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Monday 28 September

Machine Learning

Structured Neural SDEs for Functional Calibration

Neural Stochastic Differential Equations (Neural SDEs) provide flexible continuous-time generative models, but generic neural drift and diffusion networks are costly to simulate on long horizons and can give unstable gradients when the training signal is a path functional rather than a pointwise observation. We introduce SLiSDE, a family of Neural SDE models built from structured linear stochastic layers. Parallel-in-time simulation is obtained at the layer level, while expressivity is recovered by gated in-flow stacking: previous-layer paths modulate the next layer's latent flow through learned gates. For functional calibration tasks in which rare paths dominate the loss, we add an optional Girsanov tilt that acts as a learned importance sampler with an exact likelihood-ratio correction. We prove well-posedness, a discretisation error bound, validity of the change of measure, and a universality result: the terminal laws of the gated stack are dense in the space of square-integrable laws. Experiments on functional calibration benchmarks show that the structured model outperforms fully neural SDE baselines while retaining parallel-time simulation and stable importance weights.
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Machine Learning

Gaussian Neural Networks

Gaussian neural networks (GaNNs) are proposed as a novel regularization mechanism for neural networks. From a Bayesian perspective standard regularization techniques can be viewed as imposing priors over weight-space. Assuming priors over activation-space remains a largely unexplored possibility. GaNNs assume such priors. They do this by treating activities from earlier layers like signals with Gaussian noise and predicting the properties of the noise distribution using an additional unsupervised loss. While training, the unsupervised loss acts as a penalty on unexpected activities, allowing greater weight updates in less surprising directions. The paper demonstrates the superiority of Gaussian neural networks over standard neural networks on a variety of classification and regression tasks. We also investigate the ability of GaNNs to quantify uncertainty.
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Machine Learning · Cross-listed from cs.DC

Accelerator Choice Is Not Enough: AlphaFold2 Inference on Cloud TPUs

AlphaFold2 is written in JAX, so the same inference code compiles and runs unchanged on CPUs, GPUs and Google Cloud TPUs. That portability makes the accelerator look like the main decision a user has to make. We show that it is not. Running one AlphaFold2 inference workload across a Colab CPU runtime, an NVIDIA T4 GPU and a dedicated eight-chip Cloud TPU v5e slice, we find a large hardware advantage for the TPU, 0.47 s per call in steady state on a single chip against 13.1 s on the T4 in the same measurement campaign, and three ways in which the software layer decides how much of it a user actually gets. The default execution path uses one chip of the eight, and at list prices the idle capacity makes the slice cost about as much per prediction as the GPU. Batching with JAX's vmap never exceeds single-query throughput, while mapping queries across chips with JAX's pmap gives eight chips 6.5-7.9x the throughput of one on a matched grid; automatic sharding leaves the per-chip footprint unchanged, consistent with replication, most plausibly because AlphaFold2 carries no sharding annotations. Our retained trace analysis of a first call at a new input shape reports about three quarters of the traced span in JAX tracing and compilation rather than execution. Reruns five weeks later reproduced neither cloud baseline, the GPU one off by roughly a factor of two, so the hardware ratio above is specific to one campaign.
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Machine Learning

Polylogarithmic Nash Regret in Matrix Games with Bandit Feedback

We study Nash regret minimization in unknown finite matrix games with bandit payoff feedback and observed opponent actions. We develop Optimistic Payoff Balancing (OPB), which achieves instance-dependent $\mathcal{O}(\log^2 T)$ Nash regret against arbitrary adaptive opponents, including games with nonunique equilibria. This resolves the open problem posed by Maiti et al. (2025), extending their polylogarithmic guarantee under bandit feedback from $2\times2$ games to arbitrary finite dimensions. To handle nonunique equilibria, we construct a reference strategy that leaves room for local adjustments. We order independent payoff differences by estimation accuracy and scale these adjustments by uncertainty, allowing the learner to exploit the opponent's imbalance to offset estimation costs. Our result thus shows that observing opponent actions suffices for polylogarithmic Nash regret in general finite matrix games.
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Machine Learning · Cross-listed from cs.CV

From Perception to Integration: Revisiting the Internal Dynamics of Reasoning in Vision-Language Models

Vision-language models (VLMs) can answer simple visual questions, but often struggle when one question requires several visual judgments. We study this gap with controlled tasks for feature binding, numerosity, spatial relations, and amodal completion, together with a Composite task that combines them. Matched counterfactual image pairs isolate changes in the visual evidence needed to answer. Across four models, direct answers, hidden-state readouts, and state interventions show that the individual judgments can be made without explicit reasoning and that intervening on the corresponding states can affect the answer. During reasoning, the Composite answer becomes decodable from hidden states and usable from shortened traces, often before the model stops on its own. We train a small detector to predict this readiness and stop reasoning at that point. On MMStar and RealWorldQA, this reduces mean reasoning tokens by 79.1% and 74.5%, while average accuracy rises by 3.13 and 3.30 percentage points, respectively. These findings connect the internal development of answer readiness to a practical rule for allocating reasoning computation.
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Machine Learning · Cross-listed from cs.SD

On Temporal Binding in Large Audio Language Models

Reasoning about temporal structure of audio recordings requires Large Audio Language Models (LALMs) to associate sound events with their temporal position. Understanding the underlying mechanisms is a first step toward diagnosing failures and identifying model components that may need improvement. Using mechanistic interpretability, we investigate how temporal information is represented and bound to sound events in three open-source LALMs. We find that across all three, event-specific location becomes concentrated in event name representations at intermediate modality integration layers. These representations encode coarse event position along a low-dimensional, curved relative time trajectory. Steering event name representations along this trajectory systematically shifts before/after beliefs, providing evidence that these representations contribute to coarse temporal reasoning. In contrast, the same interventions do not reliably shift predicted onset timestamps, suggesting that coarse temporal reasoning and precise metric event localization rely on distinct mechanisms.
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Machine Learning · Cross-listed from cs.CR

Physics-Attested Federated Learning: Securing Collaborative Anomaly Detection in Critical Water Infrastructure

Federated learning enables industrial operators to train shared intrusion detection models without disclosing proprietary operational telemetry. However, existing defenses operate strictly in update space, leaving aggregators blind to data poisoning; model updates derived from fabricated telemetry remain indistinguishable from honest contributions. We repurpose cyber-physical process invariants, such as conservation laws and actuator couplings, from runtime detection heuristics into a verifiable admission requirement for federated updates, mined automatically from clean operational data. We evaluate this admission gate across two physical water testbeds (SWaT, WADI) and a distribution benchmark (BATADAL), testing seven aggregation rules against telemetry fabrication, exposure-only replay poisoning, and an invariant-aware adaptive adversary. Across three testbeds the mined invariants reject none of 100 honest shards and all naively fabricated ones, including optimised perturbations that FoolsGold admits in full. On real telemetry, five mined invariants detect 12 of SWaT's 35 attacks, while nine invariants detect 20, with no honest shard rejected. With nine rules, the physics gate recovers 69–100% of the targeted-attack recall lost to replay poisoning, and 54–100% of that lost to fabricated telemetry, across five standard aggregators. To reconcile physical admission control with federated data privacy, we show invariant compliance using zero-knowledge proofs (zk-SNARKs) to allow clients to prove batch adherence without revealing operational telemetry.
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All authors Jeff Nijsse, Shu Su, Benjamin Oholeguy, Sreenivas Sremath Tirumala

Machine Learning

Separating personal from population gains when calibrating EEG foundation models for new users

Foundation models are increasingly adapted to individual users, but an apparent personalization gain can simply reflect a stronger population model. This distinction matters for brain-computer interfaces, where every new user must be calibrated. We evaluated personal adaptation of three frozen EEG foundation models (CBraMod, REVE and LaBraM) in 235 held-out subjects from three motor-imagery datasets, comparing each subject's adapter with the population model and with adapters fitted to other subjects. Using all first-half session labels, personal adapters improved mean balanced accuracy over the population model by 1.5-5.4 percentage points and outperformed exchanged adapters by 2.3-7.3 points in all nine model-dataset combinations. The size of this benefit depended on population training: with four times the original budget, median gains remained positive (1.0-2.0 points) but were smaller for every model, and no population model reached a confirmed plateau. Acquiring the benefit cheaply was unreliable: few-label calibration was consistently non-negative on only one dataset, and in CBraMod neither unlabeled context nor meta-learned initialization outperformed matched controls. Personalization should therefore be evaluated against both a population reference and exchanged parameters, across population-training budgets.
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Machine Learning · Cross-listed from math.OC

Finite-Time Concentration and Convergence Rates for Projected Two-Time-Scale Stochastic Approximation with Markov Noise

We study finite-time concentration and convergence rates for projected two-time-scale stochastic approximation driven by a controlled Markov chain. The averaged fast map is contractive, while the slow iterate is projected onto a compact convex polyhedron. The associated projected ordinary differential equation may have a discontinuous vector field at the boundary, preventing a direct application of standard analyses based on Lipschitz vector fields. Using the Skorokhod map, we establish explicit high-probability bounds for tracking the moving fast equilibrium and the projected slow dynamics. These bounds separate martingale fluctuations, Markov-noise residuals, and the bias due to time-scale separation. A Lipschitz Lyapunov function satisfying a uniform decrease condition over fixed time intervals yields almost-sure convergence, with explicit last-iterate rates when the decrease admits a power lower bound. Under uniform Lyapunov contraction, polynomial step sizes yield joint fast-tracking and slow Lyapunov-error exponents arbitrarily close to $1/3$. Under the additional assumption that the reduced slow update map is a Euclidean contraction, logarithmically separated step sizes improve the joint rate to $O(n^{-1/2}\log n)$ almost surely, including for boundary equilibria. The same rate holds under a distinct geometric condition involving a strictly attracting face of a box and a fast equilibrium that is constant on that face. An actor-critic application achieves an almost-sure value-gap rate of $O(n^{-1}\log n)$ relative to the optimum within the constrained policy class. Further applications include projected TD(0) and projected stochastic gradient descent. We also extend the analysis to projection of the fast recursion under Euclidean contractivity.
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Machine Learning

Instance-Adaptive Prompts as Context for Time-Series Foundation Models

Longer histories can improve time-series foundation models (TSFMs), but require substantially higher inference cost. We therefore ask whether contextual information can be provided more efficiently through a compact set of learned token embeddings. We introduce PaCTS, which generates a small set of instance-adaptive latent prompts in the form of continuous embedding tokens conditioned on the visible context. These prompts serve as compact context surrogates for frozen TSFMs. PaCTS constructs them from instance-specific global statistics and further refines them with segment-level temporal information, capturing both global characteristics and local temporal variations. The prompt module is jointly trained and deployed across heterogeneous time series with the frozen backbone. Extensive experiments demonstrate the effectiveness of prompts as context, consistently improving forecasting across context lengths and model architectures. With a shorter input context, PaCTS can outperform the same frozen backbone using double context while requiring substantially less inference computation. Compared with weight-space adaptation methods, PaCTS achieves stronger improvements and better out-of-distribution generalization.
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All authors Zehao Xiao, Shifeng Xie, Lei Zan, Jianfeng Zhang, Lujia Pan, Ievgen Redko, Malik Tiomoko, Keli Zhang

Machine Learning · Cross-listed from cs.AI

BEHAVE: Functional Behavior Modeling Enables Self-Improving Agents for Hardware Design and Verification

Developing agents for hardware design and verification requires reliable correctness feedback. As a hardware specification may permit correct implementations with different latencies, matching design and reference outputs cycle by cycle can reject valid designs. To address this, we introduce BEHAVE, an agentic framework for multi-turn joint hardware design and verification through functional behavior modeling. We define Behavior IR to express task functionality as executable behavior models without prescribing implementation timing beyond the specification. The agent iteratively develops a register-transfer-level (RTL) design and a behavior model as the design's verification reference. Our evaluator, BEHAVE-Sim, checks both artifacts separately against a hidden golden behavior model using input stimuli generated by random sampling and solver-guided search. BEHAVE thus supports power, performance, and area (PPA) exploration across task-permitted latencies and microarchitectures. During training, the same evaluator provides verifiable reinforcement learning (RL) rewards from specification-behavior pairs without reference RTL. For self-improvement, the agent continually searches for high-level implementations relevant to its capability gaps, constructs and checks specification-behavior pairs, and trains on the expanded task pool. We release BEHAVE-Train and BEHAVE-Eval with 600 human-reviewed specification-behavior pairs for realistic hardware workloads. Starting from 60 seed tasks and acquiring 100 new tasks, self-improvement raises Qwen3.8-27B's RTL pass@1 on BEHAVE-Eval from 55.0% to 75.0%, reaching performance comparable to RL using a 540-task pool.
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All authors Yuheng Wu, Berk Gokmen, Sujeeth Jinesh, Lauren McLane, Aarav Wattal, Qi Yang Huang, Zhaozhuo Xu, Thierry Tambe

Machine Learning · Cross-listed from cs.RO

CoHuB: A Simulation Benchmark for Multi-Humanoid Collaboration

Many physical tasks in human environments require collaboration, from assisting a partner to jointly manipulating an object. Yet, existing humanoid benchmarks largely focus on single-humanoid skills and lack evaluation of multi-humanoid collaboration under egocentric visual observations. We introduce CoHuB (Collaborative Multi-Humanoid Benchmark), a simulation benchmark for multi-humanoid collaboration under egocentric visual observations. CoHuB provides 10 tasks, eight with two humanoids and two with three humanoids, spanning diverse collaboration patterns. We also provide synchronized demonstrations collected through a multi-operator VR teleoperation pipeline, in which each operator controls one humanoid from its egocentric view. Experiments with representative visuomotor policies reveal substantial challenges across different forms of coordinated perception and control. CoHuB provides a foundation for developing and evaluating multi-humanoid collaboration policies.
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All authors Hyunjin Park, Jebeom Chae, Minwoo Park, Sunghyun Park, Hanjun Yoo, Seoyeon Choi, Soochul Yoo, Joohwan Seo, Sarmad Idrees, Jae-Sang Hyun, Jongmin Lee, Roberto Horowitz, Youngwoon Lee, Jongeun Choi

Machine Learning · Cross-listed from cs.AI

When Do Model Internals Help? Exploring the Role of Representation Engineering in LLM Safety

Reliable AI safeguards require both control mechanisms that reduce unsafe behavior and monitoring mechanisms that detect safety risks during model interactions. Established behavioral safeguards include alignment methods that optimize model outputs and text monitors that assess interaction text. Representation engineering instead reads or modifies internal model states, but the relative strengths of these approaches remain unclear because they are often evaluated under different settings. We present a matched evaluation across two tracks. For safety control, we compare DPO, a behavioral alignment method, with three representation steering methods across robustness, practicality, and granularity. DPO provides the strongest overall control and generally improves with increasing training data, although its safety can degrade after subsequent benign fine-tuning. Representation steering remains competitive primarily in low-data settings, particularly with high-quality contrastive data. For safety monitoring, we compare representation probes with fine-tuned and open-weight text monitors across full-response detection, early detection, and computational cost. Specialized text monitors achieve the strongest overall detection accuracy, while representation probes remain competitive at substantially lower marginal cost. Finally, monitor-guided interventions recover much of the safety lost by DPO after benign fine-tuning, with little additional over-refusal. Overall, representation engineering does not generally replace behavioral safeguards, but offers practical advantages under specific conditions and can provide complementary safety benefits.
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Machine Learning · Cross-listed from cs.CV

Beyond Reconstruction Loss in Post-Training Quantization: Balanced Fitting for Large Vision-Language Models

Post-training quantization (PTQ) enables efficient deployment of large vision-language models (LVLMs), but is typically calibrated on a small set while expected to generalize across diverse downstream tasks. Although recent PTQ methods for LVLMs incorporate sensitivity signals, they still minimize reconstruction loss with respect to the full-precision model, potentially over-preserving FP behavior and calibration-specific bias. Rather than treating quantization solely as an error to be minimized, we observe that it can also provide beneficial regularization for certain layers and modalities. Motivated by this observation, we propose Balanced Fitting, a quantization effect-based framework that balances precision and regularization beyond reconstruction-based optimization. By measuring layer- and component-wise quantization effects for weights, vision activations, and text activations, Balanced Fitting combines fine-grained fitting for sensitive components with coarser fitting to exploit potential regularization benefits. Experiments on multiple LVLMs show that our method consistently outperforms prior PTQ approaches under both weight-only and weight-activation quantization, while lower reconstruction loss does not reliably translate into better downstream performance. The source code is publicly available at https://github.com/kmc3661/BFQ
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All authors Minchan Kang, Kyeonghye Park, Seungyeon Sa, Seoyoung Cho, Daeshik Kim, Yucheol Cho

Machine Learning · Cross-listed from stat.ML

Statistical Benefits of Fine-Tuning from Pretrained Initialization in Diagonal Linear Networks

Adapting pretrained models to downstream tasks with limited data has become a central paradigm in modern deep learning. Yet, despite its widespread practical success, how fine-tuning leverages information from pretraining remains poorly understood theoretically. We study fine-tuning from pretrained weights through the lens of sparse linear regression and two-layer diagonal linear networks. In our setting, pretraining provides information through the support (and signs) of the initialization predictor, which may contain coordinates relevant to the downstream task. We show how pretrained information reshapes the implicit bias and training dynamics, and can thereby reduce the sample complexity of recovering the target parameters and support. In particular, for a clean initialization with correctly inherited signs, we show that the required sample size is comparable to that of a weighted Lasso estimator that explicitly exploits the pretrained support through a suitably chosen regularizer. Our results thus show how information encoded in pretrained weights can be implicitly exploited by gradient-based fine-tuning, reducing the amount of data needed to recover a downstream task.
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Machine Learning

A Unifying Framework of Concept-based Explainable AI with Completeness Guarantees

Concept-based explanations describe neural network predictions through human-understandable properties of inputs called concepts. The field encompasses approaches that differ in how they define and represent concepts and connect them to model predictions. We introduce a theoretical framework that describes these approaches in a common mathematical language and supports a shared analysis of their properties. For concept discovery, which identifies concepts automatically within a latent space of a trained model, we employ a concept autoencoder view. An encoder extracts concept representations from the model's latent space, and a decoder uses them to reconstruct the original latent representation. The autoencoder's reconstruction error measures how accurately its decoder recovers the original latent representation. We revisit model completeness: how well the concepts can reproduce the model's outputs. We show that model incompleteness of the concepts can be bounded by the autoencoder's reconstruction error. The autoencoder view also provides a common way to define individual concept attributions, which measure each concept's contribution to a prediction. We establish when these attributions sum to the model's prediction, and bound the discrepancy otherwise, thus providing attribution completeness guarantees.
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All authors Vojtěch Kůr, Adam Kukučka, Tomáš Brázdil, Vít Musil

Machine Learning

No Pain, More Gain: Iterative Merging for Effective Multi-Teacher On-Policy Distillation

Multi-teacher on-policy distillation (MOPD) combines independently developed domain teachers into a single student by distilling their predictions on student-generated samples. We study a setting where teachers share a reference model but undergo different post-training procedures, and find that MOPD can struggle to recover some teacher capabilities. Because distillation occurs on student-generated prefixes, the student initialization can strongly affect subsequent recovery. However, initial benchmark performance is not a reliable predictor of a good MOPD initialization. For example, merge initialization can start below SFT warm-up yet finish higher after MOPD. We further find that effective merging depends on both the relative teacher contributions and the overall merge scale, with some strong configurations lying outside the simplex of convex parameter averaging. Thus, selecting a good merge initialization requires evaluating not only its immediate performance but also the learning it enables under MOPD, making one-shot coefficient search difficult. We propose Iterative Merging for MOPD (IM-MOPD), which starts from a uniform merge and progressively adds task-vector increments for under-recovered domains during distillation. In a 5-domain setting, IM-MOPD achieves higher average normalized recovery than MOPD with either uniform merge initialization or SFT warm-up, showing that effective teacher contributions can be determined progressively during training.
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All authors Seonghyeon Kim, Chaeyun Jang, Noah Lee, Boseop Kim, Juho Lee

Machine Learning · Cross-listed from cs.CV

Do Emotion Concepts Generalize Across Sources, Modalities, and Architectures in Vision-Language Models?

Recent studies suggest that large language models encode emotion concepts as structured internal representations, but most existing work focuses on text and a single architecture. Therefore, we ask, do emotion concepts generalize across sources, modalities, and architectures in vision–language models (VLMs)? To address this, we construct CMES (Cross-Modal Emotion Stimuli), a multi-source collection of emotion-conditioned stories, real facial expressions, synthetic portraits, and synthetic emotion-evoking scenes. For each stimulus source, we extract a separate set of six Ekman emotion vectors from each of three VLMs. We report four main findings as follows: 1) Image-derived emotion vectors form a low-dimensional geometry similar to that of text-derived vectors. Valence is relatively stable across sources, while arousal varies more. 2) Text- and image-derived emotion vectors have modest cosine similarity but still show held-out cross-modal correspondence. Text-derived vectors can also steer image interpretation. 3) Cross-architecture correspondence remains even when native cosine is near zero. Transformations estimated from generic ImageNet activations recover both correspondence and causal transfer without using the six emotion vectors or their labels. 4) After aligning representations across architectures, we construct a shared emotion subspace that preserves affective geometry and selective steering effects. The corresponding consensus emotion vectors also generalize to a held-out fourth architecture at two model sizes. These results suggest that emotion representations can share relational structure and causal effects across sources, modalities, and architectures, even when individual vector directions differ.
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All authors Bohao Xing, Xin Liu, Kaishen Yuan, Deng Li, Rong Gao, Guoying Zhao, Xiaolan Fu, Heikki Kälviäinen

Machine Learning

Predictive Dual Smoothing for Column Generation

Solving large-scale linear programs efficiently is an important challenge in many optimization settings. A key technique is column generation, which alternates between solving the master problem over a restricted subset of the variables, and using a pricing subproblem to identify new variables to add. The pricing subproblem is guided by the dual solution of the current restricted master problem, but oscillations in these dual solutions can substantially slow convergence. Dual stabilization methods address this issue. Dual smoothing is a common stabilization method, which guides the pricing subproblem using a combination of the current dual solution and duals from previous iterations. However, while past dual solutions can stabilize the dual trajectory, they do not necessarily guide pricing towards useful new variables. We therefore introduce predictive dual smoothing, which instead combines the current dual solution with a learned prediction of future duals to steer pricing towards variables that are more useful in subsequent iterations. The predictor is trained offline using supervision extracted from standard column generation trajectories and is used only to modify the pricing subproblem's objective function, while exact reduced-cost checks and fallback pricing with the unsmoothed duals preserve correctness. Experiments on cutting stock and generalized assignment problems show that predictive dual smoothing substantially reduces generated columns and wall-clock time relative to standard column generation and existing classical and learned stabilization methods. These gains extend to out-of-distribution instance sizes, and predictive smoothing provides further improvements when combined with strong classical stabilization.
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All authors Senne Berden, Noah Schutte, Andrea Lodi, Tias Guns

Machine Learning · Cross-listed from cs.AI

SeLMRoute: Probabilistic Semantic Evidence for Large Language Model Routing

Large language model (LLM) routing aims to select the most suitable model for each incoming query. Most existing routers learn this decision directly from query embeddings, model representations, preference data, or clusters of similar examples. Such approaches can be effective, yet the representation used for routing rarely states what a query actually requires. We introduce SeLMRoute, a routing framework that separates the extraction of candidate-independent semantic evidence from the learning of candidate performance and the application of deployment objectives. A decision model first evaluates a set of interpretable questions about the query, such as its reasoning requirements and use of external knowledge, with each judgment retained as a probability distribution. The resulting probabilistic semantic state is used by a lightweight supervised router to estimate candidate model performance. Routing objectives are applied after performance estimation, which allows the same semantic state to support performance-oriented and cost-aware decisions. On the LLMRouterBench (15 datasets, 20 candidate models, 11,481 queries), SeLMRoute achieves an average accuracy of $72.08\% \pm 0.45$, while grouped five-fold out-of-fold evaluation reaches $72.64\%$, compared with $69.23\%$ for the strongest fixed candidate. The representation achieves the highest mean performance among the evaluated semantic, dense, lexical, and domain-level representations. In a separate 13-model performance-cost setting, SeLMRoute improves performance in all five grouped splits, with a mean PerfGain of $2.66\%$. Our code is available at https://github.com/Indigma-Innovations/SeLMRoute.
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Machine Learning · Cross-listed from stat.ML

Information-Theoretic Analysis of Next-Token Prediction under Markovian Data

We develop an information-theoretic framework for generalization in next-token prediction under temporally dependent data. We consider independent trajectories generated by finite-memory Markov processes and distinguish algorithmic dependence, quantified by mutual information, from temporal dependence, characterized by mixing. For cross-entropy loss, we derive an expected generalization bound using the Donsker–Varadhan variational representation and a McDiarmid-type concentration inequality for Markov chains. A refinement captures the joint effect of context length and temporal mixing through the mixing properties of the history-state process. We then extend the bound through a rate–distortion formulation, replacing mutual information with the minimum information rate required to represent the learned model within a prescribed distortion in the generalization gap, yielding informative guarantees for deterministic algorithms over continuous hypothesis spaces. For margin-based prediction, we derive explicit bounds for linear and self-attention next-token predictors via noisy low-dimensional compression, revealing the roles of context length, model complexity, sample size, margin, and temporal mixing. Experiments on TinyStories and ETTh2 show that longer contexts can reduce both training and test losses, but typically reduce training loss more, enlarging the generalization gap. A complementary ETTh2 analysis identifies an effective predictive-memory scale near 24 hours, with no statistically supported improvement beyond this scale, offering a plausible explanation for test-performance saturation at larger contexts.
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Machine Learning

Edge-Level Automorphism in GNNs: A Quantitative Framework and Effective Designs For Link Prediction

Graph Neural Networks (GNNs) are effective for learning node and link embeddings through permutation-equivariant aggregation. However, standard GNNs collapse automorphic nodes, i.e., those with identical structural roles (or orbits) into indistinguishable representations, leading to the node automorphism problem. This collapse limits their expressive power and degrades link prediction performance. Existing approaches to characterize GNN expressiveness rely primarily on Weisfeiler-Lehman (WL) analyses, but these methods are typically qualitative and often misaligned with empirical results. To address this gap, we begin by introducing a novel quantitative framework to assess GNN expressiveness for link prediction. We first formalize edge-level automorphism through edge orbits, which capture the set of structural role pairs for nodes that share a link. Then, we introduce the edge automorphism ratio (EAR), a scalar metric that quantifies a GNN's ability to distinguish links in a given graph. We empirically demonstrate that EAR correlates strongly with performance, validating its practical benefit. Building on this insight, we design EDGE-ORBIT EQUIVARIANT GRAPH NEURAL NETWORK (EO-GNN), a GNN architecture that addresses automorphism collapse while preserving equivariance and incurring minimal computational overhead. EO-GNN accomplishes this through two core designs combined with WL-based node hashes: (i) automorphism-aware dropouts and (ii) subgraph orbit-biased aggregation. Empirical evaluations on synthetic and real graphs show improvements of up to 42.36% and 28.44%, respectively, in predicting links in scenarios with high automorphism.
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All authors Chen Shao, Donald Loveland, Tobias Käfer, Danai Koutra

Machine Learning

Quality Determines Direction, Length Shapes Magnitude: Length Control for Open-Ended Reinforcement Learning

Reinforcement learning (RL) changes not only what language models say, but also how much they say, often increasing response length at the cost of token efficiency. Controlling this length growth is particularly challenging in open-ended RL because (i) response length is entangled with quality, (ii) open-ended tasks lack a natural success boundary for deciding when efficiency should be prioritized, and (iii) dense, graded rewards often yield small within-group quality margins, making quality-induced advantages especially sensitive to reward-level length shaping, which can perturb their magnitudes and even reverse their signs. We therefore adopt an asymmetric principle: quality should determine the direction of reinforcement, while length should only shape its magnitude. We instantiate this principle with Quality-Gated Length Advantage Shaping (QGLAS), which first computes advantages from quality rewards alone, then adds bounded bonuses only to shorter positive-advantage responses, leaving all other advantages unchanged. The bonus strength is further adapted to within-group quality separation, allowing conciseness to matter more when quality-favored responses are similar and less when their quality differences are clear. Across different model families, open-ended benchmarks, and reward sources, QGLAS consistently achieves a stronger quality–length trade-off than representative baselines. At approximately 30% compression, QGLAS retains 98.4–102.0% of the macro-average quality gains achieved by quality-only RL over the base model, compared with 68.3–75.5% for these baselines at comparable compression.
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All authors Zijun Weng, Zhongan Bi, Xuanang Gao, Xiaohui Hu, Shuangyong Song, Yongxiang Li, Kaidong Yu, Xuanjing Huang

Machine Learning

Learning Propagation Geometry from Message-Passing Feedback

Learning local geometry enables graph neural networks (GNNs) to adapt how they compare and integrate neighborhood information. However, estimating geometry from aggregated representations can overlook variation among individual messages and dependencies across feature dimensions. We propose GeoF, a recurrent framework that jointly evolves node features and propagation geometry through message-passing feedback. Each node maintains a local symmetric positive-definite geometry, initialized from a structure-aware prototype atlas and parameterized in block log-triangular coordinates. At each step, the geometry determines neighborhood weights, while triangular frame transport maps transformed source messages into the target node's local coordinates before aggregation. Weighted second-order statistics of residuals between aligned messages and the transformed target state capture directional variation and within-block dependencies, yielding a geometric update target. A shared controller learns complementary corrections through task supervision. A bounded log-triangular update combines these corrections, the target, and the previous geometric state while preserving positive definiteness. The geometry governs subsequent propagation, closing the feedback loop. With parameters shared across recurrent steps, task-specific readouts support node classification, link prediction, and graph classification. Experiments on benchmark datasets show that GeoF consistently outperforms state-of-the-art GNN baselines.
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All authors Yingxu Wang, Kunyu Zhang, Xinwang Liu, Mengzhu Wang, Siyang Gao, Chang Tang, Nan Yin

Machine Learning · Cross-listed from cs.AI

ResonAct: Streaming Metrics for Runtime Diagnosis and Self-Healing in Multi-Agent Systems

Multi-agent systems (MAS) are increasingly used to automate enterprise workflows involving multiple specialized agents, external tools, and long-running task execution. Failures may arise from tool degradation, context propagation errors, coordination breakdowns, or repeated agent interactions that prevent task completion. While existing observability frameworks provide traces and logs, diagnosis and remediation are largely performed after execution completes, limiting opportunities for recovery during runtime. We present ResonAct, a runtime self-healing framework that enables continuous monitoring, diagnosis, and remediation of multi-agent systems through streaming operational metrics. ResonAct ingests execution traces, agent interactions, and tool invocations into a streaming analytics layer that continuously derives task progress, context health, and tool reliability metrics. These metrics serve as runtime control signals for detecting anomalous execution patterns and localizing root causes using a structured failure model. Based on the diagnosed failure, ResonAct dynamically selects remediation policies and performs actions. The framework operates as an external control plane, enabling intervention without modifying application agents or orchestration logic. We evaluate ResonAct across enterprise workflow scenarios and AppWorld benchmarks. The results show that the streaming metric-based analysis identifies execution degradations and localizes faults. Furthermore, policy-driven remediation improves task completion rates by up to 10.00 percentage points, with detection precision ranging from 70.59% to 82.91%, recall from 63.09% to 100%, recovery rates from 10.48% to 46.67%, and runtime overhead ranging from $-0.25%$ to 14.12% across the evaluated configurations.
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All authors Tarun Chintada, Neelamadhav Gantayat, Ishaan Romil, Renuka Sindhgatta, Soujanya Soni, Sameep Mehta

Machine Learning

Predicting Delayed Train Trajectories on the Dutch Railway Network: Explainable AI Evaluation of Topological, Operational and Weather Features with Tree Based Ensemble Methods

The reliable prediction of passenger train delays is a critical component of railway management. While contemporary research frequently attempts to maximize absolute accuracy by deploying opaque deep learning architectures, the underlying data mechanics driving longitudinal predictive decay remain underexplored. Consequently, this study provides an explainable temporal robustness analysis of network-wide railway delay prediction. Focusing on the Dutch railway network, this research utilizes interpretable tree-based ensembles to integrate granular topological, environmental, and operational features. The overarching finding establishes that while feature-rich tree-based models improve simultaneous (within-month) prediction, predictive performance systematically degrades when evaluated across non-simultaneous (future) months. Furthermore, multi-horizon SHAP and dispersion analyses explicitly link this degradation to environmental feature volatility and instability within the statistical target definition. Ultimately, this study demonstrates that richer feature sets alone are insufficient to resolve long-term forecasting constraints, underscoring the necessity to transition toward dynamic, season-aware architectures anchored by absolute operational boundaries.
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Machine Learning · Cross-listed from cs.RO

Natural State-Prediction Accuracy can Hide Weak Controlled Responsiveness in VLA Readouts

Accurately decoding object states from the internal representations of vision-language-action (VLA) models does not establish that the predictions respond faithfully to changes in the target physical state. In natural observations, object state, robot configuration, occlusion, and task progress vary together, allowing contextual cues to contribute to prediction. In this paper, we introduce an evaluation framework that separates prediction accuracy, target-state responsiveness, and context stability using physically validated observations that cross target coordinates with robot contexts. We demonstrate that high natural-trajectory accuracy can coexist with weak controlled target-state responsiveness in fixed representation-readout pairs. Comparisons and interventions involving representations, readouts, and training data show that the three properties provide distinct diagnostic information. Furthermore, adding responsiveness and context sensitivity to a failure predictor based on initial state error and physical variables reduces policy-failure prediction error on new initializations relative to the specified baseline while same-observation controlled MAE is also informative. These findings motivate evaluating target-state responsiveness and context stability alongside natural prediction accuracy, and examining their relationship to actual policy behavior and task outcomes.
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All authors Hyungjoon Kim, Wonbin Son, Mi Young Lee, Jun Young Lee, Seungmin Rho

Machine Learning

AgentPerfBench: A Benchmarking and Evaluation Suite for Inference Performance of Agentic LLMs

The optimization of LLM serving engines, such as vLLM and SGLang, is largely benchmark-driven: optimizations, scheduling policies, hardware and system designs are all selected based on representative workloads. However, a significant mismatch has emerged in the agentic era. Existing benchmarks primarily focus on simple single-turn chatbot workloads. LLM applications are increasingly agentic: coding agents, terminal execution systems, and tool-use agents issue multi-turn requests with growing context lengths. We introduce AgentPerfBench, a benchmark suite for agentic inference. It uses real traces from agentic benchmarks, such as SWE-Bench and TerminalBench, alongside standard chat baselines. This enables benchmarking of models on multi-turn tasks involving tool calling, skill utilization, and increasing context lengths. AgentPerfBench also samples from empirical distributions of input length, output length, and turn count derived from the real traces, generating representative synthetic profiles for cheap and accurate measurements on new hardware. In addition, we further find that several existing benchmarks fail to accurately reflect real hardware performance for two key reasons: 1) they do not account for realistic context-length growth, and 2) they measure inference performance without operating at hardware saturation. We discuss these issues in detail and provide rich kernel-level Nsight Compute (NCU) traces to construct a new multi-dimensional roofline model that captures hardware-system limitations in both memory bandwidth and memory capacity footprint. The benchmarking suite then includes automated scripts to identify potential bottleneck conditions on emerging hardware when evaluated with diverse agentic traces. Together, these contributions quantify the chat-to-agentic gap in current inference benchmarks and characterise per-kernel GPU resource utilisation via roofline analysis.
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All authors Cheuk Hang Lau, Zeyu Cao, Kevin Wong Cheuk Yin, Yao Lai, Haoran Wu, Nicholas D. Lane, Robert D. Mullins, Ilia Shumailov, Yiren Zhao

Machine Learning

SOLAR: A State-Driven Online Learning Rate Scheduler for LLM Pretraining

Learning-rate (LR) scheduling plays a central role in large language model (LLM) pretraining, yet current practice still relies heavily on hand-crafted heuristics such as Warmup-Cosine-Decay and Warmup-Stable-Decay. Because these schedules are fixed in advance, they cannot adapt to evolving optimization dynamics. Online learned scheduling within the Learning to Optimize (L2O) framework offers a dynamic alternative, but remains brittle at LLM scale due to noisy signals, delayed feedback, and the risk of catastrophic divergence. We propose SOLAR (State-driven Online Learning rAte scheduleR), a stabilized framework for reliable online LR adaptation. SOLAR uses a base schedule as a reference and learns bounded, state-dependent residual corrections for individual parameter groups. Each correction re-anchors to the base at every step, allowing the policy to adapt the LR without relearning the warmup-decay profile. A lightweight state representation and progress-aware reward guide online learning, while a Circuit-Breaker restores training after rare unsafe actions. Across autoregressive language-model pretraining, SOLAR improves final perplexity over tuned static schedules and automatic LR tuners for dense models from 60M to 1B, AdamW and Muon, and two MoE settings up to 3B. Matched 130M controls show that adding base anchoring and action bounds improves a global PPO controller from 27.09 to 23.74 final PPL, while group-wise control reaches 22.87 on the same two seeds. A residual policy trained on a 60M proxy can also be frozen and reused at larger dense scales without target PPO updates, remaining effective across a fourfold base-LR range. These results establish SOLAR as a practical learned LR controller for LLM pretraining.
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All authors Qiulin Shang, Binyu Wang, Yongqi Qiao, Songde Rao, Zhoutong Wu, Kun Yuan

Machine Learning

QuantForge: Discovering Residual Decompositions for MXFP4 Post-Training Quantization

Four-bit post-training quantization can reduce the memory demands of large language models, but preserving accuracy under strict MXFP4 W4A4 requires coordinating several design choices. Coordinate transforms change block-encoding errors, which in turn affect the residuals propagated through the network. The useful algorithmic decomposition is therefore not fully known before search. LLM-driven program evolution offers a way to explore these choices, but performance scores alone do not explain which design should change next. We introduce QuantForge, a PTQ discovery system that records competing explanations, selects controls that distinguish them, and checks that successor code implements the resulting conclusions. This residual compilation guides program revisions while retaining useful programs even when their original explanations are rejected. Remeasuring the revised program reveals the next error to address. This process discovers HiRes, a fixed MXFP4 quantizer that shapes coordinates, refines legal code assignments, and recovers errors along attention and MLP paths. Each stage acts on residuals measured after the preceding stage has executed. Across seven tasks, HiRes achieves the lowest seven-model Robust Fit (0.09300) and the lowest quantized Fit-7 at 32B. In matched-budget comparisons of LLM-driven program evolution, each with 240 evaluator calls, QuantForge reaches a held-out transfer target in six of eight runs, compared with three each for textual memory and reflection memory, and one for score-only evolution, despite evaluating fewer new programs. These results show that QuantForge improves the discovery of transferable PTQ algorithms by turning controlled evidence into subsequent program changes.
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All authors Qiulin Shang, Zhoutong Wu, Jie Hu, Kun Yuan