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Thursday 1 October

Machine Learning · Cross-listed from cs.CL

Scalable, Transferable Meta-network for Data Selection Requires a Different Loss (and Why the Obvious Choice is Problematic)

Data selection is critical for training large language models on massive and heterogeneous corpora. Meta-learning for Training-data Selection offers a principled alternative to heuristic scoring by learning data weights from a target validation objective, but existing methods face a trade-off between fine-grained valuation and transferability to unseen data. A natural solution is to replace per-sample weights with a selection network. However, we find that directly incorporating such a network into existing MTS objectives leads to unstable optimization and poor generalization, caused by weight suppression and persistent reliance on easy-to-learn features. To address these issues, we propose Transferable Example Scoring and Selection (TESS), a scalable data-selection framework built on a Pointwise Value Matching objective (PVM). Experiments on LLM safety and targeted instruction tuning demonstrate strong transfer across datasets, from subsets to full corpora, and from smaller to larger models.
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Machine Learning · Cross-listed from math.NA

Kolmogorov-Arnold Networks for Free-Boundary Partial Differential Equations

We study free-boundary problems within a physics-informed framework using Kolmogorov-Arnold network (KAN) approximations. The proposed approach incorporates obstacle constraints, partial differential equation (PDE) inequalities, complementarity conditions, and boundary conditions through residual-based loss functions. We consider a linear elliptic obstacle problem, a nonlinear $p$-Laplacian obstacle problem, and a time-dependent one-phase Stefan problem. The proposed KAN solver is compared with physics-informed neural network (PINN) and residual-network baselines. Numerical experiments show that KANs achieve low relative $L^2$ and $L^\infty$ errors while accurately resolving contact regions and moving interfaces. The results indicate that KAN representations provide an effective alternative for solving free-boundary PDEs.
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Machine Learning · Cross-listed from stat.ML

Wasserstein Gradient Flows and Forward-Only Diffusion Are Not Enough for Multimodal Sampling

There has been a proliferation of sampling algorithms based on Wasserstein gradient flows (WGF) and forward-only diffusion processes (FODP), often accompanied by theoretical guarantees of exponentially fast convergence to the target distribution. These guarantees are frequently interpreted as evidence that such methods can efficiently sample complex multimodal distributions, often supported by empirical results. In this work, we argue that this interpretation is fundamentally misleading. By invoking the Jordan-Kinderlehrer-Otto (JKO) scheme and Otto calculus, we establish that the canonical WGF sampling dynamics and overdamped forward diffusion share the same density evolution and therefore inherit the same metastability and slow-mixing phenomena long understood in nonequilibrium statistical physics. We analyze this family of samplers using two complementary tools – spectral analysis and mean first-passage time (MFPT) analysis – and show that well-separated multimodality can induce exponentially long mixing times associated with small spectral gaps and rare inter-mode transitions. For the commonly adopted log-linear annealing schedule studied here, we find that introducing intermediate distributions does not remove the exponential scaling of the total transport time. The limitation is structural rather than implementation-specific: purely local, gradient-driven transport mechanisms can require exponentially long times to transport probability mass across well-separated modes. We argue that this represents a fundamental limitation of WGF- and FODP-based sampling in their standard forms, and motivates future development of fundamentally nonlocal mechanisms for efficient multimodal sampling.
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All authors Daniel McBride, Pratik Khandagale, Cristina Garcia-Cardona, Yen Ting Lin

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

AI Emulation of Stochastic Sudden Stratospheric Warming with Interpretable Latent Structure

Rare weather regime transitions pose a challenge for data-driven modeling due to class imbalance. In this study, we develop a probabilistic deep learning emulator for a prototypical system with regime transitions, the stochastic Holton–Mass model of stratospheric variability, and analyze the structure of its learned latent space. The Holton–Mass model exhibits two metastable regimes, a strong and a weak polar vortex, maintained by nonlinear wave–mean flow interactions, with weak stochastic forcing intermittently triggering rare transitions between these regimes that qualitatively represent SSW events. We employ a ResNet-inspired Conditional Variational Autoencoder with six-layer encoder and decoder layers and explicit current-state conditioning to model the distribution of the system's state at the next time step (one day). The emulator accurately reproduces short-term dynamics, steady-state probability distributions, regime persistence statistics, rare transition rates, the transition committor function, and the transition expected lead time of the physical model. Beyond emulation fidelity, we interrogate the learned latent representation to understand how the model internalizes the underlying metastable structure of the dynamics. Principal Component Analysis of the 32-dimensional latent space reveals a clear and unsupervised separation into four physically interpretable clusters corresponding to strong versus weak vortex regimes and stable versus transition-prone configurations. Such emergent regime separation in latent space is hard to identify for deep generative models applied to high-dimensional stochastic systems. Our results show that carefully designed probabilistic emulators can uncover physically meaningful manifolds governing extreme-event dynamics, potentially aiding the development of improved operational advanced warning systems.
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All authors C. Daniel Boscu, Daniel Hernandez, Fabio Alvarez Ventura, Justin Finkel, Ashesh Chattopadhyay, Pedram Hassanzadeh, Dorian S. Abbot

Machine Learning · Cross-listed from quant-ph

Sequential Capacity of Quantum Processes with Finite Memory

How complex can the responses of a quantum device become as it runs longer with a fixed internal memory? We quantify this complexity through sequential response capacity: how many adaptive testing stages, each using a fresh run, can continue to separate possible processes by a prescribed gap in response probabilities. For fixed system and memory sizes, we establish a tight law relating this capacity to run length and probability resolution. At fixed resolution, the capacity grows on the order of $K\log K$, where $K$ is the number of time steps in each run. Our construction attains this growth using time-dependent phase rotations on a single visible qubit with no additional internal memory; its tests give response probabilities exactly zero or one. Under the same tests, classical stochastic processes that measure in a fixed basis at every step have only linear capacity at fixed sizes and resolution. For phase sequences selected by a stored classical label, we then quantify how known independent Pauli noise changes this logarithmic enhancement. With ideal controls and weak residual phase noise after correction, we prove matching capacity bounds at a fixed small probability gap. These bounds identify the inverse residual phase-flip probability as the coherence timescale that limits the extra logarithmic growth.
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Machine Learning

Learn the Directions, Normalize the Gains: Post-Training Normalization for LoRA

While Low-Rank Adaptation (LoRA) enables efficient task specialization, its learned updates can compromise capabilities beyond the target task. We identify adaptation imbalance: a few singular directions dominate the trained update, leaving its performance sensitive to how gains are allocated. We argue that learning where to adapt does not ensure that adaptation gains are well balanced. This motivates LoRA-Norm, a post-training normalization method that retains learned directions while rebalancing their gains. LoRA-Norm combines spectral rebalancing, a fixed nonlinear transformation of singular values, with nuclear-norm restoration, which preserves the original total spectral mass. It requires no calibration data or additional training and introduces no inference overhead. Across two backbones and three adaptation tasks, LoRA-Norm improves average specialization and capability retention, outperforming the evaluated post-hoc spectral pruning and gradient-guided editing configurations on both measures. Stronger functional equalization brings no consistent additional gains, revealing that balancing adapter gains and equalizing their responses are distinct objectives.
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All authors Zailong Tian, Yanzhe Chen, Zhuoheng Han, Houfeng Wang, Lizi Liao

Machine Learning

Foundations without Fundamentals: Zero-Shot Blind Spots in Time Series FMs

Despite the success of Time Series Foundation Models (TSFMs) on broad benchmarks, their ability to internalize basic temporal logic, especially in settings supported by exogenous covariates, remains under-examined. We introduce SimpleTimeBench, a diagnostic univariate and multivariate "unit test" suite for primitives such as monotonic trends, periodic signals and leading indicator covariates, scenarios where near-perfect forecasts should be trivial. Surprisingly, prominent multivariate TSFMs (Chronos-2, Moirai and Toto) frequently produce suboptimal zero-shot forecasts for these inputs. While fine-tuning Chronos-2 improves its behaviour on specific tasks, we show that this adaptation degrades performance on other fundamental patterns rather than enhancing its generalizable foundational capabilities. This reveals a gap between pre-training scale and basic temporal reasoning, suggesting that current TSFMs could potentially lack the inductive biases needed to capture simple predictable functions. We further demonstrate that these failures are not merely synthetic curiosities: they persist in real-world sensor forecasting, where TSFMs consistently underutilize leading indicators available in observed covariates. This inability to capture simple relationships limits the practical utility and reliability of current multivariate models.
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All authors Nafiseh Ghoroghchian, Haipeng Zhang, Shuyi Han, Alex Labach, George Stein

Machine Learning

Distributionally Robust Schrödinger Bridge

Schrödinger bridge (SB) learns stochastic transport between prescribed initial and target distributions. When the initial distribution shifts at test time, the learned dynamics can fail to recover the target distribution. We introduce the Distributionally Robust Schrödinger Bridge (DRSB), which learns a single controller that accounts for uncertainty in the initial distribution. The DRSB objective consists of control energy and a KL penalty between the resulting terminal distribution and the target distribution. DRSB seeks a single controller that minimizes the worst-case value of this objective as the initial distribution varies within an ambiguity set around the nominal distribution. We derive an exact variational formulation of this objective and connect its fixed-terminal-cost subproblem to stochastic optimal control and distributionally robust optimization. This formulation motivates an alternating algorithm that updates the adversarial initial distribution, estimates the terminal log-density ratio, and trains the controller. We develop Wasserstein and Sinkhorn variants using stochastic control optimality conditions to approximate the gradients required for adversarial updates. Experiments on two-dimensional transport tasks and image-to-image translation show improved robustness to input perturbations relative to standard SB, with a tradeoff in nominal performance. On Gaussian mixture transport, Sinkhorn DRSB also achieves lower mean sliced Wasserstein distance than fixed-level noise augmentation at both tested unseen noise levels.
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All authors Jinhwan Sul, Panagiotis Theodoropoulos, Vincent Pacelli, Jaemoo Choi, Evangelos Theodorou

Machine Learning

CARM: Cancellation-Aware Response Masking for LLM Reinforcement Learning

Recent years have witnessed the rapid adoption of reinforcement learning (RL) in large language model (LLM) post-training, with substantial gains in mathematical reasoning and code generation. In practical systems, however, policy updates and differences between rollout and training engines can make sampled responses off-policy. Sequence-level masking addresses this mismatch by deciding whether an entire response should contribute to optimization. A common masking rule uses the length-normalized geometric mean of sampled token probability ratios. Its signed log-ratios can cancel across positions, concealing substantial bidirectional policy drift. We propose Cancellation-Aware Response Masking (CARM), a sequence-level mask that takes the absolute value of each token log-ratio before averaging, preventing opposing probability changes from canceling. We prove that accepted responses satisfy a joint bound on the fraction of sampled-token ratios outside a prescribed band and their mean log-distance beyond its boundaries. Experiments on mathematical reasoning and code generation show that CARM improves mean@16 averaged over AIME 2024/2025/2026 and BeyondAIME by up to $3.13$ percentage points over geometric-mean masking, and increases average pass@1 across four code benchmarks by $2.88$ points over the strongest evaluated baseline. These findings support CARM as a theoretically grounded and effective method for response-level off-policy control in LLM reinforcement learning.
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All authors Yafei Zhang, Songshuo Lu, Sicong Liao, Zhi Chen, Yaohua Tang

Machine Learning

Relative Transitions, Not Absolute Destinations: A Transfer-and-Ground Framework for Target-Trajectory-Free Human Mobility Generation

Individual mobility trajectories support urban analysis and location-based services, yet most trajectory generators require observations from their deployment city. This assumption excludes precisely the cities where trajectories are unavailable even though points of interest (POIs) and their attributes can be obtained from public maps. We study target-trajectory-free generation: learning from POIs and trajectories in source cities while utilizing only POI coordinates and categories in a target city, with no target trajectory or trajectory-derived statistic available for training, model selection, or generation. Existing trajectory generators typically predict absolute destinations, entangling reusable movement behavior with city-specific POI identities and spatial layouts. Our core insight is to replace this city-bound output with context-conditioned relative transitions. We propose Nomad, a transfer-and-ground framework that separates learning how people move from determining where those movements are realized. Specifically, a history-conditioned flow-matching model learns from source trajectories a transition prior over semantic displacement between POI contexts, geographic displacement, and elapsed time; at inference, a behavior graph and an exploration–return walk ground sampled transitions onto the target POI map. This factorization enables a direct test of representation level transferability without assuming invariance of the full mobility distribution. Extensive experiments across ten cities and 14 transfers show that Nomad outperforms adaptation baselines in trajectory fidelity and downstream utility, lowering the average error over the best baseline of each metric by about 15% in distributional fidelity and about 3% in downstream utility.
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All authors Yidi Wang, Yunhe Zhang, Bangchao Deng, Dingqi Yang, Pengyang Wang

Machine Learning

On Language Drift during RLVR Post-Training

Recent advances in LLM reasoning models—driven primarily by the paradigm of post-training via reinforcement learning with verifiable reward (RLVR)—have enabled them to accomplish impressively complex tasks. However, in parallel with their rising capabilities, LLMs have increasingly displayed signs of language drift in their chains of thought (CoTs): unusual, non-standard, and seemingly nonsensical language use. Although it is well-documented—and can potentially impair CoT monitorability—the causes of language drift are thus far poorly understood. In this paper, we identify the conditions under which language drift occurs: we prove theoretically that RLVR optimization pressure permits unbounded language drift, while supervised fine-tuning does not. We then show empirically that language drift specifically arises during RLVR on novel reasoning tasks—i.e. when the target behavior cannot be drawn out of the base model. Finally, we prove that it is not possible to constrain language drift without constraining expected reward, suggesting that CoT monitorability cannot be improved without harming performance during RLVR post-training at the frontier.
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Machine Learning

BranchIP: Learning Adaptive Equivariant Computation for Interatomic Potentials

Equivariant machine learning interatomic potentials (MLIPs) have revolutionized atomistic modeling, but accurate treatment of complex materials and molecular systems demands expensive models. This limits simulation length- and time-scales, with tensor products a key computational bottleneck. The recent emergence of foundation-scale MLIPs further exacerbates this challenge. We present Branch Interatomic Potential (BranchIP), a single-model framework for learned adaptive tensor product computation, trained with a novel distillation loss. In our experiments on two systems of physical interest, a heterogeneous catalysis system and a proton-conducting solid acid electrolyte, BranchIP accelerates MLIPs across model sizes by up to $2.4\times$ while reducing memory usage by up to $2.6\times$. This is achieved while maintaining physical fidelity. Furthermore, the learned adaptive computation provides model interpretability by revealing which interactions demand deeper computation and showing how computational depth relates to chemical complexity and dynamics.
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All authors Laura Zichi, Gil Harari, Chuin Wei Tan, Marc L. Descoteaux, Albert Zhu, Menghang Wang, Yoel Zimmermann, H.T. Kung, Boris Kozinsky

Machine Learning

Bellman Meets Lyapunov: Unsupervised Reinforcement Learning via Mastering Chaos

Reinforcement learning (RL) is a powerful paradigm for training agents, yet its success rests on domain expertise of human engineers who design informative reward signals for every new task. Unsupervised RL aims to reduce this engineering with intrinsic motivation (IM): reward signals that emerge from the agent environment interaction itself. Existing IM objectives, however, involve the selection of information variables, which re-introduces domain expertise the field has sought to eliminate. We introduce Forward CIP (F-CIP), an RL-native formulation of the Controllable Information Production (CIP) objective, which is defined by the system's dynamics alone and requires no such selection. We prove that F-CIP is compatible with RL and demonstrate its effectiveness with existing algorithms. Training agents with F-CIP results in unsupervised discovery of primitive behaviors such as balancing and maintaining controllability, which are essential for more complex robot behaviors. Paired with a simple forward-velocity reward, our method produces coordinated gaits such as hopping and running which otherwise require reward engineering to learn.
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All authors Tristan Shah, Wooyoung Chung, Volodomyr Makarenko, Juan Wachs, Stas Tiomkin

Machine Learning · Cross-listed from cs.CV

Weather-Aware Domain Adaptation for Street-View Weather Recognition

Adverse conditions such as rain, snow, fog, and dust remain challenging for camera-based perception in autonomous driving. We study multi-class weather recognition from street-view images under domain shift, where most available training data come from non-street-view sources that differ markedly from real driving scenes. We propose Weather-Aware Adversarial Discriminative Domain Adaptation (WA-ADDA), which conditions the domain discriminator on predicted weather to promote features that are both domain-invariant and weather-sensitive. We also assemble a multi-dataset benchmark by unifying diverse non-street-view weather collections as sources and real street-view images as targets, and define a standardized evaluation protocol with macro accuracy as the primary metric. Across backbones (ResNet-50, EfficientNet, VGG, DenseNet), WA-ADDA consistently improves street-view performance and yields strong per-class recalls in challenging conditions while preserving clear-weather accuracy. These findings highlight the feasibility of domain-adapted weather recognition and the value of our benchmark for advancing robust, on-board perception.
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Machine Learning · Cross-listed from cs.CV

Comparing a gradient boosting algorithm to the GOES FDC for wildfire detection

Wildfires pose severe risks to human life, ecosystems, and property. This study presents a machine learning approach for wildfire detection from GOES ABI imagery. A CatBoost model was trained on a large dataset with thousands of ABI images and over 300,000 matching VIIRS fire detections. An evaluation on a separate dataset across five regions showed that the learned CatBoost model outperformed the operational GOES Fire Detection and Characterization (FDC) product. It achieved higher precision, recall, and F1 scores both within and outside the training area. The CatBoost model achieved F1 scores that were 0.16 to 0.38 higher than the GOES FDC in all regions. In addition, out of 51 historical fire events, the CatBoost detected 26 fires before both VIIRS and GOES FDC, compared to only six earlier detections by the GOES FDC. Importantly, the CatBoost model achieved accurate wildfire detection also during nighttime, whereas the GOES FDC obtained very low recall values, around 0.03. This study demonstrates that machine learning models may offer significant improvements over existing geostationary fire products, including higher accuracy, fewer false alarms, and earlier detection.
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Machine Learning · Cross-listed from cs.CL

Universal Byte-Level Encoding: UTF-8/UTF-16 Routing to Reduce Cross-Script Token-Budget Disparities

Byte-level byte-pair encoding (BBPE) tokenizers are attractive for multilingual large language models (LLMs) because they cover all Unicode text. In UTF-8-based BBPE, however, many scripts start from a higher fallback cost than English: when no learned merges can be applied, a multibyte character requires multiple byte-derived symbols. We call this worst-case pre-merge cost the encoding floor. A higher floor can increase token counts and per-request cost and shrink usable context. Changing the text encoding can reduce this gap, but a single global encoding can make already-efficient English spans more expensive in mixed-script text. We propose Universal Byte-Level Encoding (UBE), a dual-alphabet tokenizer that keeps 1-2-byte UTF-8 characters on the UTF-8 path while routing 3-4-byte UTF-8 characters through UTF-16. This lowers the encoding floor for 3-byte Basic Multilingual Plane (BMP) characters in scripts with high token premiums (token counts relative to English) without raising it for already-efficient spans in mixed-script text. UBE changes only the byte representation presented to byte-pair encoding (BPE); the merge rule remains standard, and exact decoding is preserved. UBE also composes with alternative boundary policies and morphology-based representations. In a Unicode 17 audit, UBE exactly round-trips all Unicode scalar values and all inputs in the official normalization, grapheme-break, and emoji test suites. Across intrinsic evaluations, UBE lowers dispersion in English-normalized token-count ratios, reducing cross-lingual token-budget disparity. In multilingual language model (LM) experiments, UBE matches BBPE's LM quality. In the main multilingual settings, UBE reduces token counts most for high-premium scripts and slightly lowers English token counts, yielding more usable context under fixed token budgets and faster prompt processing in content-matched benchmarks.
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Machine Learning

Universal interpolation for deep residual self-attention networks

Universal approximation is a necessary qualitative property of learning architectures to benefit from scaling laws. While it is generically verified on a variety of neural architectures and random feature models, it typically involves infinite width limits. In this work, we focus on deep self-attention models and consider instead the `dual' regime, where approximation power is enabled entirely by depth, and featuring strong parameter sharing across layers, motivated by recent models such as the Looped Transformers. More specifically, we ask whether one can find a predefined finite set of parameters, each defining an attention block, such that the resulting finite set of transformations can map any collection of $N$ sequences of $n$ tokens to any other collection of $N$ sequences of $n$ tokens. Crucially, these transformations are fixed independently of the input and output collections: only the order in which the blocks are applied, their signs, and their durations depend on the particular interpolation task. Our main result establishes it for residual softmax attention using only two frozen single-head blocks with Gaussian-initialized projection matrices. The result holds at both continuous and finite depth. We also characterize the restrictions imposed by causal masking and establish corresponding universal interpolation guarantees.
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Machine Learning

The Curvature of Regret in Contextual Linear Optimization

Decision-focused learning for linear optimization is complicated by the discontinuity of the optimizer, where small cost errors may leave the decision unchanged or move it to a different vertex. We show that this non-smooth pointwise behavior becomes locally quadratic after averaging over the data distribution, and we derive the curvature in closed form, specifically, a matrix-valued measure supported on the walls of the normal fan. This measure depends only on the feasible set, with the data distribution entering only as a weight. We then offer a tractable approximation for this curvature, computable with just one projection to the feasible set. We prove that the approximation weakly converges to the true population curvature. We offer one application of our findings, a decision-aware scenario generation method for expected-cost linear optimization. Our experiments test the quadratic and weak convergence laws and show a 30.8% regret improvement over uniform allocation on battery arbitrage.
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Machine Learning

Sim+Real: Joint Simulation-Experiment Training Improves Balanced Prediction in Physical Systems

Simulation and experimental measurements provide complementary data for learning spatiotemporal physical systems, but standard simulation-to-experiment fine-tuning optimizes only the experimental objective after transfer and can degrade simulation performance. We formulate simulation–experiment prediction as a multi-objective learning problem with domain-specific simulation and experimental risks. On four fluid systems from RealPDEBench and two model capacities, we compare Simulation only, Experiment only, Sim$\rightarrow$Exp, and Joint training, evaluating every final model on both held-out domains. Sim$\rightarrow$Exp tends to specialize more strongly to experimental data at the cost of simulation-domain forgetting. Joint training consistently achieves the best balanced performance over a broad range of simulation–experiment evaluation weightings, while substantially improving simulation retention over Sim$\rightarrow$Exp. Joint also better preserves simulation-only fields absent from experimental measurements. Project page: https://mahindrautela.github.io/morph.
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All authors Mahindra Rautela, Alexander Scheinker, Ayan Biswas, Diane Oyen, Nathan DeBardeleben, Earl Lawrence

Machine Learning

FastCI: Efficient GPU-Intensive CI for LLM Training Frameworks

As large language models (LLMs) keep growing in size and complexity, their training frameworks evolve at a rapid pace as well. Therefore, continuous integration (CI) is critical for maintaining the quality and stability of these frameworks. However, unlike traditional software, CI for LLM training frameworks relies on GPU-intensive tests, which usually involve complete model training or evaluation. This leads CI itself to become a new bottleneck for fast-paced development. In this paper, we introduce FastCI, a framework that improves the efficiency of CI for LLM training frameworks. FastCI leverages runtime evidence to select affected tests and prune tests that execute changed code in equivalent contexts. Then FastCI prioritizes high-risk tests to expose potential failures earlier, and optimizes test workloads along dimensions outside the intended validation scope of each test. Evaluated on the CI workload of our LLM training framework, FastCI reduces the CI latency by 77.5% and the GPU resource usage by 63.9%, while improving the modified code coverage retention by 3.2%, compared with the currently deployed CI pipelines. FastCI has now been integrated into the CI pipelines of our LLM training framework at ByteDance.
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All authors Tianshuo Qiao, Naiqian Zheng, Xiaopeng Liu, Shuguang Wang, Diandian Gu, Xuanzhe Liu, Xin Jin

Machine Learning · Cross-listed from cs.AI

Counterfactual Auditing of Bias in Open-Source Large Language Models for Clinical Triage

Emergency department (ED) triage is a high-stakes prioritization task in which demographic, socioeconomic, and system-context information may improperly influence acuity assignment. Although open-source large language models (LLMs) are increasingly considered for local and privacy-preserving clinical decision support, it remains unclear how counterfactual bias varies across model families, sizes, medical-domain models, and domain-adapted models. We present a comparative counterfactual audit of ten open-source LLMs for pediatric Emergency Severity Index (ESI) prediction. Starting from real and handbook-style clinical vignettes, we construct paired counterfactual variants that change only one injected demographic, socioeconomic, healthcare-access, behavioral, social, or system-context variable while holding the clinical presentation fixed. Models include Qwen2.5-7B, Qwen2.5-14B-Instruct, a QLoRA fine-tuned Qwen2.5-7B, MedGemma variants, MedLLaMA2-7B, GPT-OSS-20B, and GPT-OSS-120B. We measure any counterfactual shift, undertriage, overtriage, shifts greater than one ESI level, mean shift, and mean absolute shift. Counterfactual sensitivity varied substantially and did not consistently decrease with larger model size or medical-domain pretraining. The fine-tuned Qwen2.5-7B showed the lowest overall sensitivity, with a 5.27% any-shift rate and mean absolute shift of 0.0534, versus 16.02% and 0.1706 for the base model. Several larger or medical-domain models showed more significant shifts. Stratified and correlation analyses further revealed clinically important directionality and shared failure patterns hidden by aggregate rates. These findings support counterfactual auditing as a lightweight, clinically interpretable framework for comparing fairness risks in open-source LLMs before clinical deployment.
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All authors Manar Aljohani, Brandon Ho, Kenneth McKinley, Dennis Ren, Xuan Wang

Machine Learning

SIEVE: Selective attention-value Suppression for Vision-Language Models Unlearning

The ability of vision-language models (VLMs) to associate visual identities with biographical information creates a need for selective unlearning of personally identifiable information (PII) while preserving permitted knowledge about the same individual. This setting is challenging because both sensitive and retained information can share the same visual inputs and intermediate representations. We introduce SIEVE, a simple and effective framework for selective VLM unlearning. SIEVE directly regularizes attention-value representations while also controlling model outputs. SIEVE suppresses attention values for forget examples toward a constant zero, while preserving retain-example representations by matching them to a frozen reference model. These objectives are combined with sequence-level forget and retain supervision, enabling targeted forgetting without largely affecting retained knowledge. Extensive experiments show that SIEVE achieves state-of-the-art performance on unlearning with multiple model-modality settings, while maintaining competitive retained utility. Ablation studies further show that value suppression and negative cross-entropy contribute complementary forgetting signals, while reference-based value matching substantially reduces utility degradation. These results demonstrate that attention values provide an effective intervention point for selective multimodal unlearning when sensitive and retained knowledge are closely related.
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All authors Si Qi Goh, Cap Dang Xuan Kiet, Tat-Jen Cham, Kwok-Yan Lam

Machine Learning · Cross-listed from cs.RO

Training-Free Diffusion Planning with Analytical Local Scores

Path finding and multi-robot motion planning require trajectories that are smooth, goal-directed, and collision-free in environments with complex geometric constraints. Recent diffusion-based planners have shown that trajectory generation can be cast as iterative denoising which has opened the doors to learning-based approaches that can handle multi-modal trajectory distributions and refine entire trajectories. However, a key limitation is that diffusion planners require training on large collections of feasible trajectories, rendering them map-specific, and difficult to deploy when high-quality demonstrations are unavailable. This paper introduces a training-free diffusion-based motion planner that replaces learned global trajectory scores with analytical local scores derived from obstacle, smoothness, velocity, and inter-agent feasibility terms. The proposed idea relies on a key observation: the score of a trajectory can be reconstructed by considering only local interactions between neighboring waypoints and nearby constraints. This structure exploitation yields a decomposed denoising procedure that retains the optimization structure of classical trajectory methods while inheriting the iterative refinement behavior of diffusion models. Experiments on a large collection of complex environments and large multi-agent planning tasks show that the proposed analytical score produces smooth and feasible trajectories within limited computational costs, for example in generating feasible paths for 300+ agents in environments containing 100+ obstacles in under 6 seconds on a GPU, outperforming strong learning-based and optimization baselines, while avoiding the data requirements of learned diffusion planners.
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Machine Learning

Do Your Own Research: Learning to Forecast by Learning to Search

Outcome-based reinforcement learning can train language models to forecast real-world events, but prior forecasting work either freezes research context before training or deploys agentic research only at test time, so the skill of gathering evidence is never shaped by the reward. We introduce an agentic forecasting environment, dataset, and harness built from 2,100+ resolved Polymarket questions; the agent acquires its own context at rollout time (web search, page reading, and financial time series, all restricted by layered leak filtering to information published before each question's cutoff), and we train Qwen3.5-35B-A3B (3B active parameters) on it with single-epoch GRPO under a Brier-score reward. Training changes how the agent interacts with information: calibration improves 30-40%, and search attempts fall from 3.8 to 2.25 per rollout as evidence discipline is learned. Evaluated in an identical harness against four frontier models, the trained policy also finishes ahead of every frontier model tested at evidence-based forecasting, including Claude Opus 4.5 (soft-Brier 0.254 vs. 0.256, n=265), at about 5% of the inference cost, and its margin is widest on the hardest questions, the ones the crowd itself had not decided. We release the environment, dataset, and per-rollout records as a reusable harness for temporal forecasting agents.
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All authors Yusuf Afifi, Artur Kiulian, Anton Polishko, Mykola Khandoga, Hamudi Naanaa, Alina Krasnobrizha

Machine Learning

Sharp Non-Asymptotic Analysis of the Penalized Challenger in $\beta$-EB-TCI for Bernoulli Bandits

Top-two algorithms are simple and effective for fixed-confidence best-arm identification, but their sharp non-asymptotic behavior is still not well understood. We study this problem for Bernoulli bandits through $\beta$-EB-TCI, the empirical-best top-two rule of Jourdan et al., whose challenger is chosen using a Bernoulli transportation cost with a logarithmic count penalty. We prove that, after the empirical leader has become the true best arm and its sampling fraction stays close to $\beta$, the stopping time is $T_{\beta}^{\star}(\mu)\log(1/\delta)$ up to lower-order concentration terms. We also show that, in this regime, every challenger is sampled linearly often. Thus, for the original algorithm without forced exploration, the main remaining difficulty is to control when the empirical leader becomes permanently correct. These results imply a non-asymptotic high-probability bound for all Bernoulli instances with a unique best arm. If the algorithm satisfies a finite-mean sufficient-exploration condition, the bound further yields the sharp expected sample complexity. In particular, this gives the sharp expectation result for the unguarded Bernoulli rule when all arm means are pairwise distinct, using the sufficient-exploration result of Jourdan et al. Finally, if we add a mild forced-exploration rule that contributes only $O(\sqrt{Kt})$ pulls up to time $t$, we obtain a self-contained expected sample-complexity theorem for any number of arms under the unique-best-arm assumption. We also identify a limitation of proof strategies that try to handle equal suboptimal means through a single index-comparison argument.
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Machine Learning · Cross-listed from cs.CR

A Hybrid Approach to Malware Detection: Integrating Few-Shot Model-Agnostic Meta-Learning with Autoencoders

Ransomware has emerged as a major cybersecurity threat, with incidents increasing in frequency and impact across critical sectors. These attacks are typically launched through phishing emails, malicious downloads, or exploitation of software vulnerabilities to gain system access. Once inside, the malware encrypts files and demands a ransom, often in cryptocurrency, for the decryption key. Conventional detection methods often struggle with novel or scarce samples, leaving systems vulnerable. To address these challenges, this paper proposes a hybrid deep learning framework that combines an Autoencoder Feature Extractor (AFE) with a Model Agnostic Meta Learning (MAML) classifier for few shot malware detection. The AFE generates compact latent features that reduce noise and dimensionality, while the MAML classifier rapidly adapts to new threats using limited labeled data. Experiments conducted on the Ransomware Dataset 2024 demonstrate the effectiveness of the framework in binary classification tasks. Across one to fifty shot settings, the proposed model consistently achieves high accuracy, F1 score, and Matthews Correlation Coefficient values, maintaining reliable classification even under extreme scarcity. These results highlight the model's robustness and effectiveness in adapting to limited data scenarios, demonstrating the potential of combining feature extraction with meta learning to enhance resilience against malware, particularly in sectors such as healthcare, manufacturing, and public infrastructure, where cyberattacks can cause significant operational and financial disruption.
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All authors Emmanuela Andam, Yasir Abbas Zaidi, Abdelali Hadir, Emmanuel Grant, Naima Kaabouch

Machine Learning

Latent JEPA: Abstract Future Prediction for Latent Reasoning in Chemistry

Large language models offer a promising foundation for chemical reasoning, bringing together chemical knowledge and multistep problem solving. Chemical intuition can provide an initial sense of plausible outcomes before the details of a solution are fully worked out. Inspired by how such expectations complement explicit analysis, we study how continuous latent thoughts can be trained to anticipate informative aspects of future solutions without verbalizing every intermediate step. We introduce Latent JEPA, a framework that combines autoregressive learning with joint-embedding prediction of one or more future views. For chemical reasoning, we develop textual and molecular prediction objectives that connect latent thoughts to both subsequent reasoning and molecular outcomes. Experiments on ChemCoTBench show gains in molecular optimization and on several editing and reaction metrics. Representation analyses show that future prediction makes latent thoughts more informative about molecular outcomes and strengthens their correspondence with chemical structure. These findings support abstract future prediction as a learning principle for connecting continuous latent reasoning with scientific outcomes.
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All authors Xinjian Zhao, Yaoyao Xu, Xuemin Chen, Xiaozhuang Song, Tianshu Yu

Machine Learning

Graph Representation via Elements of Discrete Morse and Cobordism Theories

Topology is, by its nature and design, suited to structure that is nonlinear, multiscale, and nonstationary - however, within machine learning, its use remains largely confined to topological data analysis. We advocate that tools from low-dimensional topology which have remained almost exclusively contained within the domain of pure mathematics (such as Morse theory) offer a strong, complementary, and yet virtually unexplored perspective on the hidden structure of data-generating processes and learning tasks built upon them. Here we introduce concepts from cobordism theory and harness tools from discrete Morse theory to improve the performance of graph diffusion models through our pipeline MG-Diff. Further, we derive theoretical guarantees and sufficient conditions so that under a positive decision-gap, the Morse-theoretic tools and their application for induced diffusion guidance are stable under small perturbations. Finally, we illustrate the utility of discrete Morse theory in application to graph diffusion models for spatio-temporal graph forecasting and graph regeneration, and argue that these applications are only a small window into the part of what low-dimensional topology can offer to the field of machine learning.
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All authors Jennifer Rozenblit, Chenguang Yang, Yuxin Liu, Yuzhou Chen, Yulia Gel

Machine Learning

Learning to Predict Distributions over Weight Updates for Test-Time Adaptation

Hypernetworks have recently shown success in dynamically adapting the parameters of Large Language Models (LLMs) at runtime based on signals such as task descriptions or additional demostrations. Here we ask: how much adaptation signal can be obtained using only the input query to an LLM?. To answer this, we study query-conditioned Hypernetworks for LoRA estimation. Further, we introduce distributional Hypernetworks, able to produce not only point estimates of parameter adaptors, but also a distribution over possible LoRAs. For this we propose a simple end-to-end loss using a differentiable Monte Carlo approximation and explore multiple distribution parametrizations including regression and convex combination variants. Results show that even using the mean of the learned distribution can outperform deterministic hypernetworks. Crucially, the learned distribution enables a different form of test-time scaling: instead of spending additional compute only by sampling more token sequences from a fixed model, we sample weight updates, yielding multiple adapted models for the same query. Performance improves as more weight samples are considered and remains stronger than corresponding token-sampling adaptation baselines. Finally, we find that generated updates can transfer across queries, suggesting that the hypernetwork learns reusable structure in how the model should adapt. Together, these results show that query-conditioned distributions over weight updates can support both adaptation and test-time scaling.
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All authors Azal Ahmad Khan, Keshav Ramji, Tahira Naseem, Ali Anwar, Ramón Fernandez Astudillo

Machine Learning · Cross-listed from stat.ML

Error-Corrected Inference-Time Scaling for Imperfect Diffusion Models

Inference-time scaling adapts pretrained diffusion models to new sampling tasks without additional training. Existing methods rely primarily on Monte Carlo sampling with more particles, yet are premised on the pretrained model being exact. In practice, data and training limitations make the model imperfect, and these methods inherit its error. More particles reduce Monte Carlo error but cannot remove the mismatch between the endpoint and the desired target or the error in tracking the prescribed probability path. We introduce the Energy-based Feynman-Kac Corrector (EBFKC), a framework for energy-based diffusion models that corrects these errors on the fly given a reference energy. We first derive Feynman-Kac dynamics that track a prescribed path exactly in the continuous-time population limit even when the model is imperfect, and approximate these dynamics using sequential Monte Carlo with variance-controlling guidance. To remove the endpoint mismatch, we use the pretrained energy as a surrogate along the diffusion path and progressively incorporate the discrepancy between the learned and target terminal energies. Experiments on Gaussian mixture models, particle systems, alanine dipeptide, and alanine tetrapeptide show that our method closely matches target distributions and molecular free-energy profiles under annealing and reward tilting, whereas standard inference-time scaling baselines retain substantial sampling errors.
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All authors Zuokai Wen, Louis Grenioux, Weinan E, Jiequn Han