, Bernardo Magnini
Machine Learning
Gradient-Update Mismatch: Rethinking Conflict-Free Training of Physics-Informed Neural Networks
Jing Xiao, Xinhai Chen, Qinglin Wang et al. (+5 more)
Training Physics-Informed Neural Networks (PINNs) requires jointly optimizing physics residual and initial/boundary condition loss terms, which often induce conflicting gradients. Gradient surgery methods mitigate this issue by constructing directions from loss-specific gradients to reduce conflict before optimizer transformation. However, even when the constructed direction is conflict-free, this property may not be preserved after optimizer transformation. Let $a_t$ denote the direction constructed by gradient surgery, $u_t$ the optimizer proposal, and $\mathcal{C}_t$ the conflict-free cone induced by the loss-specific gradients. We show that modern optimizers can transform $a_t$ through mechanisms such as historical state, adaptive scaling, preconditioning, or decoupled weight decay, so $a_t \in \mathcal{C}_t$ does not generally imply $u_t \in \mathcal{C}_t$. We refer to this optimizer-induced discrepancy in conflict-freeness between $a_t$ and $u_t$ as Gradient-Update Mismatch (GUM). Accordingly, we propose Gradient-Update
Alignment (GUA), which projects $u_t$ onto $\mathcal{C}_t$ to obtain the aligned update $p_t$ and applies $p_t$ to the parameters. When the optimizer maintains internal state, GUA further adjusts this state toward targets reconstructed from the applied update. We conduct extensive experiments and find that GUM is widespread across momentum, adaptive, and
curvature-based optimizers, with conflict rates reaching up to 86.3%. Across all PINN settings, GUA achieves conflict-free applied updates and consistently improves various gradient surgery methods, reducing the relative $L_2$ error by up to 98.2% in individual settings. Data and code are available at https://github.com/JingXiao10/GUA.
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All authors Jing Xiao, Xinhai Chen, Qinglin Wang, Menghan Jia, Zhiquan Lai, Dongsheng Li, Jie Liu, Tiejun Li
Machine Learning
Retrieved but not ranked: surface-form bias in structural retrieval, from mathematics to agent trajectories
Nabira Rashid and Manolis Kellis
We evaluate
embedding retrieval where surface form and meaning are pulled apart on purpose: retrieving items that share underlying structure but not wording, in two unrelated domains under one protocol, competition mathematics (MathNet-Retrieve; 500 queries, 117,088-item corpus) and
embodied-
agent trajectories (ALFWorld-derived; 118 queries, 336 trajectories). In mathematics the failure is complete: strict Hit@1 at the heaviest disguise tier is 0.0% for both production embedders (bootstrap 95% CI [0.0, 0.0]) while the correct item sits in the top 10 nearly always, and in 95.2 to 99.8% of misses the winner is more lexically similar to the query than the correct answer. In trajectories, where surface variation is incidental, the same models land at or near hypergeometric chance when gold must involve a different object, and below chance for all three embedders once gold must differ in object and receptacle:
retrieval anchors on literal
tokens, not task structure. A lexical reranker control hurts in mathematics and helps in trajectories (closing 26 to 36% of the gap, CIs excluding zero); its sign reveals whether a
benchmark's surface variation is
adversarial or incidental. An LLM reranker recovers 5 to 63% of the gap in mathematics and 43 to 76% in trajectories; direction replicates across three judges (all 21
cells positive), but effect sizes, tier profiles, and the outlier judge change with domain (paired differences excluding zero everywhere). Mathematics gains concentrate on well-known competitions (+19.8 points, CI [+6.7, +33.2], one of six
cells), so part of the recovery is memorization. In a paired downstream experiment (210 queries, graders at 96 to 99% agreement), oracle
retrieval was indistinguishable from adversarially bad
retrieval (McNemar p = 0.678); the solver's 69.5% zero-shot accuracy is largely a truncation proxy (97 to 100% on finished answers), leaving no headroom.
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Machine Learning · Cross-listed from cs.AI
Can LLMs Discover Scientific Laws in Real and Parallel Worlds?
Yiming Huang, Ziche Liu, Junxia Cui et al. (+11 more)
Scientific law discovery has long been central to scientific progress, proceeding through iterative cycles of generating hypotheses, testing them against empirical evidence, and refining them under scientific constraints. As large
language models (LLMs) become increasingly involved in scientific research, whether they can discover scientific laws and how to evaluate this ability remain open questions. A central evaluation challenge is to move beyond familiar published equations while keeping discovery tasks grounded in scientific data and constraints. We introduce SciLaws-Bench, a curated collection of scientific task packages grounded in the source literature, each linking a scientific problem, supporting data, published reference equations, and scientific-validity rubrics. Through
agent-assisted curation and human verification, we assemble 118 problems spanning six disciplines, drawing on 381 papers, 291 candidate laws, and roughly 8M data points. Each problem supports two complementary evaluation settings. SciLaws-Real uses fixed scientific data to evaluate proposed laws for held-out predictive fit and scientific validity. SciLaws-Parallel evaluates recovery of a newly synthesized structural variant of a published equation through active queries to a simulator calibrated to the source data. Our evaluation reveals three limitations: good predictive fit need not imply scientific validity, recovering a published formula does not establish recovery of its new structural terms, and candidate selection remains a bottleneck in scientific law discovery. Project page: https://yiyihum.github.io/SciLaws-Bench
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All authors Yiming Huang, Ziche Liu, Junxia Cui, Zhuohang Wu, Yiqian Wang, Xinkai Zou, Lingjun Mao, Nan Huang, Naicheng Yu, Kaijie Zhu, Yue Ma, Kun Zhou, Letian Peng, Jingbo Shang
Machine Learning
Linear Reusable Neural Bases Architecture for Network Compression
Binshuai Wang, Peng Wei and Mahyar Ghazanfari
Memory constraints remain a critical bottleneck in the deployment of large-scale AI models. Parameter sharing across network depth reduces model storage, but repeatedly applying an identical transformation limits flexibility across layers. Inspired by time–
memory trade-offs in classical
algorithms, we introduce the Linear Reusable Neural Bases (LRNB) architecture, an RNN-based framework that improves parameter efficiency through parameter reuse at the
neuron level. Each feedforward residual module is represented as a linear combination of shared neural bases, with depth-specific learnable coefficients and optional shifts providing flexibility across layers. This formulation reduces parameter redundancy across depth and enables the construction of wider and deeper networks within a fixed parameter budget. We further provide a
geometric interpretation of the neural bases from a vector-field perspective and extend the framework to linear projection modules. Experiments demonstrate that the LRNB architecture achieves comparable or lower final training loss than independently parameterized baselines while using fewer parameters and maintaining stable training dynamics. These findings support
neuron-level reuse as a practical approach to parameter-efficient network design.
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Machine Learning
NashDreamer: Model-Based Reinforcement Learning for Zero-Sum Imperfect-Information Games
Tomáš Holeček and Viliam Lisý
Model-based reinforcement learning (MBRL) has achieved remarkable results in single-
agent domains, yet its extension to competitive imperfect information games (IIGs) remains underexplored. In multi-
agent settings, opponent-induced non-stationarity complicates the learning process, and decentralized model learning faces severe identifiability barriers, which we argue make centralized model learning a mathematical necessity. Building on this analysis, we propose NashDreamer, a principled MBRL framework for two-player zero-sum IIGs. It introduces a centralized Multi-
Agent Recurrent State-Space Model (MARSSM) that decouples environment dynamics from the effect of players' strategies on their individual observations. NashDreamer is designed to use arbitrary policy gradient
algorithms and inherits their convergence guarantees towards Nash
equilibria under an idealized model. Empirical evaluations across four
benchmark games demonstrate that NashDreamer substantially improves sample efficiency over model-free baselines early in the training. Finally, we theoretically analyze the architecture's optimization landscape, identifying the vulnerability of the Dreamer family of
algorithms to posterior collapse in
stochastic environments. We leave it as an open challenge.
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Machine Learning · Cross-listed from stat.ML
Variable Selection for Feature-Based Newsvendor
Zhaoliang Yuan and Jie Wang
Feature-based newsvendor models use observable
covariates to tailor inventory decisions, aiming to balance holding and shortage costs under demand uncertainty. However, high-dimensional feature sets often hinder interpretability and inflate data collection and implementation costs. This paper studies variable selection for the feature-based newsvendor problem under a hard cardinality constraint on the number of selected features. We formulate the resulting $\ell_0$-constrained empirical newsvendor problem with $\ell_2$-regularization, establish its computational hardness, and develop a mixed-integer second-order cone programming reformulation that strengthens the standard Big-$M$ formulation. To enable scalability beyond exact optimization, we develop a randomized-rounding
algorithm with a bi-criteria guarantee and a greedy heuristic. Statistically, we provide theoretical analysis of the resulting sparse policy
estimator, including finite-sample estimation error, out-of-sample risk bounds, and support recovery guarantees. Extensive experiments on both synthetic and real data illustrate the computational and statistical trade-offs among various baselines. Our results demonstrate that the proposed variable selection framework achieves competitive out-of-sample operational costs while using substantially fewer
covariates.
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Machine Learning
Quantum Sparse Autoencoders for Q-Matrix Estimation in Cognitive Diagnosis
Arif Hassan Zidan, Yi Pan, Bowen Guo et al. (+5 more)
Q-
matrices play a central role in cognitive diagnosis within educational data mining (EDM), specifying which latent skills each assessment item requires. Data-driven Q-
matrix estimation remains challenging when assessments involve many correlated skills and when real response patterns depart from idealized generative assumptions. We introduce a novel
quantum sparse autoencoder (QSAE) for Q-
matrix estimation, which, to the best of our knowledge, is the first application of
quantum machine learning (QML) to cognitive diagnosis. Overall, the QSAE embeds each student's binary response vector into a
quantum circuit using an encoder, compresses it into a sparse latent representation, and maps that representation to the Q-
matrix. We
benchmark the QSAE against a classical autoencoder (CAE) across 60 simulated
datasets and 9 real-world assessment
datasets. The results reveal complementary strengths. Although the CAE partially achieves higher average accuracy under several simulation conditions, the QSAE is substantially more stable across replications, exhibiting lower variance in 49 of the 60 conditions. Moreover, on real assessment data, the QSAE outperforms the CAE on 6 of the 9
datasets. These findings suggest that the principal advancement of QML in this setting is not universal accuracy improvement, but enhanced robustness and capability to explore latent-structure complexity in real
datasets.
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All authors Arif Hassan Zidan, Yi Pan, Bowen Guo, Xiang Li, Yu Bao, Yingfeng Wang, Tianming Liu, Wei Zhang
Machine Learning · Cross-listed from cs.CG
Sierpiński–Knopp Wasserstein Distance for Persistence Diagrams and Applications to 2-Wasserstein Approximation
Sebastien Tchitchek and Julien Tierny
This paper introduces the Sierpiński-Knopp (SK) Wasserstein distance, a fast metric between persistence diagrams. The SK-Wasserstein distance, denoted $d_{\mathrm{SK}}$, maps diagram points and their diagonal projections to the unit interval via the Sierpiński-Knopp space-filling curve on the upper diagonal triangle. The encoded point sets are then efficiently matched via one-dimensional optimal assignment, in \(O(N\log N)\) steps, yielding an explicit diagonal-aware point assignment between the two input persistence diagrams. We show that the SK-Wasserstein distance controls the classical \(2\)-Wasserstein distance between diagrams, admits an explicit isometric
embedding into a
Hilbert space, and induces a positive-definite Gaussian kernel, making the resulting geometry directly compatible with Euclidean and kernel-based learning methods. A tighter surrogate dissimilarity, noted \(W_\Gamma\), is also introduced based on the point assignments along the curve. Experiments on 12 scientific collections comprising 227 diagrams show median per-collection speedup of \(d_{\mathrm{SK}}\) over state-of-the-art approximations of \(W_2\) is \(626\times\), while the aggregate speedup over the full
benchmark is \(2100\times\). Average-linkage partitions obtained from \(d_{\mathrm{SK}}\) and \(W_\Gamma\) each exactly match the corresponding \(W_2\) partition on 8 of the 12 collections.
Hilbert \(k\)-means and Gaussian spectral clustering, both based on \(d_{\mathrm{SK}}\), achieve mean adjusted Rand indices (ARI) of \(0.756\) and \(0.800\), respectively, with respect to the
benchmark reference partitions, compared to \(0.750\) obtained by average linkage on \(W_2\). The Gaussian \(d_{\mathrm{SK}}\) kernel supports other kernel-based analysis tasks, as illustrated by its use for contiguous
segmentation of ordered diagram collections in our experiments.
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Machine Learning
LatentPress: Context Compression Beyond Text and Vision
Yuanda Xu, Zhengze Zhou, Hejian Sang et al. (+3 more)
Compressed context is usually carried as human-readable text or as rendered images that must be decoded, even when its consumer is a
language model. We introduce LatentPress, which writes conversational histories and long documents into a third representation: continuous
memory tokens that a frozen decoder reads directly through its input-
embedding interface, with no text reconstruction at inference. A small reader-matched writer compresses $4$-$16\times$ while training only an adapter (4.2M-26.2M parameters, $\sim\!0.1\%$ of the decoder). On LongMemEval, LatentPress reaches $0.504$ accuracy at $7.70\times$ compression versus $0.490$ for uncompressed evidence, outperforming text summaries (0.184) and OCR-based compression (0.426 to 0.312). On LongBench-QA, in-domain writers match or exceed raw-context reading at $4$-$8\times$ compression, while $16\times$ trails raw. Writing takes 43ms per conversation, roughly an order of magnitude faster than text summarization or OCR reconstruction, and reading is $5$-$9\times$ faster than raw context or cached OCR. We validate the interface under two transfer settings, zero-shot from UltraChat to LongMemEval
memory QA and from LongMemEval-derived QA to unseen LongBench document domains, establishing direct soft
tokens as a practical machine-facing context interface beyond text and
vision. The implementation of the experiments could be found at: https://github.com/HJSang/LatentPress.
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All authors Yuanda Xu, Zhengze Zhou, Hejian Sang, Xinchen Du, Baiyang Dai, Sen Na
Machine Learning
Optimizing Byzantine Node Placement in Decentralized Federated Learning
Edoardo Gabrielli and Gabriele Tolomei
Security evaluations of decentralized
federated learning (DFL) typically focus on how Byzantine participants behave, while largely overlooking which participants are compromised. Yet, because aggregation is distributed over a communication graph, the placement of Byzantine nodes determines how malicious influence propagates through the network. We therefore treat Byzantine placement as an explicit
adversarial decision and formulate the attacker's objective as selecting, under a fixed compromise budget, the set of participants that maximizes its finite-time impact on honest nodes. To approximate this objective without executing the learning process for every candidate placement, we introduce Byzantine Placement Influence (BPI), a set-level measure derived from the actual gossip dynamics that quantifies the cumulative exposure of honest nodes to Byzantine sources over the training horizon. Unlike placement criteria based on node centrality heuristics, BPI directly accounts for weighted multi-hop propagation and interactions among compromised nodes. We develop efficient
algorithms for optimizing BPI and evaluate them across six heterogeneous graph families, untargeted model poisoning, and
backdoor attacks. BPI-guided placements consistently identify highly damaging configurations across different network structures and remain effective when the linear gossip assumption is relaxed through Byzantine-robust aggregation. Our results show that Byzantine placement is a critical but under-modeled dimension of DFL threat models and robustness evaluations.
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Machine Learning
Rethinking Learnability in Offline Data-driven Optimization
Chao Qian, Chen-Guang Wang, Rong-Xi Tan et al. (+1 more)
Black-Box Optimization (BBO) has broad applications, while traditional
algorithms such as evolutionary
algorithms and
Bayesian optimization face efficiency challenges as real-world BBO problems grow increasingly complex. Data-driven optimization has been the most popular paradigm to improve the efficiency of BBO, by learning from data. Offline data-driven optimization seeks high-quality solutions using only a fixed set of previous evaluations, attracting substantial
attention because it requires no additional online evaluations. Many offline optimization methods have been proposed, but a fundamental question remains unanswered: what learnability is sufficient for offline optimization? Prior theoretical studies show that Probably Approximately Correct (PAC) learnability is insufficient, as the optimal region may remain poorly learned even when most regions are well learned. In this paper, we propose
algorithm-dependent learnability, which requires accuracy only on the optimizer's trajectory. We prove that its value-query form is sufficient for representative discrete settings, including greedy and local search for submodular maximization, while its first-order analogue is sufficient for projected gradient descent on convex minimization. Motivated by this notion, we formalize a trajectory-learning framework comprising trajectory construction, trajectory modeling, and candidate generation, and analyze existing trajectory-based methods under it. We further propose Uncertainty-aware Gradient-guided Trajectory Learning (UGTL), which constructs locally coherent improvement trajectories reflecting plausible search paths, models them with conditional
diffusion, and selects a diverse candidate set. Our experiments show that UGTL achieves the best average rank, 3.1/25, among 25 methods on Design-Bench tasks, and confirm that our trajectory construction plays a significant role in the improvement.
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All authors Chao Qian, Chen-Guang Wang, Rong-Xi Tan, Ke Xue
Machine Learning · Cross-listed from cs.RO
Does Imitation Learning Preserve Temporal Robustness in Dexterous Manipulation? An Expert-Learner Comparison Across Task Execution Speeds
Clinton Enwerem, John S. Baras and Calin Belta
Dexterous manipulation policies learned by imitation are typically evaluated for robustness to variation in scenes, objects, or instructions, but their performance across task execution speeds is less often examined. This leaves open how much temporal robustness a learner retains relative to the expert it imitates. We compare an expert and learner under the same task conditions, initial-condition draws, and speedup factors. We instantiate the evaluation in ParcelStow, a contact-rich task in which the
robot acquires, reorients, and inserts a parcel. The demonstrations span the speedup range for the manipulation phases after parcel acquisition. A scripted expert and an Action Chunking with
Transformers (ACT) policy trained from the expert's demonstrations both achieve 100 percent task success at nominal speed. Their success rates diverge within the demonstrated range: at its maximum, expert success is 84 percent and ACT success is 53 percent. Two ACT policies with different parameter initializations show similar degradation, decreasing by 34 and 48 percentage points from nominal speed to the maximum demonstrated speed, compared with 16 points for the expert. Stage-level analysis shows that 35 of ACT's 47 failures at the maximum demonstrated speed are insertion misalignments. Under the relative-motion handoff, every ACT acquisition retains the parcel through reorientation and transfer in free space, but only 64 percent complete the overall task, compared with 95 percent after expert acquisition. Across all evaluated policies and speeds, none of the 414 acquisitions without force closure completes the task. Equal nominal task success therefore does not imply preservation of expert performance across execution speeds. Code, data, and evaluation scripts are available at https://github.com/coenwerem/parcelstow.
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Machine Learning
Diffusion as a Training Curriculum for Timestep-Free Iterative Reasoning
Mariia Drozdova, Aidan Sirbu, Pietro Miotti et al. (+4 more)
Diffusion models and recursive reasoners are both iterative, but they carry information across iterations differently. We add a persistent hidden state to a
diffusion denoiser and remove its timestep conditioning, leaving a single shared update that can be run to arbitrary depth. The result is an anytime solver: accuracy keeps improving with inference depth far beyond the rollout lengths and backpropagation window used in training, reaching 99.90% exact solve on Sudoku-Extreme. We also obtain 98.93% solve rate on Maze-Unique. Surprisingly, progressive denoising is unnecessary at inference: holding corruption at its maximum by replacing every non-clue variable with fresh Gaussian noise at each step retains near-perfect solving and converges to stable solutions. This simple noise-injection mechanism enables a single trajectory to efficiently explore the solution space and settle on the correct answer without parallel rollouts, candidate selection, or external verifiers required by prior
reasoning models. Nonetheless, ordered annealed corruption remains critical during training, which suggests that
diffusion's primary contribution to our anytime solver is not a sampling procedure at inference, but a denoising training curriculum.
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All authors Mariia Drozdova, Aidan Sirbu, Pietro Miotti, Robert Obryk, Mayalen Etcheverry, Eyvind Niklasson, Blake Richards
Machine Learning
Edge-Girth as a Structural Edge Feature for Graph Neural Networks
Lilian Marey and Charlotte Laclau
Graph neural networks (GNN) based on message passing are provably no more powerful than the one-dimensional Weisfeiler–Leman colour-refinement test (1-WL): two graphs it cannot tell apart receive identical representations, however deep or wide the network. A common remedy augments node or edge features with precomputed structural descriptors, most often counts of a fixed small subgraph such as triangles or longer cycles, but such counts require committing in advance to the size of the substructure counted, a choice usually made blind to the data. We study a descriptor that avoids this choice. The edge-girth of an edge is the length of a shortest cycle through it, and its multiplicity is the number of such shortest cycles; together they form a per-edge invariant that reports cycles of arbitrary length, computable exactly by a single breadth-first search per edge. Injected into a gated message-passing architecture, EGAGNN, it reaches a test MAE a factor three below the closest gated comparator on the ZINC-12k regression
benchmark at 104k parameters; against bounded cycle-counting descriptors under the same architecture, it matches only a dictionary counting cycles up to length eight, using twice as many channels, while a dictionary capped at length four performs no better than no structural information at all. On graph discrimination we prove a matching limitation: on graphs where every edge sees the same number of shortest cycles of the same length, the descriptor becomes constant and any model built on it collapses back to the 1-WL bound. This holds without exception across all 400 pairs of the BREC
benchmark: not one of the 90 such pairs is distinguished.
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Machine Learning
Efficiently Estimating Optimal Hyperparameter Scaling Laws through Power-Law Entropy Search
Zhiliang Chen, Sebastian Ament, David Eriksson et al. (+4 more)
Optimal hyperparameter scaling laws describe how the best hyperparameters for large
language model (LLM) training change with model and data scale, enabling practitioners to predict optimal configurations at production scales without expensive large-scale tuning. However, estimating these scaling laws conventionally requires exhaustive grid searches over thousands of training runs, consuming enormous computational resources. We introduce Power-Law
Entropy Search (PLES), a computational cost-aware acquisition function built on multi-fidelity
Bayesian optimization that efficiently estimates optimal hyperparameter scaling laws through adaptive experimentation. A key innovation in PLES is that it searches for candidates that reduce the overall uncertainty of a scaling law estimate, instead of optimizing a single objective function. At each iteration, PLES selects the candidate configuration that maximally reduces the uncertainty of the scaling law estimates per unit computational cost, naturally favoring informative small-scale experiments. We evaluate PLES on synthetic
benchmarks, surrogate models fitted to real LLM training data, and actual LLM pre-training runs. Across all settings, PLES converges to accurate optimal hyperparameter scaling laws using less than one-tenth of the computational budget required by conventional grid search and other baselines.
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All authors Zhiliang Chen, Sebastian Ament, David Eriksson, Maximilian Balandat, Bryan Kian Hsiang Low, Eytan Bakshy, Jihao Andreas Lin
Machine Learning
Learning Sparse Decision Trees via Transformer Variational Auto-Encoders
Giacomo Fidone, Alessio Cascione and Riccardo Guidotti
Decision trees are among the most widely used models in machine learning, largely due to their transparent decision logic, making them well-suited for high-stakes decision-making contexts. However, most existing learning
algorithms focus on predictive performance, overlooking the joint optimization of other desirable properties, such as structural sparsity. In this work we propose TREVIS, an approach for learning decision trees with respect to complex objectives, based on the exploration of the latent space of a Tree
Transformer Variational Auto-Encoder (TTVAE). By mapping decision trees onto latent representations, TREVIS replaces the discrete search space with a continuous one, enabling gradient-based optimization via a differentiable surrogate model. We experiment with TREVIS for learning decision trees that jointly optimize predictive performance and sparsity. Results show that TREVIS discovers decision trees matching the predictive performance of existing near-optimal
algorithms while improving their structural sparsity.
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Machine Learning
TRIAGE: Three-level Routing and Intelligent Agent Guidance for Efficient Execution
Ruocan Wei
Large
Language Model (LLM)
agents based on the ReAct paradigm have demonstrated remarkable capabilities in tool use and task execution. However, ReAct suffers from a fundamental efficiency problem: every query triggers a complete
reasoning loop from scratch, and similar queries repeat identical steps without leveraging historical experience. We propose TRIAGE,a three-level routing framework that reduces
token consumption by reusing historical execution trajectories. Its core innovation is TaaS (Trajectory-as-a-Skill), which abstracts historical execution trajectories into reusable skills, realizing 'experience as a service'. TRIAGE classifies queries into three levels: (1) Direct Reuse-identical queries, 0
tokens; (2) Skill Substitution-similar queries, 0
tokens via deterministic parameter substitution; (3) Full ReAct-novel queries, automatically stored for future reuse. In large-scale experiments on 1,007 security monitoring queries, TRIAGE achieves 62.3%
token savings, with 56.0% of queries at Level 2 and 5.5% at Level 1, both executing at zero cost. Cross-domain validation on ToolBench (15 domains, 345 queries) achieves 76.3%
token reduction, confirming the generalizability of semantic routing. An online learning experiment demonstrates cold-start-to-mature
evolution: the L2 hit rate rises from 0% to 57% within the first 100 queries, and the average
token cost drops from 198 to 74.7. We also propose an automatic Skill extraction mechanism that distills high-frequency trajectory patterns into deterministic Skills, creating a positive feedback loop of 'the more you use it, the more efficient it becomes'.
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Machine Learning · Cross-listed from cs.CV
Semantic-Guided Multimodal Preprocessing for Vision Transformer-Based Clear Cell Renal Cell Carcinoma Grading
Fatemeh Javadian, Zhu Chen, Zahra Aminparast et al. (+1 more)
Clear
cell renal
cell carcinoma (CCRCC) grading is essential for treatment planning, yet existing approaches either analyze patch-level images directly or focus solely on
nuclei-level classification, without linking to final tumor grading. We propose a semantic-guided
multimodal preprocessing method that integrates
nuclei classification maps from existing pre-trained models with RGB histopathology images for
Vision Transformer (ViT)-based CCRCC grading. Our approach employs classification map channel concatenation and multiplicative modulation, with optimized overlays to leverage
nuclei grading information, while preserving RGB textural features. Evaluation of multiple preprocessing strategies demonstrates that semantic-guided enhancement achieves 0.916 balanced accuracy, outperforming RGB-only baseline (0.707) and max-voting aggregation from prior studies (0.427). Sensitivity analysis reveals that this 21 percentage point improvement over baseline persists even under simulated perturbation at rates matching current state-of-the-art
nuclei classification model error thresholds, suggesting both effective semantic utilization and practical robustness. These findings show that preprocessing-based
multimodal fusion can leverage the diagnostic potential of existing imperfect
nuclei classifiers, effectively bridging previously isolated fine-grained
nuclear-level analysis with coarse-grained ViT-based patch classification. Per-class recall was consistent across grades (0.93, 0.91, 0.91), indicating that gains are not concentrated in the majority class. Because the sensitivity analysis perturbs ground-truth maps rather than predictions from an actual
nuclei model, this result characterizes robustness under simulated error rather than deployment with a real upstream model, which remains for future work.
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All authors Fatemeh Javadian, Zhu Chen, Zahra Aminparast, Johannes Stegmaier
Machine Learning
CATeye: Coupled Attribute-Topology Invariance Learning for Voucher Abuse Detection
Tian Tian, Shuaicheng Niu, Hao Kuang et al. (+3 more)
Voucher abuse poses a major challenge in e-commerce, where malicious users exploit promotional vouchers for profit. Unfortunately, fraud patterns evolve rapidly over time and across regions, causing distribution shifts that degrade existing detection models unless retrained frequently. To tackle this, we propose the Coupled Attribute-
Topology Invariance Learning framework (CATeye). The key challenge arises from coupled attribute-
topology shift, where edges built from attribute proximity cause environment-driven attribute shift to induce shifted
topology, thereby amplifying variant signals through GNN message passing. CATeye sees through such coupled shifts with two learnable selectors. First, an Attribute Invariance Selector (AIS) learns node-adaptive masks to filter out non-invariant attributes. Then, conditioned on retained invariant attributes, an Edge Invariance Selector (EIS) samples an invariant subgraph and isolates non-invariant edges. Using the resulting invariant and non-invariant components, CATeye constructs multiple views and applies view-specific objectives to emphasize domain-invariant representations while suppressing domain-specific variations. Experiments on both a proprietary
dataset from Lazada, a major Southeast Asian e-commerce platform, and a public
benchmark show that CATeye consistently outperforms nine strong domain generalization and graph anomaly detection baselines, achieving up to an 8.61% improvement in average F1 score over the strongest baseline. Source code is publicly available at https://github.com/Tian0426/CATeye.
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All authors Tian Tian, Shuaicheng Niu, Hao Kuang, Yuanhang Hu, Dong Li, Zhiqi Shen
Machine Learning
Provably Safe Sim-to-Real Transfer
Tingting Ni and Maryam Kamgarpour
We address safe sim-to-real transfer, in which an
agent leverages an imperfect simulator and limited real-world interaction while ensuring safety throughout data collection in the real system. This problem arises in applications such as robotics and healthcare: simulators provide cheap data, but sim-to-real mismatch makes direct transfer unreliable, and collecting real-world data to correct this mismatch must itself be safe. Moreover, deployment objectives may vary across tasks, making it costly to collect new data for each reward function. We therefore formulate safe sim-to-real transfer as a reward-free safe reinforcement learning (RL) problem, in which data are collected once and reused to plan for arbitrary reward functions. We develop a computationally efficient
algorithm that identifies where the simulator and real dynamics differ, uses certified simulator transitions where they are reliable, and estimates mismatched transitions from safely collected data. With high probability, every policy deployed during learning is feasible, and the collected data support the computation of a feasible and near-optimal policy for any reward function. When the simulator is uninformative, our
algorithm recovers online reward-free safe RL while improving the best-known sample complexity by a factor of \(\widetilde{\Theta}(H/\xi^2)\), where \(\xi\) is the safety margin of a baseline policy. When the simulator is accurate on most transitions, this improvement grows to \(\widetilde{\Theta}(H^2|\mc S||\mc A|/(\xi^2|\mc B|))\), where \(|\mc B|\) denotes the size of the sim-to-real mismatch region.
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Machine Learning
Predicting Subsurface Abnormalities Growth using Physics-Informed Neural Networks
Mehrdad Shafiei Dizaji and Hoda Azari
The research explores the pioneering integration of Physics-Informed Neural Networks (PINNs) into the domain of Ground-Penetrating Radar (GPR) data prediction. This research presents a detailed development framework for a specialized PINN model, proficient at interpreting and
forecasting GPR data, much like how medical imaging models predict tumor behavior. By harnessing the synergy between deep learning
algorithms and the physical laws governing subsurface structures or in medical terms, human tissues the model effectively embeds the physics of electromagnetic wave propagation into its architecture. This ensures that predictions not only align with fundamental physical principles but also mirror the precision needed in medical diagnostics for detecting and monitoring tumors. The suggested deep learning structure comprises three components: a CNN, a spatial feature channel
attention (SFCA) mechanism, and ConvLSTM, along with temporal feature frame
attention (TFFA) modules. The
attention mechanism computes channel
attention and temporal
attention weights using self-adaptation, thereby fine tuning the visual and temporal feature responses to extract the most pertinent and significant visual and temporal features. By integrating physics directly into the neural network, our model has shown enhanced accuracy in
forecasting GPR data. This improvement is vital for conducting effective assessments of bridge deck conditions and other evaluations related to civil infrastructure. The use of Physics Informed Neural Networks (PINNs) has demonstrated the potential to transform the field of Non-Destructive Evaluation (NDE) by enhancing the precision of infrastructure deterioration predictions. Moreover, it offers a deeper insight into the fundamental mechanisms of deterioration, viewed through the prism of physics-based models.
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Machine Learning · Cross-listed from stat.ML
On the Reliability of Generative Augmentation: A Wasserstein-Based Theoretical and Empirical Study
Chathurika S Abeykoon, Mathias Nthiani Muia and Mallory Goldstein
Generative data augmentation is widely used to mitigate class imbalance, yet its theoretical effect on downstream generalization remains poorly understood. In this work, we develop a statistical framework for conditional generative augmentation and analyze its impact on classification risk. We formalize augmentation as a distribution-mixing process and show that the resulting risk distortion is controlled by both the augmentation strength and the class-conditional Wasserstein discrepancy between real and generated distributions. We further derive a capacity-dependent generalization bound based on Rademacher complexity, revealing an explicit trade-off between hypothesis complexity, augmentation intensity, and generative fidelity. Empirically, we evaluate the framework on binary and multiclass imbalanced classification tasks using Conditional GAN and Conditional WGAN-GP augmentation. Across
datasets, CWGAN-GP consistently achieves lower Wasserstein discrepancies than CGAN, indicating improved distributional fidelity. However, improved fidelity does not necessarily translate into superior classification performance, with classical oversampling methods often remaining competitive. These findings support the central theoretical prediction that augmentation reliability is governed by distributional approximation error rather than predictive performance alone. Overall, this work establishes generative augmentation as a distributional perturbation process whose reliability can be quantified through Wasserstein-based measures and supported by finite-sample generalization guarantees. The proposed framework provides a principled foundation for evaluating synthetic data quality beyond classification accuracy alone.
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Machine Learning
Contribution-Aware Bandwidth Allocation for Multimodal Split Learning
Iason Ofeidis and Leandros Tassiulas
Multimodal models are increasingly the default option for perception at the network edge, yet they are trained almost entirely in the datacenter, because a client holding several sensor streams cannot host an encoder per modality. Split Learning makes such training feasible by keeping only the first layers on the device, at the cost of an uplink that must carry smashed activations for every modality at every step. Existing compression schemes give each modality the same keep-ratio, so the shared budget is divided in proportion to smashed-activation dimension, a quantity unrelated to how much each modality contributes to the fused prediction. We make that division an explicit decision and call it inter-modality allocation: under a fixed uplink budget, every policy transmits the same expected payload and differs only in how that payload is split across modalities. Our allocator, ModalShare, sets each modality's keep-ratio from a Shapley contribution score that the server computes over coalitions of activations it has already received. Measuring this score adds no uplink traffic and no client-side computation, and needs no prior knowledge of which stream is which. ModalShare improves accuracy over equal keep-ratios by 15.4 and 12.4 percentage points on CREMA-D and MVSA at matched payload in 5x compression, with strong performance across three compressors, three
datasets, and four budgets. We show that existing compressors underperform in
multimodal settings, with ModalShare recovering what gains are left behind.
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Machine Learning · Cross-listed from stat.ML
Measuring consistency via ensemble margin and local prediction variability: Auditing decision systems in the presence of predictive multiplicity
Sinjini Banerjee, Tim Marrinan and Anand D. Sarwate
The Rashomon effect is a machine learning phenomenon where equally accurate models produce different predictions for the same inputs (predictive multiplicity). Existing work primarily focuses on multiplicity within individual models, but in more complex decision systems, the impact of the Rashomon effect is less well understood. In this work, we study multiplicity from the perspective of
auditing incorrect ensemble predictions, where the decision to divert an instance for human review is based on a consistency criterion that combines the ensemble margin with a measure of local prediction variability for each constituent model. With mild assumptions about stability and smoothness, we show that the consistency scores of finite ensembles converge to the corresponding consistency score of the expected model from the Rashomon set as the ensemble size and the number of samples used to measure local prediction variability increase. To demonstrate the efficacy of the proposed criterion, we evaluate the framework with respect to
transformer models applied to natural
language understanding tasks and parameter-efficient fine-tuning of large
language models used for tabular data classification tasks. Our experiments show that ensembling models from the Rashomon set substantially reduces the risk of incorrect predictions going unchecked compared with
auditing a single model, while incurring only a moderate increase in the number of diversions. Moreover, the
auditing behavior of the full Rashomon set can be closely approximated by finite ensembles of relatively modest size, with the risk approaching zero for some
datasets. We further demonstrate that the proposed measure exhibits stronger agreement with established predictive multiplicity metrics than existing consistency measures, providing a more reliable way to capture multiplicity in the Rashomon set.
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Machine Learning · Cross-listed from cs.CL
Investigating Linear Probe Robustness to Linguistic Register, Medical Specialty, and Corpus Shifts in Medical QA
Nishant Mishra, Ameen Abu-Hanna and Iacer Calixto
Linear classifiers trained on hidden states of a large
language model (LLM), linear probes, can flag factual errors from a single forward pass. Geometrically, that implies that true and false statements separate along a stable direction in hidden state space, i.e., the truth direction. Prior work disagrees on whether this generalises across input shifts, but the disagreement is hard to interpret because cross-
dataset probe transfer experiments confound several kinds of input change at once. We isolate three such variables in medical question-answering (QA): writing style (register), domain (medical specialty), and corpus (
dataset). We build a
benchmark using 500 MedQA entries, each rewritten into four styles (textbook, patient, clinical note, colloquial), annotated with clinical specialty, and grouped with two other exam corpora, MedMCQA and MMLU-medical, for cross-
dataset evaluation. Probing four open-weight LLMs (2–8B), we find that the truth direction is largely robust to writing style (mean $\Delta_\text{register} \approx 0.10$ AUROC on held-out facts) and to medical specialty ($\Delta_\text{specialty} \approx 0.03$), but degrades unevenly across corpora: by $0.12$ AUROC on MMLU-medical and by $0.21$ on MedMCQA, roughly twice the register gap. The register result replicates with a second generator and carries over to human-written patient questions. The truth direction is therefore largely stable within the medical domain but breaks under some corpus shifts, and question format does not explain the break, which suggests that the signal a linear probe recovers is partly bound to
dataset structure rather than to medical knowledge alone.
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Machine Learning · Cross-listed from eess.SY
Exact Risk-Complexity Laws for Projective Boundaries in Scenario Optimization and Distribution-Free Certification
Giuseppe C. Calafiore
Scenario optimization, conformal prediction, and related distribution-free certification methods use finite samples to construct decisions or prediction sets with violation-risk guarantees for fresh observations. In several classical settings, the conditional violation risk follows an exact beta law, whose tail has a beta-binomial representation and whose parameter is a support, calibration, or compression dimension. This paper identifies the deterministic boundary mechanism behind these formulas and derives the corresponding law when the observed boundary size is random. A decision rule is represented by an acceptance set for future observations, together with a boundary map selecting the sample points responsible for that set. The resulting pair is called a proper projective boundary scheme when held-out samples are accepted precisely if the full-sample boundary is retained, and accepted non-boundary samples can be deleted without changing that boundary. For every such scheme, the conditional law of the violation risk given the observed boundary size is determined by the boundary's cross-sample complexity profile. A stable profile yields the usual beta law, whereas a varying profile produces an exact profile correction. The framework covers scalar order-statistic calibration, support-reconstructive scenario programs, cascaded support-removal certificates, coordinatewise envelopes, and Pareto-frontier calibration with vector scores. It also yields conditional probabilistic certificates and a no-go result explaining why observed complexity alone is insufficient.
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Machine Learning · Cross-listed from cs.CL
Where the Verifier Fails: A Category-Level Audit of Reward Signals in RLVR
Esther Xin
Reinforcement learning with verifiable rewards (RLVR) and standard
benchmark evaluation both rely on an automatic verifier that turns a free text answer into a binary reward. Prior work reports that one evaluation harness accepts only about 94% of its own ground truth answers, blaming LaTeX parsing. That is an aggregate: it does not say which answer forms consume the error budget. We supply the decomposition. We apply metamorphic testing to the verifier rather than the model, generating certified equivalent answer variants, that is, rewrites that preserve mathematical meaning by construction, so that any rejection is a provable false negative needing no human adjudication. We then measure rejection per answer category across four widely used verifiers over 307,420 verdicts. We find three things. (1) Self validation ranges from 53.8% to 95.2% on identical inputs, a spread of 41.3 points. The published figure describes one implementation, not the task; two configurations of the same library disagree on 49.9% of pairs. (2) The residual is not spread across parsing categories but concentrated in whitespace and punctuation, which account for 93.0% of in contract failures for the default LaTeX configuration. A trailing period or newline dominates the budget. (3) Separating rejection from execution failure shows that verifiers with similar aggregate error fail for opposite reasons, and that a reference numeric cascade accepts off by one wrong answers as a step function of magnitude, from 0% below 10^4 to 100% at or above, because its relative tolerance is scale invariant.
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Machine Learning · Cross-listed from cs.AI
Cheap Verifiers, Large Blind Spots: Measuring the Reliability Cost of Cost-Saving Cascades
Dushyant Rajput, Nirdesh Chauhan and Siddharth Kosaraju
Inference cascades cut cost by answering most queries with a cheap model and escalating a hard tail to a frontier model that acts as verifier. A natural extension closes the loop: fine-tune the cheap student on the verifier's rejections so the escalation rate, and cost, fall each round. We measure this loop on real LLMs and report four findings. First, the verifier's blind spot, the fraction of the student's wrong answers it accepts, is large and moves adversarially: it grows with student capability ($\beta$ from 0.12 to 0.55 as the student scales 0.5B to 32B) and shrinks with verifier capability, so it is worst in the cheap-student, cheap-verifier regime cascades exist to create. Second, buying it away returns the saving: a frontier verifier drives $\beta$ to about 0.05 but then escalates on 46% of hard-MATH queries against a 39% true error rate, paying the frontier price on nearly half of all traffic. Third, naive corrective fine-tuning on the verifier-rejected tail does not improve the small student but degrades and ultimately collapses it, across every teacher we tried (cross-family and same-family), so at this scale the self-improving loop is self-defeating. Fourth, through all of this the cascade's own dashboard, every metric computed through the verifier, reads a flat 3% error while true delivered error swings up to 32%: the system is blind to its own degradation by construction. We then give the theory that explains the blindness, a two-population conservation law, $\epsilon_\infty \lesssim q_0 \beta_0$, under which every in-loop metric improves while true quality does not, and a synthetic study that validates the mechanism. The practical conclusion: the reliability of a self-improving cascade cannot be read from any metric computed through its own verifier.
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