Machine Learning
OncoTraj: a public benchmark for longitudinal resistance prediction in EGFR-mutant non-small-cell lung cancer on osimertinib
Abhijoy Sarkar and Aarchi Singh Thakur
Resistance to first-line osimertinib in EGFR-mutant non-small-
cell lung cancer (NSCLC) is the canonical example of predictable clonal
evolution under therapeutic pressure, yet no public
benchmark exists for training or evaluating computational models on the corresponding longitudinal patient trajectories. We introduce OncoTraj, a public
benchmark of 813 EGFR-mutant NSCLC patients receiving first-line osimertinib, harmonized from three real-world clinical-genomic sources: MSK-CHORD (672 patients), AACR Project GENIE BPC NSCLC (34 patients), and the FLAURA molecular-resistance supplement (107 patients). OncoTraj defines three locked tasks: (A) binary classification of progression by a fixed 12-month landmark, (B) regression of time-to-first-progression in days, and (C) six-class classification of the dominant resistance mechanism. We release the harmonized
dataset, patient-level train/validation/test splits with an audited no-leakage guarantee, an open-source evaluation harness, and six reference baselines spanning a majority-class predictor, logistic regression, random forest, XGBoost, an LSTM, and a multi-task
transformer. With v1's single-timepoint snapshot features, no task clears chance on clean within-source evaluation: the uniformity of this ceiling across every model class localizes the limit to the input modality (single-snapshot tissue NGS rather than serial ctDNA), not the
algorithm. The
benchmark does recover a reproducible literature-consistent association: TP53 co-mutation raises the 12-month progression rate from 29% to 59% cohort-wide. OncoTraj establishes a reproducible, leakage-audited baseline and converts the modality limit into concrete design requirements for a serial-ctDNA-enriched v2.
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Machine Learning · Cross-listed from physics.geo-ph
Data assimilation for subsurface flow using latent diffusion model parameterization: performance of ensemble-Kalman and Monte Carlo techniques
Guido Di Federico, Wenchao Teng and Louis J. Durlofsky
Data assimilation (DA) in subsurface flow entails calibrating model parameters to match observed data, typically at wells, while preserving geological realism. Latent
diffusion models (LDMs) provide efficient mappings from high-dimensional geological model space to a low-dimensional latent variable, reducing the dimensionality of the inverse problem while maintaining plausibility in posterior geomodels. However, the high nonlinearity in the LDM mapping may degrade the performance of Kalman-gain-based ensemble updates. We present a systematic comparison of DA
algorithms applied to large-scale 3D channelized geomodels with hierarchical geological uncertainty. We compare model-space and latent-space DA using the ensemble smoother with multiple data assimilation (ESMDA), and demonstrate a key trade-off: model-space updates achieve significant uncertainty reduction but produce geologically unrealistic posterior models, while latent-space updates preserve realism but exhibit limited uncertainty reduction. Motivated by this, we explore rigorous Markov chain Monte Carlo (MCMC) and Sequential Monte Carlo (SMC)
algorithms in the 3D-LDM latent space. To accommodate their high computational demands, we develop a fast surrogate flow model that approximates well-rate responses. MCMC and SMC are evaluated against ESMDA across three synthetic test cases, with DA performed in the LDM latent space. All models maintain geological realism due to the LDM parameterization. MCMC and SMC are consistent with one another and achieve lower data mismatch and more uncertainty reduction than latent-space ESMDA. Our overall results demonstrate that ensemble Kalman methods may provide overestimated posterior uncertainty with highly nonlinear parameterizations, while rigorous Monte Carlo sampling, enabled by fast surrogate models, can provide a more reliable alternative.
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Machine Learning
First-Order Trajectory Matching: Fast Ensemble Predictions of Chaotic, Turbulent, Stochastic Systems
Shreya Jha, Timo Schorlepp, Nicholas Geissler et al. (+2 more)
We introduce First-Order Trajectory Matching (FTM), a surrogate-modeling method that learns the first-order local transport of probability mass from trajectories of
stochastic systems. By matching the symmetric first-order motion of trajectories, FTM learns the probability current velocity, whose flow preserves time marginals to match ensemble averages, while also capturing current-like trajectory quantities such as fluxes, circulations, and barrier-crossing currents. FTM learns the current velocity directly from trajectories, avoiding drift,
diffusion, and score estimation. Our stability analysis separates discretization error from sampling variance and shows that the one-step simulation-free FTM loss is stable when temporal resolution and sample size are properly balanced. Across
stochastic dynamical systems and PDE examples, we empirically demonstrate that FTM provides trajectory-aware ensemble predictions at low, deterministic-rollout cost.
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All authors Shreya Jha, Timo Schorlepp, Nicholas Geissler, Jules Berman, Benjamin Peherstorfer
Machine Learning
Robust Regression of General ReLUs with Queries
Ilias Diakonikolas, Daniel M. Kane and Mingchen Ma
We study the task of agnostically learning general (as opposed to homogeneous) ReLUs under the Gaussian distribution with respect to the squared loss. In the passive learning setting, recent work gave a computationally efficient
algorithm that uses $poly(d,1/\epsilon)$ labeled examples and outputs a hypothesis with error $O(opt)+\epsilon$, where $opt$ is the squared loss of the best fit ReLU. Here we focus on the interactive setting, where the learner has some form of query access to the labels of unlabeled examples. Our main result is the first computationally efficient learner that uses $d polylog(1/\epsilon)+\tilde{O}(\min\{1/p, 1/\epsilon\})$ black-box label queries, where $p$ is the bias of the target function, and achieves error $O(opt)+\epsilon$. We complement our algorithmic result by showing that its query complexity bound is qualitatively near-optimal, even ignoring computational constraints. Finally, we establish that query access is essentially necessary to improve on the label complexity of passive learning. Specifically, for pool-based active learning, any active learner requires $\tilde{\Omega}(d/\epsilon)$ labels, unless it draws a super-
polynomial number of unlabeled examples.
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Machine Learning · Cross-listed from eess.SP
DMT: Demographic Conditioning, Morphology-Enhanced Transformer for Cuffless Blood Pressure Estimation from PPG Signals
Yidan Shen, Neville Mathew, Maham Rahimi et al. (+4 more)
Blood pressure (BP) is a key marker for cardiovascular risk assessment and therapeutic decision-making, and Photoplethysmography (PPG) enables low-cost, wearable-friendly cuffless BP estimation. However, even with recent progress, many PPG-based models are trained with BP regression alone and may rely on amplitude-dominated shortcuts. In addition, demographic
covariates that systematically modulate vascular compliance are often incorporated only via late fusion, limiting subject-specific representation learning. We propose a
Transformer-based network for cuffless BP estimation from PPG signal, leveraging self-
attention to capture long-range dependencies across multiple cardiac cycles. To account for subject-specific vascular differences, the model is conditioned on demographics via FiLM-style feature modulation applied through the
attention and feed-forward sublayers of
Transformer blocks. In addition, we add an auxiliary morphology head to guide the model to attend to BP-relevant waveform morphology associated with arterial stiffness and wave reflection. Under calibration-based evaluation protocols on the large-scale PulseDB
dataset, the proposed method achieves MAE of 4.56 mmHg for systolic BP and 2.62 mmHg for diastolic BP, reducing errors by 47% and 50% compared with prior demographic-enhanced PPG baselines. The resulting lightweight, single-sensor model supports scalable and clinically grounded cuffless BP estimation in calibration-enabled deployment settings.
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All authors Yidan Shen, Neville Mathew, Maham Rahimi, Deependra Dhakal, George Zouridakis, Xin Fu, Renjie Hu
Machine Learning
Overcoming Rank Collapse in Feedback Alignment
Gauthier Boeshertz, Razvan Pascanu and Claudia Clopath
Backpropagation (BP) is widely viewed as biologically implausible, in part because it requires feedback weights to be the transpose of forward weights for error propagation. Interestingly, when training a network with fixed random feedback weights to circumvent this issue, learning aligns the forward weights with the feedback weights, leading the backpropagated error signal to become an approximation of the standard gradient used by BP. This process, called Feedback
Alignment (FA), occurs in MLPs and very shallow CNNs but does not scale well to deeper architectures. In this work, we first investigated differences between BP and FA models, trained on CIFAR10, specifically focusing on the effective rank of the signal. We found that the FA error has a considerably lower rank and hence is constrained to a lower-dimensional subspace compared to BP, limiting exploration of the parameter space. Motivated by this observation, we evaluated two mechanisms for increasing the effective dimensionality of FA:
Muon, an optimiser that orthogonalises weight updates; and hidden activity normalisation, which promotes activation orthogonality. Across larger architectures and
benchmarks, we find that these methods consistently improve over FA baselines, for example, on CIFAR100 with a Resnet-18, accuracy increases by 9 percentage points. Our results identify low-dimensional gradient dynamics as a key obstacle to scaling FA and suggest that inducing higher-dimensional update geometry is a promising route toward scaling alternatives to backpropagation.
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Machine Learning
TRACE: A Unified Rollout Budget Allocation Framework for Efficient Agentic Reinforcement Learning
Heming Zou, Qi Wang, Yun Qu et al. (+9 more)
Reinforcement learning with verifiable rewards (RLVR) is a promising approach for enhancing
reasoning and agentic behavior in large
language models. However, rollout-intensive policy optimization is often limited by insufficient reward contrast, arising when overly simple or complex
prompts generate low-variance feedback and when outcome-only rewards assign the same terminal assessment to every decision in a multi-turn rollout. Past efforts have focused on allocating available rollout resources to promising
prompts, yet they only leverage sample informativeness at the
prompt level and neglect variation in prefix-level informativeness across turns within the same rollout. This work targets multi-turn agentic RL by modeling each ReAct-style thought-action-observation turn as a semantically distinct node, allowing budget allocation to extend from
prompt roots to turn-level prefixes with further continuations, which naturally forms tree-structured rollouts. We introduce Tree Rollout Allocation for Contrastive Exploration (TRACE), a unified rollout allocation framework that enhances reward contrast within a fixed sampling budget. Technically, TRACE allocates rollout budget to both
prompt roots and intermediate prefixes that are most likely to yield mixed terminal rewards. A shared generalizable predictor estimates conditional success probability at these anchors from prefix histories to guide this allocation. The resulting adaptive tree structure enriches outcome-only feedback and amplifies the policy-update signal. Empirically, TRACE achieves competitive performance and efficiency gains on typical agentic
benchmarks, e.g., improving Qwen3-14B Multi-Hop QA average accuracy by 2.8 points over competitive baselines at equal sampling cost.
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All authors Heming Zou, Qi Wang, Yun Qu, Yuhang Jiang, Lizhou Cai, Yixiu Mao, Ru Peng, Xin Xu, Weijie Liu, Kai Yang, Saiyong Yang, Xiangyang Ji
Machine Learning
Data-Driven Dynamic Assortment in Online Platforms: Learning about Two Sides
Rahul Roy, Nur Sunar and Jayashankar M. Swaminathan
We study a dynamic assortment problem on a two-sided service platform with incomplete information and heterogeneous customers in a discrete-time setting. In each period, a customer arrives seeking service, and the platform chooses an assortment of sellers to display. The customer then proposes a transaction to at most one seller in the assortment according to a multinomial logit choice model. After a fixed number of periods, sellers review the proposals they have received and each chooses at most one customer according to another multinomial logit choice model, after which the cycle repeats. A key challenge is that the platform does not know the choice-model parameters of either customers or sellers in advance. To our knowledge, this is the first study of a dynamic assortment problem in which both sides' choice parameters are unknown. We develop a data-driven
algorithm that learns these parameters while optimizing the platform's objective over time. We evaluate performance using regret, which measures revenue loss relative to a clairvoyant
benchmark that knows all parameters and customer arrivals in advance. We show that the
algorithm's worst-case regret grows polylogarithmically over time, and we derive a matching lower bound, establishing its rate optimality.
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Machine Learning · Cross-listed from eess.IV
Multimodal Brain Tumour Classification Using Feature Fusion
Wajih ul Islam, Muhammad Yaqoob, Javed Ali Khan et al. (+1 more)
Clinicians diagnose
brain tumors by synthesizing patient symptoms, medical history, and quantitative imaging data from modalities such as MRI and CT scans into a unified clinical judgement. However, most deep learning models rely on MRI/CT images alone, failing to replicate the clinicians
multimodal reasoning. We explore a two-branch
multimodal network combining raw MRI scans with 91 extracted radiomic features (intensity, texture, shape, and boundary descriptors) to classify
brain tumors into glioma, meningioma, pituitary, and no-tumor. A pre-trained CNN backbone encodes the image stream, whereas a dedicated MLP encodes the radiomic stream. Both streams are fused via concatenation, gated, or bidirectional cross-modal
attention strategies. Across nine experimental runs on a balanced 7,200 image
dataset, all
multimodal configurations outperform unimodal baselines with gated fusion achieving the best accuracy of 96.13%.
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All authors Wajih ul Islam, Muhammad Yaqoob, Javed Ali Khan, Volker Steuber
Machine Learning
Limitations of Learning Tanh Neural Networks with Finite Precision
Philipp Grohs and Matěj Trödler
We investigate limitations of learning $\tanh$ neural networks from point evaluations under finite-precision computations and $L^p$ accuracy guarantees, building on Berner, Grohs, and Voigtländer (2023). Our approach is based on a novel construction of sharply localized bump functions via iterated $\tanh$ activations. Using this mechanism, we show that, in a finite-precision setting, no adaptive randomized
algorithm based on $m$ samples can achieve a convergence rate higher than the Monte Carlo rate $O(m^{-1/p})$ in the $L^p$ norm, unless the sampling budget grows exponentially with the size of the network parameters and architecture. The results reveal fundamental limitations imposed by finite precision on the learnability of classes containing localized bump functions, extending previous results for ReLU networks to the $\tanh$ setting.
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Machine Learning · Cross-listed from cs.CR
Do Transformers Actually Help Intrusion Detection? A Temporal Sequence Evaluation on CIC-IDS2017
Zach Moczkodan and Hany Ragab
Recent deep learning approaches for network intrusion detection increasingly incorporate temporal architectures such as recurrent networks and
Transformers, often reporting near-perfect performance on CIC-IDS2017. However, many existing studies neither supply their temporal modules with genuine sequence inputs nor evaluate under realistic, leakage-free conditions, making it unclear whether reported gains arise from true sequence-modelling capability. In this work, we reformulate CIC-IDS2017 as a temporal intrusion-detection task by constructing ordered flow sequences from network conversations and benchmarking nine classical and deep learning architectures under a random split, two leakage-free splits, and a padding-scheme ablation. The central finding is that padding convention, not architecture, determines the
Transformer's performance: on genuinely sequential (non-padded) windows the
Transformer achieves the highest macro-F1 of any model in the experiment ($0.89$), yet under zero-pad+mask evaluation it drops markedly while LSTM, GRU, and 1D-CNN remain stable and a class-balanced Random Forest is the most robust model overall. The same repeat-last padding cue masks a $67\times$ increase in the
Transformer's false-alarm rate that only leakage-free evaluation reveals. Evaluation methodology – specifically padding convention and split protocol – thus has a larger effect on reported performance than architectural choice. We advocate for leakage-free splits, explicit padding disclosure, and sequence-aware benchmarking as standard practice in future IDS research. Our code and implementation details are available here: https://github.com/zachmocz/temporal-ids-bench.
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Machine Learning
Test-Time Gradient Guidance of Flow Policies in Reinforcement Learning
Zhiyuan Zhou, Andy Peng, Charles Xu et al. (+4 more)
Expressive continuous control policies, such as
diffusion and flow models, form the backbone of recent advances in scaling imitation learning for simulated and real
robot control. While they are known to scale stably in the supervised imitation learning setting, incorporating them into reinforcement learning (RL) pipelines for policy improvement has proven more difficult. It often requires specialized training objectives or backpropagating through denoising processes, which cause well-known issues with stability and affect scalability. In this paper we study the question of whether simple policy improvement schemes at test time alone, leaving stable supervised policy training intact, can be a competitive alternative which sidesteps these issues. To this end, we propose QGF (Q-Guided Flow), an RL
algorithm that performs policy optimization entirely at test time. QGF works by pre-training both a reference flow policy (via a standard behavioral cloning objective) and a value function critic and, at test time, using the value gradient to guide the reference policy to generate higher-value actions without any additional policy learning. Empirically, QGF outperforms prior test-time RL methods on single-task and goal-conditioned offline RL
benchmarks with high-dimensional action spaces, and is competitive with state-of-the-art training-time
algorithms while being much cheaper to run. Moreover, it exhibits favorable scaling with model size by avoiding the instability of actor-critic training, offering a practical and effective alternative RL
algorithm with expressive policies.
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All authors Zhiyuan Zhou, Andy Peng, Charles Xu, Qiyang Li, Jost Tobias Springenberg, Kevin Frans, Sergey Levine
Machine Learning
Unifying Local Communications and Local Updates for LLM Pretraining
Pietro Cagnasso, Eugene Belilovsky and Edouard Oyallon
Communication-efficient pre-training of LLMs is increasingly important as training draws on compute distributed across clusters, data centers, and lower-bandwidth links. Many practical methods reduce communication frequency but still rely on synchronous All-Reduce operations that maintain identical model states and tie progress to global collectives. This can become a bottleneck when bandwidth or worker speed is heterogeneous. We introduce GASLoC, a novel decentralized pre-training
algorithm that generalizes the notion of communication acceleration to the recently popular "outer optimizer" to allow a practical gossip-based training framework that is compatible with adaptive optimizers, allows for local optimizer steps, and can utilize sparse randomized peer communication. Empirically, on a number of standard LLM training tasks, we demonstrate that GASLoC outperforms state-of-the-art decentralized
algorithms in single step per communication setting for a number of
topologies and, unlike existing decentralized methods in the LLM setting, it allows to obtain performance competitive with DiLoCo when utilizing multiple local steps. In the heterogeneous bandwidth setting we demonstrate the advantage of GASLoC showing that it can significantly outperform DiLoCo.
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Machine Learning
Exploring the Design Space of Reward Backpropagation for Flow Matching
Ruoyu Wang, Boye Niu, Xiangxin Zhou et al. (+3 more)
Aligning text-to-image flow matching models with human preferences via direct reward backpropagation is sample-efficient but hampered by two well-known pathologies: activations cannot be stored across the full sampling trajectory at modern model scale, and chained Jacobian products across steps inflate the reward gradient as it travels back to early indices. Connector-based methods, such as LeapAlign, address these issues by replacing the full backward trajectory with a short pinned path, highlighting a useful decoupling between sampling and optimization. However, the quality of the resulting gradient depends on how accurately this short path approximates the full rollout, especially over long intervals. We propose FlowBP, a unified surrogate-trajectory framework that treats the backward trajectory itself as the design object. FlowBP keeps a no-gradient cached rollout for sampling, then builds a lightweight backward surrogate from cached and selectively re-forwarded velocities. This view separates four choices: the reward-model input, active set, integration weights, and bridge coupling, and recovers prior direct-gradient methods as particular settings. Within this framework, we instantiate three variants: FlowBP-Sparse uses sparse Euler reconstruction, FlowBP-Bridge adds controlled bridge coupling, and FlowBP-Lagrange raises the order of leap quadrature. All three bound
memory by the active-set size and limit gradient chaining to at most one Jacobian factor. Across SD3.5-M, FLUX.1-dev, and FLUX.2-Klein-base on preference, quality, and compositional metrics, the three variants improve over direct-gradient baselines on most metrics.
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All authors Ruoyu Wang, Boye Niu, Xiangxin Zhou, Yushi Huang, Tongliang Liu, Chi Zhang
Machine Learning
GRAFT: Gain-Recalibrated Adapters for Transformer-Based Neural Population Activity Modeling
Xiangsheng Ge and Yang Xie
Neural population activity models can recover rich temporal structure from binned spikes, but their read-in and readout layers often remain tied to a fixed set of recorded
neurons. This coupling limits reuse in long-term
brain-computer interfaces, where recorded
neuron identities, counts, and response statistics can change across days. We introduce GRAFT, a
Transformer-based neural population activity model that separates reusable temporal dynamics from a recalibratable
neuron interface. The
neuron interface controls how recorded
neurons enter and leave the shared backbone, and auxiliary gain and positional mechanisms support neural activity modeling inside the
Transformer. On MC Maze under the standard NLB'21 protocol, GRAFT reaches 0.3866 co-bps as an ensemble, setting a new state of the art on the primary co-bps metric among public and reported NLB'21 results. In a cross-day protocol constructed from the NLB'21 MC Maze
dataset series, GRAFT recalibrates from MC Maze to the scaled MC Maze
datasets (Large/Medium/Small) by updating only 9.21% of parameters, reaching 0.3749, 0.3112, and 0.3152 co-bps with restricted target-day support sets. These results show that the same interface-backbone separation supports both strong
Transformer-based neural population activity modeling and data-efficient cross-day recalibration.
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Machine Learning · Cross-listed from cs.AI
CIAware-Bench: Benchmarking Control Intervention Awareness Across Frontier LLMs
Joachim Schaeffer, Alexander Panfilov, Thomas Jiralerspong et al. (+4 more)
AI control protocols oversee untrusted models by monitoring their actions and modifying potentially unsafe steps, often using a trusted model. This partially tampers with the untrusted model's trajectory. If the acting model detects such an intervention, it may infer properties of the monitor and adapt to evade the control protocol. We introduce CIAware-Bench, a
benchmark for measuring control intervention (CI) awareness across frontier models. CIAware-Bench tests whether models can distinguish their own trajectories from those modified by a control intervention. The
benchmark comprises four task domains (essay writing, BigCodeBench, Bash Arena, and SHADE-Arena), with options to vary trajectory watermarking, side-task presence, and the control protocol. Evaluating thirteen acting models with eight intervening models shows substantial variation between settings and model pairs. CI awareness rises sharply for GPT-6 Astra and the Claude 5 models (Fable 5 and Opus 5). When explicitly probed, Astra reaches mean AUROC of 0.90 on Essay, 0.91 on BigCodeBench, 0.86 on Bash Arena and 0.77 on SHADE-Arena. Fable 5 and Opus 5 both reach 0.77 on Essay, with less consistent gains in the other environments. On SHADE-Arena, we demonstrate that telling an acting model that an action was replaced and asking it to adapt leads to moderate improvements in monitor evasion rates. In summary, our results highlight that control evaluations should already assume perfect CI awareness for conservative safety estimates, and that protocol design should explore countermeasures that make interventions harder to detect.
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All authors Joachim Schaeffer, Alexander Panfilov, Thomas Jiralerspong, Guillaume Lajoie, Jonas Geiping, Yoshua Bengio, Roland S. Zimmermann
Machine Learning
Flexible Kernels for Protein Property Prediction
Martin Jankowiak, Yerdos Ordabayev, Rudraksh Tuwani et al. (+4 more)
Despite its importance to applications in
protein design, predicting
protein properties like binding affinity and thermostability from sparse experimental data remains a significant challenge. Accordingly, we introduce a class of sequence kernels that exploit evolutionary substitution
matrices as well as local linearity and demonstrate that the resulting Gaussian processes provide data-efficient models of
protein property landscapes, frequently outperforming alternatives that rely on foundation model
embeddings. Furthermore–by learning what are in effect structure-aware substitution
matrices–we show that our kernels can readily incorporate structural information from foundation models. We demonstrate that these structure-conditioned kernels are well suited to multi-task learning across multiple
protein property landscapes and can decisively outperform local supervised learning methods.
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All authors Martin Jankowiak, Yerdos Ordabayev, Rudraksh Tuwani, Henry N. Ward, Hunter Nisonoff, James M. McFarland, Gevorg Grigoryan
Machine Learning · Cross-listed from cs.AI
What Fits (Into Few Tokens) Doesn't Overfit: Compression and Generalization in ML Research Agents
Martin Andres Bertran, Aaron Roth and Zhiwei Steven Wu
Reusing a held-out
benchmark adaptively should, in principle, invite overfitting. Yet
benchmark-driven machine learning (ML) has produced surprisingly little overfitting in practice. An attractive hypothesis is that successful ML strategies are highly compressible. We study this in the setting of LLM-driven research
agents, where the hypothesis becomes directly testable via two complementary information bottlenecks. In output compression, an exploration
agent adaptively searches for high-performance models using a validation set, and we test whether a fresh “reproducer
agent” can reproduce its performance given only an extremely short
prompt and the training data. In input compression, the explorer receives only one-bit feedback indicating whether each submitted model improves on the running best. Across 8
datasets spanning tabular classification,
vision,
language modeling,
diffusion modeling, and reward modeling, we find that these bottlenecks have little effect on performance: short
prompts and compressible feedback are sufficient to reproduce and find high-performance models. The hypothesis is falsifiable: when we deliberately induce validation-set overfitting, the results fail to reproduce with short
prompts. Taken together, our results support a description-length explanation for the lack of overfitting in
benchmark-driven ML: successful strategies occupy a low-complexity region of strategy space.
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Machine Learning · Cross-listed from stat.ML
Generalized Conformal Predictive Systems Under Distributional Shifts
Jef Jonkers and Johanna Ziegel
Conformal predictive systems (CPS) output calibrated bands of CDFs under exchangeability. We extend generalized CPS to non-exchangeable settings by encoding distributional shifts through observation-specific permutation weights. This yields shift-aware predictive systems that remain valid whenever the test point is, conditionally on the unordered sample, a weighted draw from the observed atoms. Since such weights are typically estimated, we introduce weight-uncertainty boxes and construct robust CPS envelopes with finite-sample or asymptotic confidence guarantees. We derive efficient computation for conformity-measure CPS, conformal binning, and conformal isotonic distributional regression. Experiments under
covariate shift and feedback-driven biomolecular design show calibrated predictive bands that widen under stronger shifts and tighten as sample size increases.
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Machine Learning
AuRA: Internalizing Audio Understanding into LLMs as LoRA
Bo Cheng, Lei Shi, Zhanyu Ma et al. (+5 more)
Recent efforts to extend large
language models (LLMs) to
speech inputs typically rely on cascaded ASR-LLM pipelines, end-to-end
speech-
language models, or bridge/
distillation-based adaptation. While these routes respectively reuse strong pretrained components, enable native
speech-
language interaction, or offer lightweight adaptation, they often suffer from transcript-interface latency, costly
multimodal training, or sequential
speech-
language coupling. To address these limitations, we present AuRA, a method that distills audio encoding capability into the LLM. Specifically, AuRA feeds the same
speech input to an ASR encoder (as a teacher) and a LoRA-adapted LLM (as a student) through a lightweight audio
embedding layer, and uses layer-wise
distillation to align the student's hidden states with corresponding teacher representations, thereby internalizing
speech representations into lightweight LLM-side adaptations. Compared with cascaded and serial bridge methods, AuRA enables tighter
speech-
language joint modeling and efficient parallel end-to-end inference, while also reusing pretrained
speech and
language models rather than requiring large-scale
multimodal training. On multiple
speech-
language benchmarks, AuRA consistently outperforms cascaded systems,
speech-to-LLM adaptation baselines, and large-scale
speech-
language and
multimodal models in both effectiveness and efficiency.
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All authors Bo Cheng, Lei Shi, Zhanyu Ma, Yuan Wu, Jun Xu, Jiuchong Gao, Jinghua Hao, Renqing He
Machine Learning
Flow-DPPO: Divergence Proximal Policy Optimization for Flow Matching Models
Bowen Ping, Xiangxin Zhou, Penghui Qi et al. (+3 more)
Recent work has demonstrated that online reinforcement learning (RL) can substantially improve the quality and
alignment of flow matching models for image and
video generation. Methods such as Flow-GRPO and CPS cast the denoising process as a Markov Decision Process and apply PPO-style ratio clipping to enforce a trust region. However, we argue that ratio clipping is structurally ill-suited for flow models: the probability ratio between new and old policies is a noisy, single-sample estimate of the true policy divergence, leading to over-constraining in some regions of the trajectory and under-constraining in others. We propose Flow-DPPO (Flow Divergence Proximal Policy Optimization), which replaces ratio clipping with a divergence proximal constraint. A key observation is that the per-step policy in flow models is Gaussian, enabling exact and cheap computation of the KL divergence between old and new policies. Flow-DPPO employs an asymmetric divergence mask that blocks gradient updates only when they simultaneously move away from the trusted region and violate the divergence threshold. Experiments show that Flow-DPPO achieves higher rewards with better KL-proximal efficiency, alleviates catastrophic forgetting, promotes balanced multi-objective optimization, and enables stable multi-epoch training where ratio clipping degrades. Code and models are available at https://github.com/Tencent-Hunyuan/UniRL/tree/main/FlowDPPO.
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All authors Bowen Ping, Xiangxin Zhou, Penghui Qi, Minnan Luo, Liefeng Bo, Tianyu Pang
Machine Learning · Cross-listed from cs.IR
Generative Archetype-Grounded Item Representations for Sequential Recommendation
Yifan Li, Jiahong Liu, Xinni Zhang et al. (+5 more)
Sequential recommendation aims to predict users' next interaction with items by analyzing their historical behavior. However, the limited quality of item representations remains a critical bottleneck. While pre-trained large
language models (LLMs) can provide rich semantic representations, existing approaches only rely on static encoding of fixed attributes, overlooking the crucial role of target audiences in defining item identity. Moreover, the semantic space struggles to reflect actual user behavior, resulting in a significant gap between semantic representations and behavioral patterns. To address these limitations, we propose GenAIR, a general framework that empowers sequential recommendation with Generative Archetype-grounded Item Representations. Specifically, we first leverage an LLM to analyze item metadata and infer textual description of the Archetype, which represents the conceptual profile of the item's ideal target audience. We then extract the corresponding
embeddings in a single forward pass. Further, to ground these generative archetypes in real-world behavior, we introduce a behavioral calibration objective, which explicitly incorporates behavioral signals from actual interactions. This objective adjusts the structure of the
embedding space to reflect empirical patterns. GenAIR enables seamless integration with most existing models while maintaining high efficiency. Comprehensive experiments conducted on three real-world
datasets demonstrate that GenAIR significantly improves the performance of various sequential recommendation models and consistently outperforms state-of-the-art baseline approaches. Implementation codes are available at https://github.com/AI-Santiago/GenAIR.
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All authors Yifan Li, Jiahong Liu, Xinni Zhang, Hao Chen, Yankai Chen, Wenhao Yu, Jianting Chen, Irwin King
Machine Learning
Data-Driven Runway and Taxiway Exits Prediction of Landing Aircraft: A Case Study at Hartsfield-Jackson Atlanta International Airport
Alex Porcayo, Yutian Pang, Maria Thomas et al. (+1 more)
Airport surface operations increasingly constrain performance at high-throughput hubs. This study examines arrival taxi-in decisions at Hartsfield-Jackson Atlanta International Airport (KATL) and proposes a two-stage, data-driven decision aid that mirrors controller workflow. Stage I predicts the runway exit selected by an arriving aircraft. Stage II predicts whether, given that exit, the aircraft will cross the active departure runway at a designated point or use the end-around taxiway. Models are trained using ASDE-X surface trajectories, aircraft characteristics, ramp destinations, short-horizon traffic rates, and weather across multiple look-back windows. We
benchmark nine classifiers, including Random Forest, XGBoost, LightGBM, and CatBoost, and evaluate accuracy, macro-F1, precision-recall behavior, confusion
matrices, Brier score, and Expected Calibration Error. Across east and west flows, XGBoost and LightGBM outperform Random Forest. Stage I achieves 0.86-0.89 accuracy with macro-F1 scores of 0.40-0.50, while Stage II achieves 0.70-0.74 accuracy with macro-F1 scores of 0.28-0.55. Feature-importance analysis shows that approach speed is the main driver of exit choice. Departure rate, crossing rate, ramp destination, and, for west flow, the selected exit are the strongest predictors of crossing versus end-around routing. Minority classes remain harder to predict because of feature-space overlap, as shown by t-SNE and UMAP analyses. The proposed framework supports controller situational awareness through calibrated, explainable predictions while preserving human responsibility for final routing decisions.
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All authors Alex Porcayo, Yutian Pang, Maria Thomas, John-Paul Clarke
Machine Learning · Cross-listed from quant-ph
Analog Quantum Asynchronous Event-Based Graph Neural Network
Kristian Sotirov, Shaheen Acheche, Antonio A. Gentile et al. (+1 more)
Asynchronous, event-based graph neural networks (AEGNNs) have recently emerged as an efficient paradigm for processing the sparse and high-temporal-resolution data from event cameras. In this paper, we propose
quantum analog AEGNNs (QA-AEGNNs), a novel framework to implement an AEGNN on a neutral-atom
quantum computer. Neutral-atom
quantum processors offer a programmable analog
quantum computing platform based on controllable Rydberg-atom interactions. To this end, we map the streaming event data to an array of trapped neutral atoms, where each atom represents a graph node (event) and is positioned such that
geometric proximity reflects the spatio-temporal neighborhood of events. The native Rydberg
Hamiltonian of the
quantum processor is programmed to mirror the message-passing computations of the AEGNN, with atomic
qubit states serving as node feature
embeddings and inter-atom interactions realizing graph edges. Furthermore, we propose a hybrid
quantum-classical training scheme in which the analog
Hamiltonian parameters (e.g.,
laser pulse amplitudes and detunings) are optimized using classical feedback to learn the
quantum AEGNN model from data. Our approach leverages the continuous
Hamiltonian dynamics and massive parallelism of neutral-atom
quantum systems to natively execute event-based graph computations with potential accuracy improvements
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All authors Kristian Sotirov, Shaheen Acheche, Antonio A. Gentile, Osvaldo Simeone
Machine Learning · Cross-listed from math.OC
Learning Doubly Sparse Explicitly Conditioned Transforms
Tudor Pistol
Finding convenient spaces in which certain hypotheses regarding an assumed sparse structure of natural signals hold true has become a desirable result in recent research, its implications being reflected in areas such as data compression, noise reduction and feature extraction. While the extensively used analytical transforms, such as DFT or DCT, already provide efficient
algorithms and robust sparse representations, they assume a fixed prior about the data, failing to accurately capture the specific structure of more restrictive classes of signals. To address this, the concept of a data-adaptive, learnt transform has been introduced in the literature, allowing for the reduction of a residual term in the transform domain. More recent studies have shown that the condition number serves as a good metric in this context, where the desired outcome alternates between a generalizing tendency and one that achieves minimal approximation error. Motivated by these considerations, we introduce the learning of a structured, explicitly conditioned transform formulated as the product of a fixed canonical
matrix and a refining data-adaptive sparse component. This approach seeks to preserve the advantages of fast and stable analytical transforms, while introducing controllable adaptivity to the data. No references that concern this specific formulation have been identified so far, indicating its novelty. The proposed
algorithm is motivated within the framework of inexact proximal methods, leveraging a newly derived closed-form projection operator. Empirical observations demonstrate state-of-the-art results on the doubly sparse transform learning problem and comparable performance with its dense variant at significantly lower computational costs and sometimes faster convergence and better avoidance of bad local minima.
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Machine Learning
Beyond Uniform Token-Level Trust Region in LLM Reinforcement Learning
Renjie Mao, Xiangxin Zhou, Lvfang Tao et al. (+7 more)
Reinforcement learning with verifiable rewards (RLVR) has become standard for improving LLM
reasoning. However, existing PPO-style trust-region mechanisms remain position-agnostic by enforcing uniform thresholds across all
tokens independently. This pointwise treatment conflicts with autoregressive generation in two critical ways. First, uniform thresholds ignore autoregressive asymmetry. Early-stage deviations produce compounding sequence-level drift, causing static thresholds to under-regulate early divergence and excessively constrain late-stage exploration. Second, evaluating
token-level divergence in isolation overlooks cumulative prefix drift, granting the same divergence allowance regardless of how far the conditioning history has already deviated from the rollout policy. To address this limitation, we propose CPPO (Cumulative Prefix-divergence Policy Optimization), a
token-level masking rule that aligns updates with a finite-horizon policy-improvement bound via two coupled mechanisms. First, a position-weighted threshold imposes stricter limits at early positions whose effects persist longer, relaxing constraints for late-stage
tokens. Second, a cumulative prefix budget tracks historical deviations, dynamically restricting further
token-level deviation to prevent compounding errors along the prefix. Empirically, CPPO enhances training stability and significantly improves
reasoning accuracy across various model scales.
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All authors Renjie Mao, Xiangxin Zhou, Lvfang Tao, Yixin Ding, Yu Shi, Yongguang Lin, Yuheng Wu, Honglin Zhu, Qian Qiu, Wenxi Zhu
Machine Learning
Population-Aware Physics-Informed Neural Particle Flow for Robust Spacecraft Bayesian Navigation
Batu Candan and Simone Servadio
Spacecraft
navigation often requires
Bayesian inference from sparse nonlinear measurements that produce curved,
multimodal, or geometrically constrained posterior distributions. Physics-informed neural particle flow (PINPF) addresses such problems by learning a deterministic prior-to-posterior transport field from the governing probability
evolution equation, but its particle-wise architecture does not explicitly account for the empirical particle population. This paper introduces population-aware PINPF (PA-PINPF), which conditions each particle velocity on a permutation-invariant Deep Sets representation of the complete particle set. PA-PINPF-State summarizes particle positions, whereas PA-PINPF-Feature summarizes the local physics-informed features, including likelihood and score information. Both retain the unsupervised PINPF residual and require neither posterior samples nor labeled transport trajectories. The methods are evaluated over 100 randomized time-difference-of-arrival tasks representative of RF cross-link and ground-station localization and 100 range-measurement tasks with an onboard sensor field-of-view constraint. Results demonstrate that population-level
Bayesian features provide useful global information for learned particle transport in nonlinear spacecraft-
navigation problems.
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Machine Learning
Express Language Modeling
Albert Gong, Annabelle Michael Carrell, Raaz Dwivedi et al. (+1 more)
We introduce a new tool, Express, for converting a non-causal
attention approximation into a causal approximation with matching approximation guarantees. When combined with the state-of-the-art Thinformer approximation, Express improves upon the best known causal
attention guarantees, delivering $\log^{3/2}(n)/s$ approximation error with only $O(s)$
memory and $O(s^2 \log^2(n))$ compression overhead for a sequence of length $n$. We pair these developments with an efficient I/O-aware Triton implementation, demonstrate substantial speedups over FlashAttention 2, and use Express to overcome four resource bottlenecks in the
language modeling pipeline: long-context prefill, KV cache compression, long-form
memory-constrained decoding, and long-form compute-constrained decoding.
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All authors Albert Gong, Annabelle Michael Carrell, Raaz Dwivedi, Lester Mackey
Machine Learning · Cross-listed from cs.NI
Generative Explainability for Next-Generation Networks: LLM-Augmented XAI with Mutual Feature Interactions
Kiarash Rezaei, Omran Ayoub, Sebastian Troia et al. (+3 more)
As artificial intelligence and machine learning (AI/ML) models become integral to network operations, their lack of transparency poses a significant barrier to operator trust. Existing explainable artificial intelligence (XAI) techniques often fail to bridge this gap for non-specialists, producing technical outputs that are difficult to translate into actionable insights. This paper presents a framework specifically designed to address this shortcoming. It leverages a moderately sized large
language model (LLM) and extends beyond the standard use of SHapley Additive exPlanations (SHAP) feature influence values. The framework employs a structured
prompt enriched with mutual feature interaction data to generate human-understandable natural
language explanations. To validate our framework, we performed an empirical evaluation on an optical quality of transmission (QoT) estimation use case with human evaluators. We collected independent performance evaluations from specialists, which showed a high inter-evaluator agreement. Compared to a state-of-the-art baseline that uses only SHAP feature influence values in a straightforward
prompt, our approach improves the explanation usefulness and scope by 12.2% and 6.2%, while achieving 97.5% correctness.
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All authors Kiarash Rezaei, Omran Ayoub, Sebastian Troia, Francesco Lelli, Paolo Monti, Carlos Natalino
Machine Learning · Cross-listed from cs.CV
Democratising Camera Trap AI: An Open-Source Model for Detecting UK Mammals
Paul Fergus, Philip Stephens, Russell A. Hill et al. (+8 more)
Camera traps have become a cornerstone of biodiversity monitoring, but the artificial intelligence that turns vast quantities of images into usable ecological data is often locked behind commercial platforms or trained on fauna that does not match that of the British Isles. In an attempt to remove barriers and increase uptake, we release an open-source object detection model for 31 classes, 28 common UK mammal and bird species, plus utility classes for humans, calibration poles, and vehicles, drawn from a curated
dataset of 48,165 labelled instances assembled from multiple sites over a decade of operational deployment through Conservation AI and its successor, Trap Tracker. The model, a YOLO26x detector trained and tested on an 80/10/10 class-stratified split, achieves a mean Average Precision of 0.984 at Intersection over Union (IoU) of 0.5 (0.956 at IoU 0.5-0.95) on the held-out validation set, with precision 0.988 and recall 0.965. On an unseen held-out test split, mean per-species confidence ranged from 0.96 to 0.99 across the 31 classes, with a 0.17% false-negative rate concentrated in difficult night-time, distant, or occluded images. These metrics are from data from the same pool of sites and cameras as training, so performance at entirely new sites is left to future work. We release the trained weights in ONNX format under a non-commercial licence, with local desktop and real-time camera support, aimed explicitly at ecologists with no machine-learning experience. This release is a deliberate counterweight to the multiple paid for models that have developed over the last decade.
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All authors Paul Fergus, Philip Stephens, Russell A. Hill, Lee Oliver, Katie Appleby, Sarah Beatham, Naomi Davies Walsh, Stuart Nixon, Naomi Matthews, Chris Sutherland, Kelly Hitchcock