Peer Revenue Fully funded

Papers

Fresh from arXiv, typeset properly. Highlighted words trade on the market.

Computer Science Machine Learning

cs.LG Watch Machine Learning (sign in to use)

Tuesday 28 April

Machine Learning · Cross-listed from cs.CV

Why Domain Matters: A Preliminary Study of Domain Effects in Underwater Object Detection

Domain shift, where deviations between training and deployment data distributions degrade model performance, is a key challenge in underwater environments. Existing benchmarks testing performance for underwater domain shift simulate variability through synthetic style transfer. This fails to capture intrinsic scene factors such as visibility, illumination, scene composition, or acquisition factors, limiting analysis of real-world effects. We propose a labeling framework that defines underwater domains using measurable image, scene, and acquisition characteristics. Unlike prior benchmarks, it captures physically meaningful factors, enabling semantically consistent image grouping and supporting domain-specific evaluation of detection performance including failure analysis. We validate this on public datasets, showing systematic variations across domain factors and revealing hidden failure modes.
Read the full abstract

All authors Melanie Wille, Dimity Miller, Tobias Fischer, Scarlett Raine

Machine Learning

Entropy Centroids as Intrinsic Rewards for Test-Time Scaling

An effective way to scale up test-time compute of large language models is to sample multiple responses and then select the best one, as in Grok Heavy and Gemini Deep Think. Existing selection methods often rely on external reward models, which requires training a strong reward model and introduces additional computation overhead. As an alternative, previous approaches have explored intrinsic signals, such as confidence and entropy, but these signals are noisy with naive aggregation. In this work, we observe that high-entropy tokens tend to cluster into consecutive groups during inference, providing a more stable notion of model uncertainty than individual tokens. Together, these clusters reveal temporal patterns of model uncertainty throughout the inference process. Motivated by this observation, we propose to use the temporal structure of uncertainty as an intrinsic reward. To this end, we first formalize the basic unit of segment-level uncertainty as the High Entropy Phase (HEP), a variable-length segment that begins at a high-entropy token and ends when consecutive low-entropy tokens appear. We then define the Entropy Centroid, inspired by the concept of the center of mass in physics, as the weighted average position of all HEPs along the trajectory. Intuitively, a lower centroid indicates early exploration followed by confident generation, which we find often corresponds to higher response quality. Based on this insight, we propose the Lowest Centroid method, which selects the response with the lowest entropy centroid among multiple candidates. Experiments on mathematics, code generation, logical reasoning, and agentic tasks, across model scales ranging from 14B to 480B, show that Lowest Centroid consistently outperforms existing baselines and delivers stable gains as model size increases. Code is available at https://github.com/hkust-nlp/entropy-centroid.
Read the full abstract

All authors Wenshuo Zhao, Qi Zhu, Xingshan Zeng, Fei Mi, Lifeng Shang, Yi R. Fung

Machine Learning · Cross-listed from eess.SY

Co-Learning Port-Hamiltonian Systems and Optimal Energy-Shaping Control

We develop a physics-informed learning framework for energy-shaping control of port-Hamiltonian (pH) systems from trajectory data. The proposed approach co-learns a pH system model and an optimal energy-balancing passivity-based controller (EB-PBC) through alternating optimization with policy-aware data collection. At each iteration, the system model is refined using trajectory data collected under the current control policy, and the controller is re-optimized on the updated model. Both components are parameterized by neural networks that embed the pH dynamics and EB-PBC structure, ensuring interpretability in terms of energy interactions. The learned controller renders the closed-loop system inherently passive and provably stable, and exploits passive plant dynamics without canceling the natural potential. A dissipation regularization enforces strict energy decay during training, thereby enhancing robustness to sim-to-real gaps. The proposed framework is validated on state-regulation and swing-up tasks for planar and torsional pendulum systems.
Read the full abstract

Machine Learning

Budget-Constrained Causal Bandits: Bridging Uplift Modeling and Sequential Decision-Making

Treatment allocation under budget constraints is a central challenge in digital advertising. The standard approach trains an offline uplift model on historical data, then solves a constrained optimization to allocate budget. This fails in cold-start settings where little historical data exists. We propose Budget-Constrained Causal Bandits (BCCB), an online framework that learns which users respond to ads while simultaneously spending the budget. BCCB unifies three components: learning individual-level treatment effects, exploring users whose response is uncertain, and pacing the budget over time. We derive the per-arrival decision rule as the KKT condition of a Lagrangian relaxation of the budgeted causal-allocation objective, providing a principled foundation for the algorithm. We evaluate on the Criteo Uplift dataset using 20 random seeds with paired statistical tests. Our central finding is a data-efficiency crossover at n = 7,500 historical observations (paired one-sided t-test, p = 0.043): below this threshold, offline pipelines either fail or produce unreliable allocations, while BCCB operates from the first user. BCCB exhibits 2-4x lower run-to-run variance than offline methods and outperforms all four online baselines (Thompson Sampling, budgeted Thompson Sampling, HTE Greedy, and Uplifting Bandits) at every budget level tested (p < 0.001). These results give practitioners a concrete decision rule for choosing between offline and online paradigms.
Read the full abstract

2604.26169 · 28 Apr · 17 pages, 5 tables. v2: Expanded to 20 random seeds with paired statistical tests; formal crossover test at n=7,500 (p=0.043); added Uplifting Bandits (Hsieh et al., NeurIPS 2022) as fifth baseline; Lagrangian derivation of decision rule with Proposition 1; hyperparameter sensitivity analysis; corrected mathematical claims

Machine Learning · Cross-listed from cs.CL

Test-Time Safety Alignment

Recent work has shown that a model's input word embeddings can serve as effective control variables for steering its behavior toward outputs that satisfy desired properties. However, this has only been demonstrated for pretrained text-completion models on the relatively simple objective of reducing surface-level profanity in short continuations. A natural and practically important question is how well input embeddings can control aligned models, which produce an imbalanced bimodal refuse-or-comply output distribution rather than the smooth distribution characteristic of open-ended generation. We explore this in the context of safety, showing that input word embeddings can be optimized in a sub-lexical manner to minimize the semantic harmfulness of aligned model responses. Our approach uses zeroth-order gradient estimation of a black-box text-moderation API with respect to the input embeddings, and then applies gradient descent on these embeddings to minimize the harmfulness of the generated text. Experiments show that the proposed method can neutralize every safety-flagged response on standard safety benchmarks.
Read the full abstract

Machine Learning · Cross-listed from stat.ME

Fitting Large Nonlinear Mixed Effects Models Using Variational Expectation Maximization

Nonlinear Mixed Effects (NLME) models are widely used in pharmacometrics and related fields to analyze hierarchical and longitudinal data. However, as the number of parameters and random effects increases, traditional methods for maximizing the marginal likelihood become computationally expensive. This paper explores the Variational Expectation Maximization (VEM) algorithm, a scalable alternative for fitting NLME models. Originally introduced in the context of probabilistic graphical models and later popularized through variational autoencoders, VEM has not been extensively applied to NLME modeling. By leveraging flexible variational families and reverse-mode automatic differentiation, VEM can efficiently maximize the marginal likelihood, scaling to NLME models with over 15,000 population parameters. This work provides a detailed description of VEM, compares it to other NLME fitting algorithms, and highlights its scalability through computational experiments. Using the Pumas statistical software, we fit two test models: 1) a standard warfarin model, and 2) an unnecessarily over-parameterized DeepNLME Friberg model with 15,410 population parameters and 16 random effects. The warfarin model was fitted to completion to demonstrate the correctness of VEM, while the DeepNLME Friberg model instead demonstrates VEM's scalability on a toy but large model. VEM improves the log likelihood steadily over hundreds of iterations at a practical per-iteration cost, while FOCE fails to complete even one iteration within a day. The model is deliberately over-parameterized for its small dataset and over-fits it, so what this experiment establishes is that VEM optimizes the objective of a model of this size at a practical cost. Applying VEM to large models that are genuinely useful is left to future work.
Read the full abstract

Machine Learning · Cross-listed from physics.comp-ph

Mixture of Experts Framework in Machine Learning Interatomic Potentials for Atomistic Simulations

First-principles atomistic simulations are essential for understanding complex material phenomena but are fundamentally limited by their computational cost. While Machine Learning Interatomic Potentials (MLIPs) have drastically improved cost for a given accuracy, their inference cost remains a bottleneck for massive systems or long timescales. To address this, we introduce a multifidelity "Mixture-of-Experts" framework based on the E(3)-equivariant Allegro architecture. Our method spatially partitions the simulation domain into a chemically complex region (e.g., reactive interfaces) and a simple region (e.g., bulk lattice), assigning models of varying capacity to each. Among the challenges in such static domain decomposition, the mechanical mismatch between models at the interface is particularly critical, as it can generate artificial stress fields and instability. We address this challenge with a co-training strategy in which the loss function includes agreement constraints – penalties on per-atom energy and force discrepancies between models evaluated on shared bulk environments – forcing the independent models to learn a consistent physical description of the bulk material. We validate this approach on a realistic Pt+CO catalytic system, demonstrating that the co-trained models maintain exact energy conservation, align their bulk mechanical response (e.g., equation of state and bulk modulus), and achieve predictive accuracy comparable to a full high-fidelity simulation at more than twice the computational speed.
Read the full abstract

All authors Gabriel de Miranda Nascimento, Marc L. Descoteaux, Laura Zichi, Chuin Wei Tan, William C. Witt, Nicola Molinari, Sriteja Mantha, Daniil Kitchaev, Mordechai Kornbluth, Karim Gadelrab, Charles Tuffile, Boris Kozinsky

Machine Learning

Spatially-constrained clustering of geospatial features for heat vulnerability assessment of favelas in Rio de Janeiro

Informal settlements face disproportionate exposure to climate-related health hazards. However, existing methodologies lack systematic approaches to link diverse settlement characteristics with environmental health outcomes. We develop a data-driven framework to assess heat vulnerability in Rio de Janeiro's favelas by combining spatially-constrained clustering with land surface temperature (LST) analysis. Using remote sensing and geospatial features, we identify two distinct favela typologies: recent, well-connected settlements on flat terrain (Cluster 0) and historical, poorly-connected communities on vegetated slopes (Cluster 1). Analysis of 16 extreme heat events reveals systematic temperature differences of 2–3$^\circ$C between clusters, with flat-terrain favelas experiencing significantly higher heat exposure. Our findings demonstrate that settlement morphology critically influences heat vulnerability, providing a replicable framework for targeted urban planning and public health interventions in informal settlements globally.
Read the full abstract

All authors Baptiste Clemence, Thomas Hallopeau, Vanderlei Pascoal De Matos, Laurent Demagistri, Joris Guerin

Machine Learning · Cross-listed from eess.SP

Sparse Graph Learning from Sparse Data via Fiedler Number Maximization

We aim to learn a sparse and connected graph from sparse data, where the number of observations K can be substantially smaller than the signal dimension N for signals x in R^N, and the underlying distribution is unknown. In this severely ill-posed setting, we incorporate Fiedler number (the second eigenvalue of the graph Laplacian matrix that quantifies connectedness) as a robust regularization term in the sparse graph learning objective. We first develop a greedy algorithm that iteratively selects one edge globally for weakening/removal to reduce the objective, leveraging eigenvalue perturbation theorems that bound the adverse effect of an edge change to the Fiedler number. Next, we design a parallel variant, based on the Cheeger's inequality, that recursively partitions an input graph into two sub-graphs using an approximate Cheeger cut to distributedly find an optimal edge. Simulation experiments show that Fiedler number maximization robustifies sparse graph estimates, outperforming previous sparse graph learning algorithms.
Read the full abstract

Machine Learning

reward-lens: A Mechanistic Interpretability Library for Reward Models

Every RLHF-trained language model is shaped by a reward model, yet the mechanistic interpretability toolkit – logit lens, direct logit attribution, activation patching, sparse autoencoders – was built for generative LLMs whose primitives all project onto a vocabulary unembedding. Reward models replace that with a scalar regression head, breaking each tool. We present reward-lens, an open-source library that ports this toolkit to reward models, organised around one observation: the reward head's weight vector $w_r$ is the natural axis for every interpretability question. The library provides a Reward Lens, component attribution, three-mode activation patching, a reward-hacking probe suite, TopK SAE feature attribution, cross-model comparison, and five theory-grounded extensions (distortion index, divergence-aware patching, misalignment cascade detection, reward-term conflict analysis, concept-vector analysis). A ten-method adapter protocol covers Llama, Mistral, Gemma-2, and ArmoRM multi-objective heads, with a generic adapter for any HuggingFace sequence classification model. We validate on two production reward models across ~695 RewardBench pairs. The central empirical finding is negative: linear attribution does not predict causal patching effects (mean Spearman $\rho = -0.256$ on Skywork, $-0.027$ on ArmoRM). The framework treats this disagreement as a property to expose, not a bug – motivating a design that keeps observational and causal views first-class and directly comparable.
Read the full abstract

Machine Learning · Cross-listed from stat.ML

Robust Representation Learning through Explicit Environment Modeling

We consider learning from labeled data collected across multiple environments, where the data distribution may vary across these environments. This problem is commonly approached from a causal perspective, seeking invariant representations that retain causal factors while discarding spurious ones. However, this framework assumes that the environment has no direct effect on the target. In contrast, we consider settings in which this assumption fails, but still aim to learn representations that support robust prediction on average across previously unseen environments. To this end, we study representations learned by explicitly modeling variation across environments and then marginalizing that variation out. We analyze the resulting representations and characterize when they are preferable to those learned by causal invariant-representation methods. We propose a concrete method based on generalized random-intercept models, a class of predictors in which such marginalization is possible, and study their generalization properties. Empirically, we show that these models outperform invariant-learning methods across a range of challenging settings.
Read the full abstract

Machine Learning · Cross-listed from cs.CV

Sample Selection Using Multi-Task Autoencoders in Federated Learning with Non-IID Data

Federated learning is a machine learning paradigm in which multiple devices collaboratively train a model under the supervision of a central server while ensuring data privacy. However, its performance is often hindered by redundant, malicious, or abnormal samples, leading to model degradation and inefficiency. To overcome these issues, we propose novel sample selection methods for image classification, employing a multitask autoencoder to estimate sample contributions through loss and feature analysis. Our approach incorporates unsupervised outlier detection, using one-class support vector machine (OCSVM), isolation forest (IF), and adaptive loss threshold (AT) methods managed by a central server to filter noisy samples on clients. We also propose a multi-class deep support vector data description (SVDD) loss controlled by a central server to enhance feature-based sample selection. We validate our methods on CIFAR10 and MNIST datasets across varying numbers of clients, non-IID distributions, and noise levels up to 40%. The results show significant accuracy improvements with loss-based sample selection, achieving gains of up to 7.02% on CIFAR10 with OCSVM and 1.83% on MNIST with AT. Additionally, our federated SVDD loss further improves feature-based sample selection, yielding accuracy gains of up to 0.99% on CIFAR10 with OCSVM. These results show the effectiveness of our methods in improving model accuracy across various client counts and noise conditions.
Read the full abstract

Machine Learning · Cross-listed from cs.AR

AMMA: A Multi-Chiplet Memory-Centric Architecture for Low-Latency 1M Context Attention Serving

All current LLM serving systems place the GPU at the center, from production-level attention-FFN disaggregation to NVIDIA's Rubin GPU-LPU heterogeneous platform. Even academic PIM/PNM proposals still treat the GPU as the central hub for cross-device communication. Yet the GPU's compute-rich architecture is fundamentally mismatched with the memory-bound nature of decode-phase attention, inflating serving latency while wasting power and die area on idle compute units. The problem is compounded as reasoning and agentic workloads push context lengths toward one million tokens, making attention latency the primary user-facing bottleneck. To address these inefficiencies, we present AMMA, a multi-chiplet, memory-centric architecture for low-latency long-context attention. AMMA replaces GPU compute dies with HBM-PNM cubes, roughly doubling the available memory bandwidth to better serve memory-bound attention workloads. To translate this bandwidth into proportional performance gains, we introduce (i) a logic-die microarchitecture that fully exploits per-cube internal bandwidth for decode attention under a minimal power and area budget, (ii) a two-level hybrid parallelism scheme, and (iii) a reordered collective flow that reduces intra-chip die-to-die communication overhead. We further conduct a design-space exploration over per-cube compute power and intra-chip D2D link bandwidth, providing actionable guidance for hardware designers. Evaluations show that AMMA achieves 15.5X lower attention latency and 6.9X lower energy consumption compared with the NVIDIA H100.
Read the full abstract

All authors Zhongkai Yu, Haotian Ye, Chenyang Zhou, Ohm Rishabh Venkatachalam, Zaifeng Pan, Zhengding Hu, Junsung Kim, Won Woo Ro, Po-An Tsai, Shuyi Pei, Yangwook Kang, Yufei Ding

Machine Learning

Momentum-Conserving Graph Neural Networks for Deformable Objects

Graph neural networks (GNNs) have emerged as a versatile and efficient option for modeling the dynamic behavior of deformable materials. While GNNs generalize readily to arbitrary shapes, mesh topologies, and material parameters, existing architectures struggle to correctly predict the temporal evolution of key physical quantities such as linear and angular momentum. In this work, we propose MomentumGNN – a novel architecture designed to accurately track momentum by construction. Unlike existing GNNs that output unconstrained nodal accelerations, our model predicts per-edge stretching and bending impulses which guarantee the preservation of linear and angular momentum. We train our network in an unsupervised fashion using a physics-based loss, and we show that our method outperforms baselines in a number of common scenarios where momentum plays a pivotal role.
Read the full abstract

All authors Jiahong Wang, Logan Numerow, Stelian Coros, Christian Theobalt, Vahid Babaei, Bernhard Thomaszewski

Machine Learning · Cross-listed from cs.NI

CellTwin: Reproducible Cellular Network Emulation via High Resolution, in situ Measurement-Driven ML

Current and future applications demand ultra-low latency and consistent throughput, yet frequently traverse 5G cellular networks, so cope with volatile packet dynamics, as 5G base station schedulers dynamically react to user workloads and wireless channel conditions. The task of evaluating network algorithms in these environments is hamstrung by current tools: record-and-replay emulators sever the feedback interaction that exists between application end points and a commercial operator's proprietary 5G scheduler, while full-stack simulators rely on overly simplistic scheduling logic. To bridge this reality gap, we present NeuralEmu, a high-fidelity, machine learning-based emulation framework that learns complex 5G scheduler resource allocation behaviors directly from extremely high-resolution network telemetry tools. The first emulator to handle multiple clients, NeuralEmu utilizes machine learning to dynamically predict resource block allocations and modulation schemes based on instantaneous user buffer occupancy and channel states. To capture realistic cross-user contention, a traffic reconstruction model inverts cellular network scheduling results to recover the underlying traffic patterns of uncontrolled background users. Implemented as an high-performance Linux middlebox emulator, NeuralEmu reduces emulation error relative to the state of the art for various network applications including but not limited to 55% for web-page load time, 57% for WebRTC encoder bit rate, and 51% for cloud gaming packet one-way delay, providing an accurate, standardized testing ground for tomorrow's real-time interactive network protocols and applications.
Read the full abstract

Machine Learning

PPG-Based Affect Recognition with Long-Range Deep Models: A Measurement-Driven Comparison of CNN, Transformer, and Mamba Architectures

Photoplethysmography (PPG) is increasingly used in wearable affective computing due to its low cost and ease of integration into consumer devices. Recent advances in deep learning have introduced long-range sequence models, such as Transformers, and state-space models, like Mamba, which have demonstrated strong performance on natural language and general time-series tasks. However, it remains unclear whether these architectures offer tangible benefits over widely used Convolutional Neural Networks (CNNs) and Long Short-Term Memory (LSTMs) for PPG-based affect recognition, given that datasets are typically small and noisy. This work presents a measurement-driven comparison of four deep learning architectures, CNN, CNN-LSTM hybrid, Transformers, and Mamba, for classifying arousal, valence, and relaxation states from wrist-based PPG signals. All models are evaluated under a subject-independent 5-fold cross-validation protocol using identical preprocessing, segmentation, and training pipelines. Our results show that the Transformer and Mamba models achieve performance comparable to that of a CNN baseline, but do not consistently outperform it across all tasks. CNNs remain the most effective overall, providing the highest accuracy with the smallest model size, whereas Transformers have a better balance of F1 scores for Arousal and Relaxation. The study provides the first evaluation of Transformer and Mamba models for PPG-based affect recognition, offering practical guidance on model selection for wearable affective monitoring systems.
Read the full abstract

Machine Learning

Privacy-Preserving Federated Learning Framework for Distributed Chemical Process Optimization

Industrial chemical plants often operate under strict data confidentiality constraints, making centralized data-driven process modeling difficult. Federated learning (FL) provides a promising solution by enabling collaborative model training across distributed facilities without sharing raw operational data. This paper proposes a privacy-preserving federated learning framework for distributed chemical process optimization using data collected from multiple geographically separated plants. Each plant locally trains a neural-network-based process model using its own time-series sensor data, while only model parameters are transmitted to a central aggregation server through secure aggregation mechanisms. This design allows cross-plant knowledge sharing while maintaining strict data locality and industrial confidentiality. Experimental evaluation was conducted using process datasets from three independent chemical plants operating under heterogeneous conditions. The results demonstrate rapid convergence of the federated model, with the global mean squared error decreasing from approximately 2369 to below 50 within the first five communication rounds and stabilizing around 35 after 40 rounds. In comparison with local-only training, the proposed federated framework significantly improves prediction accuracy across all plants, while achieving performance comparable to centralized training. The findings indicate that federated learning provides an effective and scalable solution for collaborative industrial analytics, enabling privacy-preserving predictive modeling and process optimization across distributed chemical production facilities.
Read the full abstract

Machine Learning

Observable Neural ODEs for Identifiable Causal Forecasting in Continuous Time

Causal inference in continuous-time sequential decision problems is challenged by hidden confounding and partially observed states. We show that, under explicit structural assumptions, observability of the latent state enables identification of dynamic treatment effects through a continuous-time conditional front-door adjustment, even in the presence of hidden confounding. We derive a general adjustment formula and show that it reduces to a tractable state-space formula when unobserved contemporaneous disturbances are temporally uncorrelated. This formula expresses potential-outcome distributions under alternative treatment trajectories through the measurement model, latent dynamics, and the filtering distribution over latent states. We propose Observable Neural ODEs (ObsNODEs), Neural ODE models in observable normal form that implement this tractable adjustment for causal forecasting. ObsNODEs learn continuous-time dynamics with states reconstructible from observations, enabling outcome prediction under alternative treatment paths. Experiments on synthetic, semi-synthetic, and real-world clinical data demonstrate strong performance over recent sequence models, including external validation.
Read the full abstract

Machine Learning · Cross-listed from cs.DS

Incremental Strongly Connected Components with Predictions

Algorithms with predictions is a growing area that aims to leverage machine-learned predictions to design faster beyond-worst-case algorithms. In this paper, we use this framework to design a learned data structure for the incremental strongly connected components (SCC) problem. In this problem, the $n$ vertices of a graph are known a priori and the $m$ directed edges arrive over time. The goal is to efficiently maintain the strongly connected components of the graph after each insert. Our algorithm receives a possibly erroneous prediction of the edge sequence and uses it to precompute partial solutions to support fast inserts. We show that our algorithm achieves nearly optimal bounds with good predictions and its performance smoothly degrades with the prediction error. We also implement our data structure and perform experiments on real datasets. Our empirical results show that the theory is predictive of practical runtime improvements.
Read the full abstract

All authors Ronald Deng, Samuel McCauley, Aidin Niaparast, Helia Niaparast, Bennett Ptak, Shirel Quintanilla, Shikha Singh, Nathan Vosburg

Machine Learning · Cross-listed from eess.AS

Similarity Choice and Negative Scaling in Supervised Contrastive Learning for Deepfake Audio Detection

Supervised contrastive learning (SupCon) is widely used to shape representations, but has seen limited targeted study for audio deepfake detection. Existing work typically combines contrastive terms with broader pipelines; however, the focus on SupCon itself is missing. In this work, we run a controlled study on wav2vec2 XLS-R (300M) that varies (i) similarity in SupCon (cosine vs angular similarity derived from the hyperspherical angle) and (ii) negative scaling using a warm-started global cross-batch queue. Stage 1 fine-tunes the encoder and projection head with SupCon; Stage 2 freezes them and trains a linear classifier with BCE. Trained on ASVspoof 2019 LA and evaluated on ASV19 eval plus ITW and ASVspoof 2021 DF/LA, Cosine SupCon with a delayed queue achieves the best ITW EER (8.29%) and pooled EER (4.44), while angular similarity performs strongly without queued negatives (ITW 8.70), indicating reduced reliance on large negative sets.
Read the full abstract

All authors Jaskirat Sudan, Hashim Ali, Surya Subramani, Hafiz Malik

Machine Learning

RaMP: Runtime-Aware Megakernel Polymorphism for Mixture-of-Experts

LLM serving systems autotune their GPU kernels offline by timing candidate kernel configurations, like tile sizes, at a range of batch sizes. This works when the number of tokens determines a kernel's work, as in dense layers. However, we show that it does not hold for Mixture-of-Experts (MoE) layers where the router decides how the tokens are split across experts and GPUs. We find that the best kernel configuration depends on this split, and not only on the number of tokens–under expert parallelism, choosing the configuration for each GPU's actual token distribution is up to 1.45x faster than the existing choice. The split is not known until the router runs, so it cannot be looked up in advance. Hence, we introduce RaMP, which chooses the kernel configuration at run time from the routing split itself. RaMP compiles top configurations into one polymorphic kernel, and a small cost model on the GPU picks among them in a few microseconds. On serving traffic its cost model was never fit on, the configurations RaMP's cost model chooses from the kernel's full configuration space are up to 1.45x faster than those vLLM's offline autotuner picks for the same kernel on batches of 128 tokens or more (1.27x over all batches), and within 3.5% of an exhaustive search that times every configuration. RaMP's kernel and choice together make the MoE layer up to 1.84x faster than vLLM's Triton MoE on batches of 128 tokens or more. In vLLM, under both tensor and expert parallelism, RaMP lowers time per output token by up to 1.11x over the fastest stock MoE backend.
Read the full abstract

Machine Learning

Correcting Performance Estimation Bias in Imbalanced Classification with Minority Subconcepts

Class-level evaluation can conceal substantial performance disparities across subconcepts within the same class, causing models that perform well on average to fail on specific subpopulations. Prior work has shown that common evaluation measures for imbalanced classification are biased toward larger minority subconcepts and that utility-based reweighting using true subconcept labels can mitigate this bias; however, such labels are rarely available at test time. We introduce a practical utility-weighted evaluation that replaces unavailable subconcept labels with predicted posterior probabilities from a multiclass subconcept model. Evaluation weights are defined as the expected utility under this posterior, yielding a soft, uncertainty-aware metric we call predicted-weighted balanced accuracy (pBA). Experiments on tabular benchmarks as well as medical-imaging and text datasets show that unweighted scores can be misleading under within-class heterogeneity, while pBA provides more stable and interpretable assessments when subconcept distributions are uneven but not pathological. Our code is available at: https://anonymous.4open.science/r/correcting-bias-imbalance-9C6C/.
Read the full abstract

All authors Taylor Maxson, Roberto Corizzo, Yaning Wu, Nathalie Japkowicz, Colin Bellinger

Machine Learning · Cross-listed from cond-mat.str-el

QERNEL: a Scalable Large Electron Model

We introduce QERNEL, a foundational neural wavefunction that variationally solves families of parameterized many-electron Hamiltonians and captures their ground states throughout parameter space within a single model. QERNEL combines FiLM-based parameter conditioning with scale-efficient architectural elements – mixture of experts and grouped-query attention, substantially improving expressivity at low computational cost. We apply QERNEL to interacting electrons in semiconductor moiré heterobilayers, training a single weight-shared model for systems of up to 150 electrons. By solving the many-electron Schrödinger equation conditioned on moiré potential depth, QERNEL captures both quantum liquid and crystal states and discovers the sharp phase transition between them, marked by abrupt changes in interaction energy and charge density. Our work establishes a foundation model for moiré quantum materials and a scalable architecture toward a Large Electron Model for solids.
Read the full abstract

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

Learning Neural Operator Surrogates for the Black Hole Accretion Code

General-relativistic magnetohydrodynamic (GR-MHD) simulations are essential for studying black hole accretion, relativistic jets, and magnetic reconnection, yet their computational cost severely limits systematic parameter exploration. We investigate neural operator surrogates for two astrophysically relevant simulation scenarios produced by the Black Hole Accretion Code (BHAC). First, a Physics Informed Fourier Neural Operator (PINO) is trained on the special-relativistic resistive MHD (SRRMHD) evolution of the Orszag-Tang vortex over a range of resistivities spanning the Sweet-Parker and fast reconnection regimes. By embedding the governing equations as an additional loss term evaluated at finer temporal resolution than the available data supervision, the model learns dynamics at time steps where no simulation data is provided, enabling recovery of plasmoid formation that a data-only baseline trained on the same sparse snapshots fails to reproduce. To our knowledge, the present work is the first application of a physics informed neural operator to special relativistic resistive MHD, and the first to investigate the capability of such models to resolve plasmoid formation in SRRMHD. In a second line of investigation, an OFormer-style Transformer Neural Operator is trained on the evolution of spine-sheath relativistic jets created with BHAC, in special-relativistic MHD (SRMHD). The model is directly applied on the adaptive mesh, highlighting the need for linear attention due to long sequences. The neural surrogate model is capable of capturing most of the major details, especially in early predictions. To our knowledge, this constitutes the first application of a neural operator directly on a high resolution adaptive mesh refinement grid in the context of MHD simulations.
Read the full abstract

All authors Matthias Nägele, Cedric Bös, Chester Tan, Christian M. Fromm, Ingo Scholtes, Karl Mannheim

Machine Learning · Cross-listed from stat.ML

Occam's Razor is Only as Sharp as Your ELBO

The marginal likelihood, also known as the evidence, is regarded as a mathematical embodiment of Occam's razor, enabling hyperparameter selection that avoids overfitting. The evidence lower bound (ELBO) objective from variational inference has also been used for similar purposes. In this paper, we define a signal-to-noise ratio (SNR) for Bayesian linear regression in terms of key hyperparameters controlling signal and noise variance. We then study how ELBO-based hyperparameter learning can under or overestimate SNR depending on the assumed covariance matrix structure in a Gaussian approximate posterior. We prove that assuming a diagonal or low-rank plus diagonal covariance matrix underestimates the SNR, while a low-rank covariance matrix overestimates the SNR. Underestimating the SNR leads to higher than optimal mean squared error on the training set (underfitting), while overestimating SNR leads to lower error (overfitting). Bayesian practitioners hoping to scale to large models should be cautious about how covariance assumptions needed for tractability may impact model selection.
Read the full abstract

Machine Learning

Open Problems in Frontier AI Risk Management

Frontier AI both amplifies existing risks and introduces qualitatively novel challenges. Not only is there a notable lack of stable scientific consensus resulting from the rapid pace of technological change, but emerging frontier AI safety practices are often misaligned with, or may undermine, established risk management frameworks. To address these challenges, we systematically surface open problems in frontier AI risk management. Adopting a problem-oriented approach, we examine each stage of the risk management process - risk planning, identification, analysis, evaluation, and mitigation - through a structured review of the literature, identifying unresolved challenges and the actors best positioned to address them. Recognising that different types of open problems call for different responses, we classify open problems according to whether they reflect (a) a lack of scientific or technical consensus, (b) misalignment with, or challenges to, established risk management frameworks, or (c) shortcomings in implementation despite apparent consensus and alignment. By mapping these open problems and identifying the actors best positioned to address them - including developers, deployers, regulators, standards bodies, researchers, and third-party evaluators - this work aims to clarify where progress is needed to enable robust and meaningful consensus on frontier AI risk management.The paper does not propose specific solutions; instead, it provides a problem-oriented, agenda-setting reference document, complemented by a living online repository, intended to support coordination, reduce duplication, and guide future research and governance efforts.
Read the full abstract

All authors Marta Ziosi, Miro Plueckebaum, Stephen Casper, Henry Papadatos, Ze Shen Chin, Peter Slattery, James Gealy, Tim G. J. Rudner, Brian Tse, Ariel Gil, Patricia Paskov, Maximilian Negele, Rokas Gipiškis, Nada Madkour, Vera Lummis, Rupal Jain, Luise Eder, Kristina Fort, Malou C. van Draanen Glismann, Inès Belhadj, Amin Oueslati, Anna K. Wisakanto, Richard Mallah, Koen Holtman, Ranj Zuhdi, Daniel S. Schiff, Jessica Newman, Malcolm Murray, Robert Trager

Machine Learning

Mini-Batch Class Composition Bias in Link Prediction

Prior work on node classification has shown that Graph Neural Networks (GNNs) can learn representations that transfer across graphs, when underlying graph properties are shared. For a fixed graph, one would then expect GNNs trained for link prediction to learn a representation consistent with that learnt for node classification. We show this intuition does not hold in the general case. Instead, we find popular link prediction models can learn a trivial mini-batch dependent heuristic, enabled by batch-normalisation layers, to solve the edge classification task. When correcting for this, we observe increased alignment of the network representation with node-class relevant features, suggesting the network has learnt a graph representation that better aligns with the underlying graph's properties. Our findings suggest that standard link prediction training may be leading us to overestimate link predictors' ability to learn a generalised representation of a graph that is consistent across tasks.
Read the full abstract

Machine Learning · Cross-listed from econ.EM

Auditing Marketing Budget Allocation with Hindsight Regret

Organizations routinely make strategic budget allocations under operational constraints, but often lack a principled way to assess whether realized allocations were close to the best feasible choices in hindsight. We present a retrospective auditing framework based on hindsight regret, defined as the opportunity cost of the realized allocation relative to a constraint-faithful benchmark under the same budget and stability guardrails. The framework estimates regime-specific spend–response functions from historical logs, computes feasible hindsight allocations via constrained optimization, and propagates uncertainty through Monte Carlo evaluation to produce regret distributions, expected lift, and probability-of-improvement summaries. This separates allocation inefficiency from uncertainty in the estimated response surfaces. Experiments on real marketing allocation logs show that the framework yields interpretable post-hoc diagnostics and reveals a practical trade-off between allocation flexibility and detectability: moderate feasible reallocations often capture most measurable gain, while larger shifts move into weak-support regions with higher uncertainty. The result is a practical method for auditing historical budget decisions when online experimentation is costly or infeasible.
Read the full abstract

Machine Learning

Rethinking KV Cache Eviction via a Unified Information-Theoretic Objective

Key-Value (KV) caching is essential for large language model inference, yet its memory overhead poses a critical bottleneck for long-context generation. Existing eviction policies predominantly rely on empirical heuristics, lacking a rigorous theoretical foundation. This work rethinks KV cache eviction through the lens of the Information Bottleneck principle. Under a linear-Gaussian surrogate of attention, we derive a closed-form mutual information objective that characterizes the effective information capacity of a retained KV cache subset. This formulation reveals that a wide range of existing eviction strategies can be interpreted as different approximations of the same capacity-maximization principle. Guided by this insight, we introduce CapKV, a capacity-aware eviction method that directly targets information preservation via a log-determinant approximation using statistical leverage scores. This approach replaces heuristic selection with a theoretically grounded mechanism that preserves the maximum predictive signal. Extensive experiments across multiple models and long-context benchmarks show that CapKV consistently outperforms prior methods, achieving a better trade-off between memory efficiency and generational fidelity. Our code is available at https://github.com/jiamingyy/CapKV
Read the full abstract

All authors Jiaming Yang, Chenwei Tang, Liangli Zhen, Jiancheng Lv

Machine Learning

A Survey of Multi-Agent Deep Reinforcement Learning with Graph Neural Network-Based Communication

In multi-agent reinforcement learning (MARL), the integration of a communication mechanism, allowing agents to better learn to coordinate their actions and converge on their objectives by sharing information. Based on an interaction graph, a subclass of methods employs graph neural networks (GNNs) to learn the communication, enabling agents to improve their internal representations by enriching them with information exchanged. With growing research, we note a lack of explicit structure and framework to distinguish and classify MARL approaches with communication based on GNNs. Thus, this paper surveys recent works in this field. We propose a generalized GNN-based communication process with the goal of making the underlying concepts behind the methods more obvious and accessible.
Read the full abstract