Machine Learning
Focus Session: Hardware and Software Techniques for Accelerating Multimodal Foundation Models
Muhammad Shafique, Abdul Basit, Muhammad Abdullah Hanif et al. (+3 more)
This work presents a multi-layered methodology for efficiently accelerating
multimodal foundation models (MFMs). It combines hardware and software co-design of
transformer blocks with an optimization pipeline that reduces computational and
memory requirements. During model development, it employs performance enhancements through fine-tuning for domain-specific adaptation. Our methodology further incorporates hardware and software techniques for optimizing MFMs. Specifically, it employs MFM compression using hierarchy-aware mixed-precision quantization and structural
pruning for
transformer blocks and MLP channels. It also optimizes operations through speculative decoding, model cascading that routes queries through a small-to-large cascade and uses lightweight self-tests to determine when to escalate to larger models, as well as co-optimization of sequence length, visual resolution & stride, and graph-level operator fusion. To efficiently execute the model, the processing dataflow is optimized based on the underlying hardware architecture together with
memory-efficient
attention to meet on-chip bandwidth and latency budgets. To support this, a specialized hardware accelerator for the
transformer workloads is employed, which can be developed through expert design or an LLM-aided design approach. We demonstrate the effectiveness of the proposed methodology on medical-MFMs and on code generation tasks, and conclude with extensions toward energy-efficient spiking-MFMs.
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All authors Muhammad Shafique, Abdul Basit, Muhammad Abdullah Hanif, Alberto Marchisio, Rachmad Vidya Wicaksana Putra, Minghao Shao
Machine Learning · Cross-listed from cs.SE
Feedback Over Form: Why Execution Feedback Matters More Than Pipeline Topology in 1-3B Code Generation
Charles Junichi McAndrews
Small
language models (1-3B) are practical to run locally, but individually limited on harder code generation tasks. We ask whether composing them into pipelines can recover some of that lost capability. We study code generation pipelines built from 1-3B models with execution feedback, and use a NEAT-inspired evolutionary search to test whether more complex pipeline structure helps beyond a simple refinement loop. We evaluate on HumanEval (164 problems) and sanitized MBPP (427 problems), all with local inference on a single laptop. Self-refinement with execution feedback improves code generation by more than 4 standard deviations on both
benchmarks. The gains are narrow in mechanism: refinement fixes many runtime errors (especially NameError and SyntaxError), but rarely fixes logic errors such as AssertionError. Within our tested general-purpose model pool, generator identity mattered less than refiner capability: a 1.5B generator paired with a 3B refiner matched a 3B model doing both roles. Early stopping is essential; without it, every iteration is net-negative. The code-specialized models outperform every general-purpose pipeline configuration, suggesting model specialization matters more than pipeline architecture. Preliminary text-only pipeline experiments without execution feedback did not show gains at this scale. In our constrained search space, evolutionary search mostly rediscovered the same simple generate-execute-refine loop we found manually, with no clearly significant gain from added
topology. Single-evaluation fitness inflates results by 5-7 percent, selecting lucky genomes over good ones. On these
benchmarks at 1-3B scale, execution feedback mattered more than added pipeline complexity in determining whether composition helped.
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Machine Learning
Temporal Taskification in Streaming Continual Learning: A Source of Evaluation Instability
Nicolae Filat, Ahmed Hussain, Konstantinos Kalogiannis et al. (+1 more)
Streaming Continual Learning (CL) typically converts a continuous stream into a sequence of discrete tasks through temporal partitioning. We argue that this temporal taskification step is not a neutral preprocessing choice, but a structural component of evaluation: different valid splits of the same stream can induce different CL regimes and therefore different
benchmark conclusions. To study this effect, we introduce a taskification-level framework based on plasticity and stability profiles, a profile distance between taskifications, and Boundary-Profile Sensitivity (BPS), which diagnoses how strongly small boundary perturbations alter the induced regime before any CL model is trained. We evaluate continual finetuning, Experience Replay, Elastic Weight Consolidation, and Learning without Forgetting on network traffic
forecasting with CESNET-Timeseries24, keeping the stream, model, and training budget fixed while varying only the temporal taskification. Across 9-, 30-, and 44-day splits, we observe substantial changes in
forecasting error, forgetting, and backward transfer, showing that taskification alone can materially affect CL evaluation. We further find that shorter taskifications induce noisier distribution-level patterns, larger structural distances, and higher BPS, indicating greater sensitivity to boundary perturbations. These results show that
benchmark conclusions in streaming CL depend not only on the learner and the data stream, but also on how that stream is taskified, motivating temporal taskification as a first-class evaluation variable.
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All authors Nicolae Filat, Ahmed Hussain, Konstantinos Kalogiannis, Elena Burceanu
Machine Learning
Same Methods, Different Rankings: Trainable Depth as an Evaluation Variable in Continual Learning
Paul-Tiberiu Iordache, Elena Burceanu and Mihai Dascalu
Continual learning (CL) examines how models learn a sequence of tasks while retaining previously learned knowledge. Despite substantial progress in benchmarking CL methods, comparative evaluations typically keep the fine-tuning regime fixed. In this paper, we argue that the fine-tuning regime, defined by the trainable parameter subspace, is itself a key evaluation variable. We formalize adaptation regimes as projected optimization over fixed trainable subspaces, showing that changing the trainable depth alters the effective update signal through which both current task fitting and knowledge preservation operate. This analysis motivates the hypothesis that method comparisons need not be invariant across regimes. We test this hypothesis in task incremental CL while considering 5 trainable depth regimes and 5 standard methods: online EWC, LwF, SI, GEM, and DER. We find that the relative ranking of methods is not consistently preserved across regimes when evaluating across 5
benchmark datasets, namely MNIST, Fashion MNIST, KMNIST, QMNIST, and CIFAR-100, and across 11 task orders per
dataset. We further show that deeper adaptation regimes are associated with larger update magnitudes, higher forgetting, and a stronger relationship between the two. These results show that comparative conclusions in CL can depend strongly on the chosen fine-tuning regime, motivating regime-aware evaluation protocols that treat trainable depth as an explicit experimental factor.
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Machine Learning
The Sample Complexity of Multicalibration
Natalie Collina, Jiuyao Lu, Georgy Noarov et al. (+1 more)
We study the minimax sample complexity of multicalibration in the batch setting. A learner observes $n$ i.i.d. samples from an unknown distribution and must output a (possibly randomized) predictor whose population multicalibration error, measured by Expected Calibration Error (ECE), is at most $\varepsilon$ with respect to a given family of groups. For every fixed $\kappa > 0$, in the regime $|G|\le \varepsilon^{-\kappa}$, we prove that $\widetilde{\Theta}(\varepsilon^{-3})$ samples are necessary and sufficient, up to polylogarithmic factors. The lower bound holds even for randomized predictors, and the upper bound is realized by a randomized predictor obtained via an online-to-batch reduction. This separates the sample complexity of multicalibration from that of marginal calibration, which scales as $\widetilde{\Theta}(\varepsilon^{-2})$, and shows that mean-ECE multicalibration is as difficult in the batch setting as it is in the online setting, in contrast to marginal calibration which is strictly more difficult in the online setting. In contrast we observe that for $\kappa = 0$, the sample complexity of multicalibration remains $\widetilde{\Theta}(\varepsilon^{-2})$ exhibiting a sharp threshold phenomenon. More generally, we establish matching upper and lower bounds, up to polylogarithmic factors, for a weighted $L_p$ multicalibration metric for all $1 \le p \le 2$, with optimal exponent $3/p$. We also extend the lower-bound template to a regular class of elicitable properties, and combine it with the online upper bounds of Hu et al. (2025) to obtain matching bounds for calibrating properties including expectiles and bounded-density
quantiles.
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All authors Natalie Collina, Jiuyao Lu, Georgy Noarov, Aaron Roth
Machine Learning · Cross-listed from cs.CV
Pegah Khayatan, Jayneel Parekh, Arnaud Dapogny et al. (+3 more)
Despite impressive progress in capabilities of large
vision-
language models (LVLMs), these systems remain vulnerable to
hallucinations, i.e., outputs that are not grounded in the visual input. Prior work has attributed
hallucinations in LVLMs to factors such as limitations of the
vision backbone or the dominance of the
language component, yet the relative importance of these factors remains unclear. To resolve this ambiguity, We propose HalluScope, a
benchmark to better understand the extent to which different factors induce
hallucinations. Our analysis indicates that
hallucinations largely stem from excessive reliance on textual priors and background knowledge, especially information introduced through textual instructions. To mitigate
hallucinations induced by textual instruction priors, we propose HalluVL-DPO, a framework for fine-tuning off-the-shelf LVLMs towards more visually grounded responses. HalluVL-DPO leverages preference optimization using a curated training
dataset that we construct, guiding the model to prefer grounded responses over hallucinated ones. We demonstrate that our optimized model effectively mitigates the targeted
hallucination failure mode, while preserving or improving performance on other
hallucination benchmarks and visual capability evaluations. To support reproducibility and further research, we will publicly release our evaluation
benchmark, preference training
dataset, and code at https://pegah-kh.github.io/projects/
prompts-override-
vision/ .
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All authors Pegah Khayatan, Jayneel Parekh, Arnaud Dapogny, Mustafa Shukor, Alasdair Newson, Matthieu Cord
Machine Learning
Low-Rank Adaptation Redux for Large Models
Bingcong Li, Yilang Zhang and Georgios B. Giannakis
Low-rank adaptation (LoRA) has emerged as the de facto standard for parameter-efficient fine-tuning (PEFT) of foundation models, enabling the adaptation of billion-parameter networks with minimal computational and
memory overhead. Despite its empirical success and rapid proliferation of variants, it remains elusive which architectural choices, optimization techniques, and deployment constraints should guide practical method selection. This overview revisits LoRA through the lens of signal processing (SP), bridging modern adapter designs with classical low-rank modeling tools and inverse problems, as well as highlighting how SP principles can inform principled advances of fine-tuning approaches. Rather than providing a comprehensive enumeration and empirical comparisons of LoRA variants, emphasis is placed on the technical mechanisms underpinning these approaches to justify their effectiveness. These advances are categorized into three complementary axes: architectural design, efficient optimization, and pertinent applications. The first axis builds on singular value decomposition (SVD)-based factorization, rank-augmentation constructions, and cross-layer tensorization, while the second axis deals with initialization, alternating solvers, gauge-invariant optimization, and parameterization-aware methods. Beyond fine-tuning, emerging applications of LoRA are accounted across the entire lifecycle of large models, ranging from pre- and post-training to serving/deployment. Finally, open research directions are outlined at the confluence of SP and deep learning to catalyze a bidirectional frontier: classical SP tools provide a principled vocabulary for designing principled PEFT methods, while the unique challenges facing modern deep learning, especially the overwhelming scale and prohibitive overhead, also offer new research lines benefiting the SP community in return.
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Machine Learning
A Scale-Adaptive Framework for Joint Spatiotemporal Super-Resolution with Diffusion Models
Max Defez, Filippo Quarenghi, Mathieu Vrac et al. (+2 more)
Deep-learning
video super-resolution has progressed rapidly, but
climate applications typically super-resolve (increase resolution) either space or time, and joint spatiotemporal models are often designed for a single pair of super-resolution (SR) factors (upscaling spatial and temporal ratio between the low-resolution sequence and the high-resolution sequence), limiting transfer across spatial resolutions and temporal cadences (frame rates). We present a scale-adaptive framework that reuses the same architecture across factors by decomposing spatiotemporal SR into a deterministic prediction of the conditional mean, with
attention, and a residual conditional
diffusion model, with an optional mass-conservation (same precipitation amount in inputs and outputs) transform to preserve aggregated totals. Assuming that larger SR factors primarily increase underdetermination (hence required context and residual uncertainty) rather than changing the conditional-mean structure, scale adaptivity is achieved by retuning three factor-dependent hyperparameters before retraining: the
diffusion noise schedule amplitude beta (larger for larger factors to increase diversity), the temporal context length L (set to maintain comparable
attention horizons across cadences) and optionally a third, the mass-conservation function f (tapered to limit the amplification of extremes for large factors). Demonstrated on reanalysis precipitation over France (Comephore), the same architecture spans super-resolution factors from 1 to 25 in space and 1 to 6 in time, yielding a reusable architecture and tuning recipe for joint spatiotemporal super-resolution across scales.
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All authors Max Defez, Filippo Quarenghi, Mathieu Vrac, Stephan Mandt, Tom Beucler
Machine Learning · Cross-listed from stat.ML
Revealing Geography-Driven Signals in Zone-Level Claim Frequency Models: An Empirical Study using Environmental and Visual Predictors
Sherly Alfonso-Sánchez, Cristián Bravo and Kristina G. Stankova
Geographic context is often consider relevant to motor insurance risk, yet public actuarial
datasets provide limited location identifiers, constraining how this information can be incorporated and evaluated in claim-frequency models. This study examines how geographic information from alternative data sources can be incorporated into actuarial models for Motor Third Party Liability (MTPL) claim prediction under such constraints. Using the BeMTPL97
dataset, we adopt a zone-level modeling framework and evaluate predictive performance on unseen postcodes. Geographic information is introduced through two channels: environmental indicators from OpenStreetMap and CORINE Land Cover, and orthoimagery released by the Belgian National Geographic Institute for academic use. We evaluate the predictive contribution of coordinates, environmental features, and image
embeddings across three baseline models: generalized linear models (GLMs), regularized GLMs, and gradient-boosted trees, while raw imagery is modeled using convolutional neural networks. Our results show that augmenting actuarial variables with constructed geographic information improves accuracy. Across experiments, both linear and tree-based models benefit most from combining coordinates with environmental features extracted at 5 km scale, while smaller neighborhoods also improve baseline specifications. Generally, image
embeddings do not improve performance when environmental features are available; however, when such features are absent, pretrained
vision-
transformer embeddings enhance accuracy and stability for regularized GLMs. Our results show that the predictive value of geographic information in zone-level MTPL frequency models depends less on model complexity than on how geography is represented, and illustrate that geographic context can be incorporated despite limited individual-level spatial information.
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Machine Learning · Cross-listed from cs.CL
TingIS: Real-time Risk Event Discovery from Noisy Customer Incidents at Enterprise Scale
Jun Wang, Ziyin Zhang, Rui Wang et al. (+3 more)
Real-time detection and mitigation of technical anomalies are critical for large-scale cloud-native services, where even minutes of downtime can result in massive financial losses and diminished user trust. While customer incidents serve as a vital signal for discovering risks missed by monitoring, extracting actionable intelligence from this data remains challenging due to extreme noise, high throughput, and semantic complexity of diverse business lines. In this paper, we present TingIS, an end-to-end system designed for enterprise-grade incident discovery. At the core of TingIS is a multi-stage event linking engine that synergizes efficient indexing techniques with Large
Language Models (LLMs) to make informed decisions on event merging, enabling the stable extraction of actionable incidents from just a handful of diverse user descriptions. This engine is complemented by a cascaded routing mechanism for precise business attribution and a multi-dimensional noise reduction pipeline that integrates domain knowledge, statistical patterns, and behavioral filtering. Deployed in a production environment handling a peak throughput of over 2,000 messages per minute and 300,000 messages per day, TingIS achieves a P90 alert latency of 3.5 minutes and a 95% discovery rate for high-priority incidents.
Benchmarks constructed from real-world data demonstrate that TingIS significantly outperforms baseline methods in routing accuracy, clustering quality, and Signal-to-Noise Ratio.
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All authors Jun Wang, Ziyin Zhang, Rui Wang, Hang Yu, Peng Di, Rui Wang
Machine Learning · Cross-listed from physics.ed-ph
Locating acts of mechanistic reasoning in student team conversations with mechanistic machine learning
Kaitlin Gili, Mainak Nistala, Kristen Wendell et al. (+1 more)
STEM education researchers are often interested in identifying moments of students' mechanistic
reasoning for deeper analysis, but have limited capacity to search through many team conversation transcripts to find segments with a high concentration of such
reasoning. We offer a solution in the form of an interpretable machine learning model that outputs time-varying probabilities that individual students are engaging in acts of mechanistic
reasoning, leveraging evidence from their own utterances as well as contributions from the rest of the group. Using the toolkit of intentionally-designed probabilistic models, we introduce a specific inductive bias that steers the probabilistic dynamics toward desired, domain-aligned behavior. Experiments compare trained models with and without the inductive bias components, investigating whether their presence improves the desired model behavior on transcripts involving never-before-seen students and a novel discussion context. Our results show that the inductive bias improves generalization – supporting the claim that interpretability is built into the model for this task rather than imposed post hoc. We conclude with practical recommendations for STEM education researchers seeking to adopt the tool and for ML researchers aiming to extend the model's design. Overall, we hope this work encourages the development of mechanistically interpretable models that are understandable and controllable for both end users and model designers in STEM education research.
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All authors Kaitlin Gili, Mainak Nistala, Kristen Wendell, Michael C. Hughes
Machine Learning · Cross-listed from quant-ph
Replay-buffer engineering for noise-aware quantum circuit optimization
Akash Kundu and Sebastian Feld
Deep reinforcement learning for
quantum circuit optimization faces three bottlenecks: replay buffers that overlook temporal difference (TD) target reliability, curriculum-based architecture search requiring a full
quantum-classical evaluation after every edit, and the discard of noiseless trajectories when retraining under hardware noise. We address these limitations by treating replay as a central algorithmic lever. We introduce ReaPER+, an annealed replay rule that transitions from TD-error prioritization to reliability-aware sampling as value estimates mature. ReaPER+ achieves up to 4x higher sample efficiency than fixed PER, ReaPER, and uniform replay, while matching prior on-policy solution quality with up to 32x fewer interactions At 12
qubits, fixed ReaPER reaches the lowest energy error in the fewest steps, while PER and uniform replay find more compact
circuits at higher error. On tasks scaling to 20
qubits, ReaPER+ retains its advantage, demonstrating that reliability-aware annealing extends beyond small-system
benchmarks. LunarLander-v3 confirms that the ReaPER+ is domain-agnostic, it improves success rates by up to 26.8% over PER and 21.8% over fixed ReaPER, with a 3% AUC gain over both. We further introduce OptCRLQAS, which amortizes
quantum-classical evaluations across multiple architectural edits, reducing training wall-clock time by up to 67.5% on 12-
qubit without degrading solution quality. Finally, lightweight replay-buffer transfer warm-starts noisy optimization from noiseless trajectories, without weight transfer or $\epsilon$-greedy pretraining, reducing steps to chemical accuracy by 85-90% and final energy error by up to 90% relative to from-scratch learning. Transfer gains increase with system size. Together, these results establish experience storage, sampling, and transfer as decisive levers for sample efficient, noise-aware
quantum circuit optimization.
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Machine Learning · Cross-listed from stat.ML
Beyond Expected Information Gain: Stable Bayesian Optimal Experimental Design with Integral Probability Metrics and Plug-and-Play Extensions
Di Wu, Ling Liang and Haizhao Yang
Bayesian Optimal Experimental Design (BOED) provides a rigorous framework for decision-making tasks in which data acquisition is often the critical bottleneck, especially in resource-constrained settings. Traditionally, BOED typically selects designs by maximizing expected information gain (EIG), commonly defined through the Kullback-Leibler (KL) divergence. However, classical evaluation of EIG often involves challenging nested expectations, and even advanced variational methods leave the underlying log-density-ratio objective unchanged. As a result, support mismatch, tail underestimation, and rare-event sensitivity remain intrinsic concerns for KL-based BOED. To address these fundamental bottlenecks, we introduce an IPM-based BOED framework that replaces density-based divergences with integral probability metrics (IPMs), including the Wasserstein distance, Maximum Mean Discrepancy, and Energy Distance, resulting in a highly flexible plug-and-play BOED framework. We establish theoretical guarantees showing that IPM-based utilities provide stronger geometry-aware stability under surrogate-model error and prior misspecification than classical EIG-based utilities. We also validate the proposed framework empirically, demonstrating that IPM-based designs yield highly concentrated credible sets. Furthermore, by extending the same sample-based BOED template in a plug-and-play manner to geometry-aware discrepancies beyond the IPM class, illustrated by a neural optimal transport
estimator, we achieve accurate optimal designs in high-dimensional settings where conventional nested Monte Carlo
estimators and advanced variational methods fail.
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Machine Learning
GFlowState: Visualizing the Training of Generative Flow Networks Beyond the Reward
Florian Holeczek, Andreas Hinterreiter, Alex Hernandez-Garcia et al. (+2 more)
We present GFlowState, a visual analytics system designed to illuminate the training process of Generative Flow Networks (GFlowNets or GFNs). GFlowNets are a probabilistic framework for generating samples proportionally to a reward function. While GFlowNets have proved to be powerful tools in applications such as molecule and material discovery, their training dynamics remain difficult to interpret. Standard machine learning tools allow metric tracking but do not reveal how models explore the sample space, construct sample trajectories, or shift sampling probabilities during training. Our solution, GFlowState, allows users to analyze sampling trajectories, compare the sample space relative to reference
datasets, and analyze the training dynamics. To this end, we introduce multiple views, including a chart of candidate rankings, a state projection, a node-link diagram of the trajectory network, and a transition heatmap. These visualizations enable GFlowNet developers and users to investigate sampling behavior and policy
evolution, and to identify underexplored regions and sources of training failure. Case studies demonstrate how the system supports debugging and assessing the quality of GFlowNets across application domains. By making the structural dynamics of GFlowNets observable, our work enhances their interpretability and can accelerate GFlowNet development in practice.
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All authors Florian Holeczek, Andreas Hinterreiter, Alex Hernandez-Garcia, Marc Streit, Christina Humer
Machine Learning · Cross-listed from math.DS
On the algebra of Koopman eigenfunctions and on some of their infinities
Zahra Monfared, Saksham Malhotra, Sekiya Hajime et al. (+2 more)
For continuous-time dynamical systems with reversible trajectories, the nowhere-vanishing eigenfunctions of the Koopman operator of the system form a multiplicative group. Here, we exploit this property to accelerate the systematic numerical computation of the eigenspaces of the operator. Given a small set of (so-called “principal”) eigenfunctions that are approximated conventionally, we can obtain a much larger set by constructing
polynomials of the principal eigenfunctions. This enriches the set, and thus allows us to more accurately represent application-specific observables. Often, eigenfunctions exhibit localized singularities (e.g. in simple, one-dimensional problems with multiple steady states) or extended ones (e.g. in simple, two-dimensional problems possessing a limit cycle, or a separatrix); we discuss eigenfunction matching/continuation across such singularities. By handling eigenfunction singularities and enabling their continuation, our approach supports learning consistent global representations from locally sampled data. This is particularly relevant for multistable systems and applications with sparse or fragmented measurements.
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All authors Zahra Monfared, Saksham Malhotra, Sekiya Hajime, Ioannis Kevrekidis, Felix Dietrich
Machine Learning
Probably Approximately Consensus: On the Learning Theory of Finding Common Ground
Carter Blair, Ben Armstrong, Shiri Alouf-Heffetz et al. (+2 more)
A primary goal of online deliberation platforms is to identify ideas that are broadly agreeable to a community of users through their expressed preferences. Yet, consensus elicitation should ideally extend beyond the specific statements provided by users and should incorporate the relative salience of particular topics. We address this issue by modelling consensus as an interval in a one-dimensional opinion space derived from potentially high-dimensional data via
embedding and dimensionality reduction. We define an objective that maximizes expected agreement within a hypothesis interval where the expectation is over an underlying distribution of issues, implicitly taking into account their salience. We propose an efficient Empirical Risk Minimization (ERM)
algorithm and establish PAC-learning guarantees. Our initial experiments demonstrate the performance of our
algorithm and examine more efficient approaches to identifying optimal consensus regions. We find that through selectively querying users on an existing sample of statements, we can reduce the number of queries needed to a practical number.
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All authors Carter Blair, Ben Armstrong, Shiri Alouf-Heffetz, Nimrod Talmon, Davide Grossi
Machine Learning
Quotient-Space Diffusion Models
Yixian Xu, Yusong Wang, Shengjie Luo et al. (+4 more)
Diffusion-based generative models have reformed generative AI, and also enabled new capabilities in the science domain, e.g., fast generation of 3D structures of molecules. In such tasks, there is often a
symmetry in the system, identifying elements that can be converted by certain transformations as equivalent. Equivariant
diffusion models guarantee a symmetric distribution, but miss the opportunity to make learning easier, while
alignment-based simplification attempts fail to preserve the target distribution. In this work, we develop quotient-space
diffusion models, a principled generative framework to fully handle and leverage
symmetry. By viewing the intrinsic generation process on the quotient space, the exact construction that removes
symmetry redundancy, the framework simplifies learning by allowing model output to have an arbitrary intra-equivalence-class movement, while generating the correct symmetric target distribution with guarantee. We instantiate the framework for molecular structure generation which follows $\mathrm{SE}(3)$ (rigid-body movement)
symmetry. It improves the performance over equivariant
diffusion models and outperforms
alignment-based methods universally for small molecules and
proteins, representing a new framework that surpasses previous
symmetry treatments in generative models.
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All authors Yixian Xu, Yusong Wang, Shengjie Luo, Kaiyuan Gao, Tianyu He, Di He, Chang Liu
Machine Learning
An effective variant of the Hartigan $k$-means algorithm
François Clément and Stefan Steinerberger
The k-means problem is perhaps the classical clustering problem and often synonymous with Lloyd's
algorithm (1957). It has become clear that Hartigan's
algorithm (1975) gives better results in almost all cases, Telgarsky-Vattani note a typical improvement of $5\%$ – $10\%$. We point out that a very minor variation of Hartigan's method leads to another $2\%$ – $5\%$ improvement; the improvement tends to become larger when either dimension or $k$ increase.
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Machine Learning · Cross-listed from cs.GT
Compliance Moral Hazard and the Backfiring Mandate
Jian Ni, Lecheng Zheng and John R Birge
Competing firms that share a population of risky customers face a decentralized risk detection problem in which each firm holds fragmentary information whose aggregation would generate social value, but private incentives impede truthful sharing. We develop a dynamic mechanism design framework for this setting and identify three strategic frictions that distinguish it from classical mechanism design with decentralized information: compliance moral hazard,
adversarial adaptation, and information destruction through intervention. A temporal value assignment (TVA) mechanism credits firms using a strictly proper scoring rule applied to discounted verified outcomes; under stated assumptions, TVA implements truthful posterior reporting as a Bayes–Nash
equilibrium (uniquely optimal at each edge in large federations, with $O(1/m)$ shading in finite systems). A network Shapley characterization shows that under edge-additive coalition value, each firm's marginal contribution is proportional to its weighted cross-firm interaction degree, yielding a sharp prescription for coalition design that prioritizes inter-firm volume over firm size.
Embedding TVA in a model of competition among firms, we establish a welfare ordering across four regulatory regimes (autarky, voluntary federation, mandated full sharing, TVA) and identify conditions under which information-sharing mandates without compatible incentive design reduce welfare below autarky: a “backfiring mandate.” We illustrate the framework on a 1.4M-transaction synthetic anti-money-laundering
benchmark; the same machinery extends to platform fraud, cybersecurity threat intelligence, and supply chain risk detection.
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Machine Learning
PrismaDV: Automated Task-Aware Data Unit Test Generation
Hao Chen, Arnab Phani and Sebastian Schelter
Data is a central resource for modern enterprises, and data validation is essential for ensuring the reliability of downstream applications. However, existing automated data unit testing frameworks are largely task-agnostic: they validate
datasets without considering the semantics and requirements of the code that consumes the data. We present PrismaDV, a compound AI system that analyzes downstream task code together with
dataset profiles to identify data access patterns, infer implicit data assumptions, and generate task-aware executable data unit tests. To further adapt the data unit tests over time to specific
datasets and downstream tasks, we propose "Selective Informative Feedback for Task Adaptation" (SIFTA), a
prompt-optimization framework that leverages the scarce outcomes from the execution of data unit tests and downstream tasks. We evaluate PrismaDV on two new
benchmarks spanning 60 tasks across five
datasets, where it consistently outperforms both task-agnostic and task-aware baselines in generating unit tests that reflect the end-to-end impact of data errors. Furthermore, we show that with SIFTA, we can automatically learn
prompts for PrismaDV's modules that outperform
prompts written by hand or generated from a generic
prompt optimizer. We publicly release our
benchmarks and prototype implementation.
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Machine Learning
Transferable Physics-Informed Representations via Closed-Form Head Adaptation
Jian Cheng Wong, Isaac Yin Chung Lai, Pao-Hsiung Chiu et al. (+3 more)
Physics-informed neural networks (PINNs) have garnered significant interest for their potential in solving partial differential equations (PDEs) that govern a wide range of physical phenomena. By incorporating physical laws into the learning process, PINN models have demonstrated the ability to learn physical outcomes reasonably well. However, current PINN approaches struggle to predict or solve new PDEs effectively when there is a lack of training examples, indicating they do not generalize well to unseen problem instances. In this paper, we present a transferable learning approach for PINNs premised on a fast Pseudoinverse PINN framework (Pi-PINN). Pi-PINN learns a transferable physics-informed representation in a shared
embedding space and enables rapid solving of both known and unknown PDE instances via closed-form head adaptation using a least-squares-optimal pseudoinverse under PDE constraints. We further investigate the synergies between data-driven multi-task learning loss and physics-informed loss, providing insights into the design of more performant PINNs. We demonstrate the effectiveness of Pi-PINN on various PDE problems, including Poisson's equation, Helmholtz equation, and Burgers' equation, achieving fast and accurate physics-informed solutions without requiring any data for unseen instances. Pi-PINN can produce predictions 100-1000 times faster than a typical PINN, while producing predictions with 10-100 times lower relative error than a typical data-driven model even with only two training samples. Overall, our findings highlight the potential of transferable representations with closed-form head adaptation to enhance the efficiency and generalization of PINNs across PDE families and scientific and engineering applications.
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All authors Jian Cheng Wong, Isaac Yin Chung Lai, Pao-Hsiung Chiu, Chin Chun Ooi, Abhishek Gupta, Yew-Soon Ong
Machine Learning · Cross-listed from cs.CV
Interpretable facial dynamics as behavioral and perceptual traces of deepfakes
Timothy Joseph Murphy, Jennifer Cook and Hélio Clemente José Cuve
Deepfake detection research has largely converged on deep learning approaches that, despite strong
benchmark performance, offer limited insight into what distinguishes real from manipulated facial behavior. This study presents an interpretable alternative grounded in bio-behavioral features of facial dynamics and evaluates how computational detection strategies relate to human perceptual judgments. We identify core low-dimensional patterns of facial movement, from which temporal features characterizing spatiotemporal structure were derived. Traditional machine learning classifiers trained on these features achieved modest but significant above-chance deepfake classification, driven by higher-order temporal irregularities that were more pronounced in manipulated than real facial dynamics. Notably, detection was substantially more accurate for
videos containing emotive expressions than those without. An emotional valence classification analysis further indicated that emotive signals are systematically degraded in deepfakes, explaining the differential impact of emotive dynamics on detection. Furthermore, we provide an additional and often overlooked dimension of explainability by assessing the relationship between model decisions and human perceptual detection. Model and human judgments converged for emotive but diverged for non-emotive
videos, and even where outputs aligned, underlying detection strategies differed. These findings demonstrate that face-swapped deepfakes carry a measurable behavioral fingerprint, most salient during emotional expression. Additionally, model-human comparisons suggest that interpretable computational features and human perception may offer complementary rather than redundant routes to detection.
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Machine Learning · Cross-listed from cond-mat.mtrl-sci
Neural surrogates for crystal growth dynamics with variable supersaturation: explicit vs. implicit conditioning
Matteo Rigoni, Daniele Lanzoni, Francesco Montalenti et al. (+1 more)
Simulations of
crystal growth are performed by using Convolutional Recurrent Neural Network surrogate models, trained on a
dataset of time sequences computed by numerical integration of Allen-Cahn dynamics including faceting via kinetic anisotropy. Two network architectures are developed to take into account the effects of a variable supersaturation value. The first infers it implicitly by processing an input mini-sequence of a few
evolution frames and then returns a consistent continuation of the
evolution. The second takes the supersaturation parameter as an explicit input along with a single initial frame and predicts the entire sequence. The two models are systematically tested to establish strengths and weaknesses, comparing the prediction performance for models trained on
datasets of different size and, in the first architecture, different lengths of input mini-sequence. The analysis of point-wise and mean absolute errors shows how the explicit parameter conditioning guarantees the best results, reproducing with high-fidelity the ground-truth profiles. Comparable results are achievable by the mini-sequence approach only when using larger training
datasets. The trained models show strong conditioning by the supersaturation parameter, consistently reproducing its overall impact on growth rates as well as its local effect on the faceted morphology. Moreover, they are perfectly scalable even on 256 times larger domains and can be successfully extended to more than 10 times longer sequences with limited error accumulation. The analysis highlights the potential and limits of these approaches in view of their general exploitation for
crystal growth simulations.
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All authors Matteo Rigoni, Daniele Lanzoni, Francesco Montalenti, Roberto Bergamaschini
Machine Learning · Cross-listed from cs.CL
StructMem: Structured Memory for Long-Horizon Behavior in LLMs
Buqiang Xu, Yijun Chen, Jizhan Fang et al. (+5 more)
Long-term conversational
agents need
memory systems that capture relationships between events, not merely isolated facts, to support temporal
reasoning and multi-hop question answering. Current approaches face a fundamental trade-off: flat
memory is efficient but fails to model relational structure, while graph-based
memory enables structured
reasoning at the cost of expensive and fragile construction. To address these issues, we propose StructMem, a structure-enriched hierarchical
memory framework that preserves event-level bindings and induces cross-event connections. By temporally anchoring dual perspectives and performing periodic semantic consolidation, StructMem improves temporal
reasoning and multi-hop performance on LoCoMo, while substantially reducing
token usage, API calls, and runtime compared to prior
memory systems, see https://github.com/zjunlp/LightMem .
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All authors Buqiang Xu, Yijun Chen, Jizhan Fang, Ruobin Zhong, Yunzhi Yao, Yuqi Zhu, Lun Du, Shumin Deng
Machine Learning · Cross-listed from cs.CV
Ramen: Robust Test-Time Adaptation of Vision-Language Models with Active Sample Selection
Wenxuan Bao, Yanjun Zhao, Xiyuan Yang et al. (+1 more)
Pretrained
vision-
language models such as CLIP exhibit strong zero-shot generalization but remain sensitive to distribution shifts. Test-time adaptation adapts models during inference without access to source data or target labels, offering a practical way to handle such shifts. However, existing methods typically assume that test samples come from a single, consistent domain, while in practice, test data often include samples from mixed domains with distinct characteristics. Consequently, their performance degrades under mixed-domain settings. To address this, we present Ramen, a framework for robust test-time adaptation through active sample selection. For each incoming test sample, Ramen retrieves a customized batch of relevant samples from previously seen data based on two criteria: domain consistency, which ensures that adaptation focuses on data from similar domains, and prediction balance, which mitigates adaptation bias caused by skewed predictions. To improve efficiency, Ramen employs an
embedding-gradient cache that stores the
embeddings and sample-level gradients of past test images. The stored
embeddings are used to retrieve relevant samples, and the corresponding gradients are aggregated for model updates, eliminating the need for any additional forward or backward passes. Our theoretical analysis provides insight into why the proposed adaptation mechanism is effective under mixed-domain shifts. Experiments on multiple image corruption and domain-shift
benchmarks demonstrate that Ramen achieves strong and consistent performance, offering robust and efficient adaptation in complex mixed-domain scenarios. Our code is available at https://github.com/baowenxuan/Ramen .
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All authors Wenxuan Bao, Yanjun Zhao, Xiyuan Yang, Jingrui He
Machine Learning
Fairness under uncertainty in sequential decisions
Michelle Seng Ah Lee, Kirtan Padh, David Watson et al. (+2 more)
Fair machine learning (ML) methods help identify and mitigate the risk that
algorithms encode or automate social injustices. Algorithmic approaches alone cannot resolve structural inequalities, but they can support socio-technical decision systems by surfacing discriminatory biases, clarifying trade-offs, and enabling governance. Although
fairness is well studied in supervised learning, many real ML applications are online and sequential, with prior decisions informing future ones. Each decision is taken under uncertainty due to unobserved counterfactuals and finite samples, with dire consequences for under-represented groups, systematically under-observed due to historical exclusion and selective feedback. A bank cannot know whether a denied loan would have been repaid, and may have less data on marginalized populations. This paper introduces a taxonomy of uncertainty in sequential decision-making – model, feedback, and prediction uncertainty – providing shared vocabulary for assessing systems where uncertainty is unevenly distributed across groups. We formalize model and feedback uncertainty via counterfactual logic and reinforcement learning, and illustrate harms to decision makers (unrealized gains/losses) and subjects (compounding exclusion, reduced access) of policies that ignore the unobserved space. Algorithmic examples show it is possible to reduce outcome variance for disadvantaged groups while preserving institutional objectives (e.g. expected utility). Experiments on data simulated with varying bias show how unequal uncertainty and selective feedback produce disparities, and how uncertainty-aware exploration alters
fairness metrics. The framework equips practitioners to diagnose, audit, and govern
fairness risks. Where uncertainty drives unfairness rather than incidental noise, accounting for it is essential to fair and effective decision-making.
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All authors Michelle Seng Ah Lee, Kirtan Padh, David Watson, Niki Kilbertus, Jatinder Singh
Machine Learning · Cross-listed from cs.CL
Fixation Sequences as Time Series: A Topological Approach to Dyslexia Detection
Marius Huber, David R. Reich and Lena A. Jäger
Persistent homology, a method from topological data analysis, extracts robust, multi-scale features from data. It produces stable representations of time series by applying varying thresholds to their values (a process known as a filtration). We develop novel filtrations for time series and introduce topological methods for the analysis of eye-tracking data, by interpreting fixation sequences as time series, and constructing “hybrid models” that combine topological features with traditional statistical features. We empirically evaluate our method by applying it to the task of dyslexia detection from eye-tracking-while-reading data using the Copenhagen Corpus, which contains scanpaths from dyslexic and non-dyslexic L1 and L2 readers. Our hybrid models outperform existing approaches that rely solely on traditional features, showing that persistent homology captures complementary information encoded in fixation sequences. The strength of these topological features is further underscored by their achieving performance comparable to established baseline methods. Importantly, our proposed filtrations outperform existing ones.
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Machine Learning
Towards Universal Tabular Embeddings: A Benchmark Across Data Tasks
Liane Vogel, Kavitha Srinivas, Niharika D'Souza et al. (+3 more)
Tabular foundation models aim to learn universal representations of tabular data that transfer across tasks and domains, enabling applications such as table
retrieval, semantic search and table-based prediction. Despite the growing number of such models, it remains unclear which approach works best in practice, as existing methods are often evaluated under task-specific settings that make direct comparison difficult. To address this, we introduce TEmBed, the Tabular
Embedding Test Bed, a unified
benchmark for systematically evaluating tabular
embeddings across four representation levels:
cell, row, column, and table. Evaluating a diverse set of tabular representation learning models, we show that which model to use depends on the task and representation level. Our results offer practical guidance for selecting tabular
embeddings in real-world applications and lay the groundwork for developing more general-purpose tabular representation models.
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All authors Liane Vogel, Kavitha Srinivas, Niharika D'Souza, Sola Shirai, Oktie Hassanzadeh, Horst Samulowitz
Machine Learning · Cross-listed from stat.ML
There Will Be a Scientific Theory of Deep Learning
Jamie Simon, Daniel Kunin, Alexander Atanasov et al. (+11 more)
In this paper, we make the case that a scientific theory of deep learning is emerging. By this we mean a theory which characterizes important properties and statistics of the training process, hidden representations, final weights, and performance of neural networks. We pull together major strands of ongoing research in deep learning theory and identify five growing bodies of work that point toward such a theory: (a) solvable idealized settings that provide intuition for learning dynamics in realistic systems; (b) tractable limits that reveal insights into fundamental learning phenomena; (c) simple mathematical laws that capture important macroscopic observables; (d) theories of hyperparameters that disentangle them from the rest of the training process, leaving simpler systems behind; and (e) universal behaviors shared across systems and settings which clarify which phenomena call for explanation. Taken together, these bodies of work share certain broad traits: they are concerned with the dynamics of the training process; they primarily seek to describe coarse aggregate statistics; and they emphasize falsifiable quantitative predictions. We argue that the emerging theory is best thought of as a mechanics of the learning process, and suggest the name learning mechanics. We discuss the relationship between this mechanics perspective and other approaches for building a theory of deep learning, including the statistical and information-theoretic perspectives. In particular, we anticipate a symbiotic relationship between learning mechanics and mechanistic interpretability. We also review and address common arguments that fundamental theory will not be possible or is not important. We conclude with a portrait of important open directions in learning mechanics and advice for beginners. We host further introductory materials, perspectives, and open questions at learningmechanics.pub.
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All authors Jamie Simon, Daniel Kunin, Alexander Atanasov, Enric Boix-Adserà, Blake Bordelon, Jeremy Cohen, Nikhil Ghosh, Florentin Guth, Arthur Jacot, Mason Kamb, Dhruva Karkada, Eric J. Michaud, Berkan Ottlik, Joseph Turnbull
Machine Learning
Evaluating Post-hoc Explanations of the Transformer-based Genome Language Model DNABERT-2
Isabel Kurth, Paulo Yanez Sarmiento and Bernhard Y. Renard
Explaining deep neural network predictions on genome sequences enables biological insight and hypothesis generation-often of greater interest than predictive performance alone. While explanations of convolutional neural networks (CNNs) have been shown to capture relevant patterns in genome sequences, it is unclear whether this transfers to more expressive
Transformer-based genome
language models (gLMs). To answer this question, we adapt AttnLRP, an extension of layer-wise relevance propagation to the
attention mechanism, and apply it to the state-of-the-art gLM DNABERT-2. Thereby, we propose strategies to transfer explanations from
token and nucleotide level. We evaluate the adaption of AttnLRP on genomic
datasets using multiple metrics. Further, we provide an extensive comparison between the explanations of DNABERT-2 and a baseline CNN. Our results demonstrate that AttnLRP yields reliable explanations corresponding to known biological patterns. Hence, like CNNs, gLMs can also help derive biological insights. This work contributes to the explainability of gLMs and addresses the comparability of relevance attributions across different architectures.
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