Papers

Reasoning in language allows foundation models to spend more test-time compute on hard problems, such as those requiring decomposition, constraint tracking, and prediction of future consequences. Whether this mechanism can improve robotic manipulation remains unclear, where long-horizon tasks require tracking partial progress, reasoning about object relations, recovering from mistakes, and steering noisy low-level policies. In this paper, we study whether VLMs can be trained to reason directly in natural language to guide low-level manipulation policies. We introduce $R^3$, a simple post-training recipe that turns off-the-shelf VLMs into robotic reasoners: it first mid-trains a VLM on expert-generated reasoning traces to initialize the desired reasoning style, then improves the reasoner with single-step rubric-based RL from offline action data. Unlike prior robotic reasoning methods that mostly use structured traces as auxiliary supervision, $R^3$ trains free-form language reasoning to produce test-time guidance for action. We instantiate $R^3$ on Language Table and simulated bimanual grocery packing, two controlled testbeds for studying robotic reasoning and long-horizon manipulation. $R^3$ improves exploration and generalization across unseen tasks and significantly outperforms instruction-only imitation learning baselines on both benchmarks. Our analyses suggest that free-form language reasoning can function as a test-time compute mechanism for steering low-level policies. Our project page is available at https://robotic-reasoner.github.io/.

Choosing the rank of a low-rank adaptation (LoRA) update is usually an empirical task. In this paper, we provide a task-dependent theory of the approximation error achievable at each LoRA rank for Transformer attention. We fix a pretrained attention head, a target attention function, and a distribution over inputs from the downstream task, and bound the smallest expected Kullback–Leibler (KL) error achievable by a rank-$r$ query LoRA update. When target attention probabilities are bounded away from zero, we prove a lower bound of the error proportional to $\psi(\|d\|_2)$, where $d$ is the difference between candidate and target attention scores and $\psi(t)=\min\{t^2,t\}$. We also prove an unconditional upper bound $\min\{\|d\|_2^2/4,\sqrt2\|d\|_2\}$. Under explicit realizability, geometry, and moment conditions, we then bound the best rank-$r$ error between an explicit multiple of $\psi(\sqrt{T_r})$ and $\min\{T_r/4,\sqrt{2T_r}\}$, where $T_r$ is the downstream-weighted tail energy of the target update. We also provide target-Fisher bounds when candidate scores remain within a fixed range of the target scores, and an unrestricted lower bound when a subset of tokens carries most of the probability mass. These spectral bounds describe finite-score approximation. We then construct explicit families in which softmax saturation makes the rank required to match the attention function strictly smaller than the rank required to match the finite logits. Finally, we extend the analysis to fused multi-head LoRA and joint query/key updates, exposing the effects of rank sharing and query/key factorization constraints.

Multi-norm adversarial defense aims to protect neural networks against perturbations defined by different norm constraints, but existing methods typically optimize competing robustness objectives within a single parameter configuration, leading to substantial training cost and unfavorable robustness trade-offs. We propose Robust CurveMoE, an efficient mixture-of-experts framework that connects models specialized for different perturbation norms through a low-loss path and exploits the complementary robustness profiles of models along this path. Robust CurveMoE derives clean and norm-specialized experts from robustness-constrained curve locations and selectively expertizes only influential layers, while sharing the remaining parameters across routing paths. To further reduce curve-construction cost, we introduce contribution-guided partial updating, which selects influential curve parameters using initialization-based gradient scores. We also theoretically bound the objective gap between partial and full curve optimization. Experiments on CIFAR-100 and ImageNet-100 with WideResNet and Vision Transformer architectures show that Robust CurveMoE consistently improves clean, norm-specific, and Union accuracy over MSD and ERMC. In particular, it improves Union accuracy by 2.37 and 2.13 percentage points over the strongest baseline on CIFAR-100 and ImageNet-100, respectively. Extensive ablations further validate the effectiveness of partial updating, selective expertization, and robustness-constrained expert selection.

On-policy self-distillation (OPSD) combines student generated trajectories with dense supervision from a privileged teacher of the same model. Its pointwise clipping protects the student from locally incompatible teacher directions, but the fixed teacher receives no feedback about the supervision the student rejects, which limits effective learning from the teacher. We introduce DualOPSD, which alternates updates in a coupled teacher-student system. The student retains OPSD's clipped forward KL objective. The privileged teacher adapts to the updated student after each student step. A residual target based on the frozen initial model preserves the effect of privileged context during teacher adaptation. Across Qwen3-8B/4B/1.7B and three math benchmarks, DualOPSD improves avg@12 accuracy over OPSD by 9.83 percentage points. Further diagnostic analyses show lower bidirectional KL, less persistent mismatch, and retained sensitivity to privileged reference. Together, these results demonstrate that DualOPSD can be a more effective form of privileged self-distillation. Code is available at: https://github.com/on1262/DualOPSD.

An automated theorem prover builds a proof step by step, choosing at each point what to add and what to remove. We cast this construction as a policy acting in a transition system induced by a formal calculus, which fixes which steps are sound: for clausal connection tableaux, leanCoP-style search and plCoP/rlCoP-style planning then become stateful policies over one interface, and policy-learning methods apply directly. We equip such policies with a graph neural network that scores proof edits from structure that transfers across problems, train it by imitation learning from found proofs, and measure how performance holds as we remove search scaffolding, from full symbolic backtracking to a policy the network drives alone. Within a fixed step budget on M2k, MPTP2078-bushy, and TPTP v9.2.1, learned policies solve up to 46% more problems than leanCoP, and reach proofs in an order of magnitude fewer steps.

Wearable electrocardiogram (ECG) and photoplethysmogram (PPG) sensors are complementary but individually fragile: motion artifact, poor contact, and sensor dropout can degrade one or both signals. Fusion strategies that assume both modalities are equally trustworthy can become less reliable than a single clean modality under degradation. We present CardioFusion-AI, a framework whose signal-processing front end, including R-peak and systolic-peak detection, an Orphanidou-type signal-quality index, and beat-by-beat pulse transit time estimation, is validated on 53 real intensive-care recordings (848 windows; heart-rate mean absolute error 1.61 bpm for ECG and 2.78 bpm for PPG) and a real annotated fetal ECG database (R-peak F1 0.89-0.98). We then conduct a controlled synthetic degradation study comparing eight ECG-PPG fusion strategies across six degradation regimes spanning graded corruption and complete modality loss, using five independent training seeds. Attention fusion achieved the lowest descriptive overall error (1.66+/-0.43 bpm). Both adaptive gates reallocated weight toward the healthy modality under complete modality loss, but showed near-zero correlation between gate weight and signal quality under graded degradation (r = 0.10-0.24). Signal-quality conditioning produced a specific improvement under missing-PPG conditions (1.56+/-0.59 bpm), approaching the 1.48 bpm unimodal ceiling. With only five training seeds, no pairwise comparison survives Holm-corrected significance testing; effect sizes and confidence intervals are therefore reported. These results indicate that modality availability and modality quality are functionally distinct problems for adaptive fusion.

Orthogonal optimisers such as Muon can substantially accelerate large language model pretraining relative to Adam, yet the mechanism remains incompletely understood. We investigate this through an out-of-sample spectral probing analysis of Transformer loss landscapes. At checkpoints along real training trajectories, we decompose each momentum buffer into its singular directions and estimate the loss-optimal step size along each direction on held-out data. The resulting spectral profile is anisotropic yet stable across batches and training stages, and consistent across the optimisers and model scales: a volatile head operating at the Edge-of-Stability supports a much smaller step size than the tolerant bulk, which permits substantially larger steps. This profile provides a unified spectral allocation account of why Muon outperforms Adam, which outperforms SGD. It also exposes a limitation of Muon's uniform scaling: it still underutilises the bulk. Guided by this finding, we introduce Spectral-Aware Muon (SAMuon), which holds the head at the Muon scale and amplifies the bulk using a static spectral prior. We provide two variants: the complete SAMuon follows the measured profile using a low-rank randomised SVD and the simplified SAMuon-lite uses a two-level approximation via rank-one power iteration. Neither method adds persistent optimiser state or notable extra FLOPs beyond Muon at scale, and the idealised exact-whitening versions of both retain Muon's asymptotic convergence rate under standard assumptions. Across "modded-nanogpt" models from 124M to 1B parameters, both variants outperform tuned AdamW and Muon (Scion implementation) baselines in all evaluated model-scale and batch-size configurations. SAMuon requires 13.3% to 24.0% fewer training tokens to reach the same validation loss as Muon, while SAMuon-lite retains most of this gain with near-zero wall-clock overhead.

Fairness audits of medical imaging models commonly report the largest performance difference between demographic subgroups and treat any positive value as evidence of bias. Yet a perfectly fair model also produces a positive difference, which grows as subgroups shrink. Some mitigation methods remove demographic information from models because they assume that it produces the difference. Here we introduce Fair-model Reference And Mechanism Evaluation (FRAME). Its first step compares each reported difference with the difference expected from a perfectly fair model at the same subgroup counts. Its second step tests whether candidate causes of any excess over this fair-model reference change the difference when they are injected into model features. We evaluated 36 encoders on nine datasets in three modalities and audited 89 published differences across six modalities. For 10 frozen encoders and 13 chest radiograph findings, the reference is a median 41% of the race difference and 22% of the age difference. It is exceeded by 40 of 53 published differences in sensitivity or false positive rate and by one of 36 in the area under the receiver operating characteristic curve (AUROC). Adding race information to the features of two encoders does not change the race difference significantly. At matched disease performance, mitigation reduces the race difference by less than its spread across three pretraining seeds (medians 0.005 and 0.012) and the age difference by more (0.008 and 0.006). Image-text pretraining raises the worst-group AUROC for race by a median 0.049 over self-supervised pretraining. Reporting the fair-model reference beside every new and published subgroup difference could direct mitigation to the differences above it.

International adoptees retain phonological traces of a birth language they can no longer speak or comprehend, a persistence typically attributed to a biologically-timed critical period. We asked whether it could instead reflect the ordinary dynamics of learning, using automatic speech recognition models that simulate the international adoptee experience without maturational confounds. Models were trained on one language and then abruptly switched to a second. We found that traces of the first language persisted throughout second-language training, but mainly in the lowest, pre-phonemic layers. These traces were functional, as models with early exposure re-learned their lost first language 14% faster than naive models; this advantage held even against models adopted early from a related language and disappeared when the earliest layers were substituted from a non-adopted model. We argue that these critical-period effects reflect entrenchment of foundational representations rather than a maturational loss of plasticity, and that experience plays a central role in critical periods in language acquisition.

Understanding instruction-following capabilities in scientific domains is essential for effectively leveraging Multimodal Large Language Models (MLLMs) to advance the development of scientific fields. In this work, we introduce SciMIF, a novel benchmark designed to evaluate the capability of MLLMs in following complex scientific instructions. Specifically, based on an extensive analysis of 22 distinct tasks across 5 representative scientific disciplines, we propose a comprehensive taxonomy comprising 10 constraint groups that captures both general functional requirements and discipline-specific characteristics. Guided by this taxonomy, we develop a high-fidelity instruction injection pipeline to systematically augment existing scientific datasets. We conduct comprehensive experiments on multiple state-of-the-art closed-source and open-source MLLMs. Our findings reveal significant performance disparities across different scientific disciplines, with chemistry posing greater challenges for current MLLMs. Furthermore, we observe that increasing the model scale does not yield corresponding improvements in constraint adherence, and current models still struggle severely with fine-grained constraints and instructions requiring the deep application of disciplinary knowledge. SciMIF fills the current void in evaluating multimodal instruction adherence within scientific domains, laying a crucial foundation for future enhancements of MLLMs in rigorous scientific applications. Data and code will be released at https://github.com/shenye7436/SciMIF .

Sparse autoencoders (SAEs) are widely used to interpret the internal representations of large language models (LLMs), yet their reliability under post-hoc model compression remains poorly understood. We present a systematic study of how pruning affects SAE behavior and theoretically show that, for a fixed SAE, its impact is governed by perturbation energy, a covariance-weighted norm. This perspective exposes a key limitation of magnitude pruning: by ignoring activation geometry, it distorts the learned representation space and degrades SAE functionality. Activation-aware methods such as Wanda and SparseGPT, in contrast, implicitly control perturbation energy and are therefore substantially more robust at preserving SAE behavior. We further reveal a consistent structural vulnerability across all pruning methods: middle layers are significantly more sensitive to pruning than early or late layers. Guided by this insight, we propose a layer-wise sparsity allocation strategy, achieving lower perplexity under the same average pruning sparsity. Experiments across four model architectures validate our theoretical findings. Code is publicly available at https://github.com/osu-srml/sae-robustness-under-pruning/tree/main.

On-policy distillation trains a language model on its own generations while a teacher scores them token by token. It combines the dense supervision of imitation learning with the on-policy sampling of reinforcement learning. But it requires a second, larger model to act as teacher. On-Policy Self-Distillation (OPSD) removes that cost. The teacher is the model itself, conditioned on privileged information the student will not have at test time, such as a reference solution, a plan, or environment feedback. The teacher is no stronger than the student, only better informed. Early results were promising, with accuracy comparable to reinforcement learning at a fraction of the generated tokens. But the same asymmetry that produces the signal also biases it. One failure mode now dominates the field: collapse, the progressive narrowing of the set of reasoning paths the model can produce. Collapse is not specific to OPSD, though privileged information aggravates it. This review treats collapse as a symptom governed by three levers: (i) where the signal is applied, that is, how tokens are weighted; (ii) what the teacher is shown, that is, the nature of the privileged information; and (iii) when the signal changes, that is, the teacher's dynamics and the decay of guidance. We restrict our scope to mathematical reasoning, where the method originated and where its failure modes are best documented. We report no new experiments. The contribution is structural: a shared vocabulary for phenomena named differently across papers, and a clear line between what is settled and what is still disputed.

Automated fact-checking (AFC) systems retrieve evidence and predict claim veracity, yet evaluations omit simple baselines, systems are developed for a single benchmark and cannot be trusted to generalise across domains. No prior work cross-evaluates the full two-stage retrieve-then-verify pipeline across diverse datasets, complementing retrieval-only studies (Thakur et al., 2021) and single-stage benchmarking studies (Calamai et al., 2025). We benchmark nine models, ranging from random and sparse baselines to fine-tuned transformers, zero-shot LLMs, and the two highest-ranked systems from the AVeriTeC 2025 shared task, across four datasets spanning scientific, open-web, and climate domains. Three findings stand out: (1) on ClimateCheck claim-only and fine-tuned models outperform zero-shot LLM and top-performing AVeriTeC 2025 systems, highlighting that noisy evidence can degrade veracity prediction; (2) system rankings are strongly domain- and metric-dependent: the best model on SciFact (macro-F1 0.70) drops to 0.31 on ClimateCheck, while the AVeriTeC 2025 winner and runner-up swap rankings based on evaluation metrics and datasets; (3) replacing retrieved evidence with gold annotations improves veracity accuracy by 14-22 points across models, confirming retrieval remains primary bottleneck. We release code, pre-processed datasets, and all results to support reproducible AFC research.

Three-dimensional probabilistic inversion of time-domain airborne electromagnetic (AEM) data is limited by the cost of the forward solve. Even though one simulation takes only tens of seconds, a Bayesian inversion of a survey of millions of soundings requires of order $10^{10}$ forward evaluations. To address this, we develop a continually learning neural-operator surrogate of the three-dimensional AEM forward operator that replaces the solver inside the Bayesian inversion. We start from the point of view that regardless of what geological prior is specified, Maxwell's laws remain invariant. Secondly, we avoid the limitation of learning on a single prior by continual learning on consecutive priors, which means our surrogate becomes richer as it is applied in future case studies, either by the authors, or by the scientific community. We use a validity check built on ensemble disagreement to divert cases with measurements outside the training range to the solver. Driven by the surrogate, the identical Markov chain Monte Carlo sampler reproduces the full-solver posterior, and its credible intervals cover the truth within 2.6 percentage points. Applied to the 2013 Capricorn TEMPEST survey in Western Australia, the surrogate inverts over two million soundings in seconds, a computation infeasible for the solver. Testing the geological prior against the entire survey costs minutes. The framework delivers uncertainty-quantified conductivity imaging at survey scale, which we believe is essential to perform near real-time mineral-systems targeting with geophysics.

Control variables are widely used in statistical modelling to account for omitted variable bias of known confounders. However, they have largely been underexplored in deep learning. This is surprising, given that deep learning models encode image-inferable covariates, such as demographic variables, into their predictions when these covariates are correlated with the outcome—a form of omitted variable bias referred to as 'shortcut learning'. While many existing confound-control or fairness methods try to restrict the correlation of such covariates with model predictions, we show that this fails to correct for omitted variable bias. We therefore propose a control variable approach for deep learning models, based on generalised additive modelling of the effects of model inputs and covariates. As flexible additive models can suffer from concurvity, we introduce an estimation procedure that refits the final layer of a pre-trained network to include covariate effects, using cross-fitting with ridge penalisation. We show how these effects can be orthogonalised with respect to covariates to exclude their mediated effects and that model predictions can be marginalised over the covariate distribution to control for their effect. This yields unbiased, interpretable predictions and offers flexibility to model the desired effects depending on the scientific or fairness objective. We verify our approach using simulated images, and demonstrate consistent estimation of true effects. Existing methods either require more data or fail to recover the true effects. We apply our method to real neuroimaging data with experimentally induced confounding, where it recovers prediction performance to near the level of a model trained on unconfounded data. Code is available at https://github.com/mpff/cocodeel.

Machine Learning (ML) is increasingly used in virtual prototypes of embedded systems to model behaviors that are difficult to capture analytically. However, integrating ML models into virtual platform simulation is still typically done through ad hoc solutions, which limits reuse, comparability, and reproducibility. This paper presents \textbf{SAMpLE}, an open-source SystemC-AMS-based framework that integrates ML models as first-class Timed Dataflow (TDF) components through a standardized plug-and-play interface. SAMpLE provides two execution backends: a native C++ backend for online training of lightweight models, and an offline backend for executing externally developed models without requiring re-implementation in C++ or manual integration steps. The framework uses ONNX as a standard model exchange format to enable integration of externally trained ML models into SystemC-AMS simulations, and allows the evaluation of different ML-based solutions within the same testbench, dataset, and simulation workflow. The modular design and unified and reproducible environment will allow future extensions of SAMpLE to new models, without modifying the SystemC-AMS structure.

Driver behavior is heterogeneous, context-dependent, and changes over time, and these properties shape the traffic phenomena we observe. Most models, however, fix in advance which behavioral variables interact and how. Behavior outside that form is absorbed as noise, while models flexible enough to capture it tend to lose interpretability. We introduce a quantum-inspired representation of driver behavior that combines properties usually treated separately or in part: it is continuous, probabilistic, context-dependent, history-dependent, and represents interactions among behavioral variables as learned from data. Each driver is encoded as an evolving density matrix, providing a unified representation of behavioral uncertainty, temporal evolution, and context-dependent behavioral variation. Trained without supervision on the I-24 MOTION dataset, the framework recovers three interpretable driving profiles representing three regimes: free flow, transition, and congestion. The profiles capture the behavioral range of the data and the smooth transitions drivers make between regimes as conditions change. The same representation also reproduces known macroscopic phenomena, aligning with the fundamental diagram and reproducing hysteresis loops. We also show how the representation supports practical use: it supplies context-dependent parameters to classical car-following models, and gives an autonomous vehicle a live behavioral read of the surrounding drivers with a short-horizon forecast of their motion. The framework points toward models of traffic that are interpretable and trustworthy by construction. We release an open-source toolkit on GitHub (https://github.com/mselayan/quantum-driver-representation) spanning data processing, training, inference, and analysis.

Relational Deep Learning (RDL) is an effective approach to machine learning over multi-table relational databases. In RDL, a database is modeled as a graph in which each row is a node and each foreign-key relation is an edge, and a graph neural network (GNN) is trained on this graph. Training a GNN requires sampling a subgraph around every seed node in the training set, and the cost of training is largely determined by the size of these subgraphs. This paper aims to reduce subgraph size by leveraging the join and aggregation capabilities of relational database systems. We observe that sampled subgraphs are obtained by following metapaths composed of foreign-key links, and that many of these metapaths can be pruned without loss of accuracy. We present MetaSieve, a metapath selection layer that determines which metapaths to retain and which to prune. For each candidate metapath extension, MetaSieve computes statistics via SQL join and aggregation queries and evaluates the extension based on a novel scoring function that prefers lightweight but informative candidates. Metapaths whose scores fall below a threshold are deemed uninformative and pruned. Metapath selection in MetaSieve is lightweight since it relies only on database statistics and task labels, and it is independent of GNN parameters, so it integrates with diverse GNN architectures for classification and regression. Our evaluation on the RelBench benchmark with multiple GNN backbones shows that MetaSieve consistently reduces per-epoch training time by large margins while maintaining and often improving accuracy.

Forecasting a stochastic dynamical system rarely means a single number: one wants several observables—future state, threshold event, regime label—each with its own likelihood. Standard multi-task recipes balance per-task losses, tuned or learned. We instead compose the observables' likelihoods in per-task free-routed last-layer beliefs on a shared backbone; this absorbs unit-dependent loss scaling into likelihood parameters learned in the same gradient pass. Stochastic dynamics supply what static benchmarks cannot: computable ground truth for the predictive variance. Results land where theory puts them: on the well-specified, homoscedastic Ornstein–Uhlenbeck process the learned predictive law recovers the analytic kernel and correctly specified baselines tie. On heteroscedastic systems (stochastic Lorenz-63, real air-quality data) the belief's input-dependent variance separates: best single-run NLL on the state and regime tasks, calibration matched only by arms whose NLL it beats, at a fraction of the tuned grids' cost. On the real series the state margin holds across five rolling origins.

Explaining deep learning models operating on time series data is crucial in various applications that require transparent and interpretable insights into model behavior. {Existing explanation methods generally fall into two categories: attribution-based explanations, which identify the temporal regions most responsible for a prediction, and counterfactual explanations, which reveal how an input should be modified to alter the model's decision.} {Despite valuable insights, these two fields are largely studied independently. This disconnect leaves attribution methods lacking causal validation, while counterfactual methods suffer from severe instability, producing adversarial-like noise instead of meaningful explanations.} In this work, we revisit time-series explainability from an information-theoretic perspective and show that existing explainers are vulnerable to trivial solutions and distributional shifts. To address these limitations, we propose a unified objective function for explainable time series learning that bridges attribution and counterfactual reasoning within a single framework. Building upon the Information Bottleneck principle, our formulation explicitly prevents trivial explanations and out-of-distribution counterfactuals. {Based on this objective function, we introduce {\modelname}, a novel explanation framework that learns a parametric transformation network to construct explanation-embedded instances, where preserved information yields attribution explanations and controlled information removal produces stable counterfactual explanations.} We evaluate {\modelname} on synthetic and real-world benchmarks against state-of-the-art baselines. Extensive quantitative and qualitative results show that {\modelname} consistently outperforms competing methods, yielding faithful attributions and stable counterfactual explanations.

Foundation models have transformed molecular property prediction, yet it remains unclear whether a molecular foundation model, fine-tuned on a single canonical olfactory prediction task, can learn representations that transfer across diverse machine olfaction problems. We investigate this question by fine-tuning Uni-Mol2 on the GS-LF benchmark for multi-label odor descriptor prediction and evaluating the resulting model, without additional deep-learning training, on four complementary downstream settings: cross-dataset odor descriptor prediction, odorous-versus-odorless classification, enantiomer evaluation, and odor mixture discriminability. The fine-tuned model matches or exceeds the performance of the state-of-the-art olfaction-specific baseline on the primary GS-LF benchmark and consistently transfers across these downstream evaluations. The enantiomer analysis further shows that three-dimensional molecular representations distinguish mirror-image molecules in a way that two-dimensional graph models fundamentally cannot, although accurately predicting the perceptual consequences of stereochemistry remains an open challenge. Together, these results support a train-once, transfer-across-tasks paradigm for machine olfaction and suggest that chemically pretrained molecular representations provide a strong foundation for transferable olfactory prediction.

Detailed multicellular growth simulations based on subcellular element models (SEMs) can capture complex tissue development, but their element-level interactions impose substantial computational cost. This work presents a scalable multi-GPU framework for 3D multicellular growth simulation that combines GPU acceleration, spatial binning, domain decomposition, and workload-aware partitioning. Cell movement, growth, and division continuously reshape the spatial workload distribution, causing initially balanced partitions to become inefficient over time. To address this, we introduce an RNN-based load-balancing controller that observes recent per-rank execution times and partition states and learns residual corrections to a reactive boundary-adjustment rule. The controller is trained offline in a differentiable surrogate of the load-balancing loop with randomized workload dynamics, requiring no measured execution traces for training. We evaluate the framework in terms of single-GPU acceleration, multi-GPU computation scaling, controller-level load-balancing behavior, and end-to-end simulation performance, with comparisons against static partitioning, reactive load balancing, and conventional time-series prediction baselines. A representative embryonic epidermal development use case further demonstrates the type of spatially and temporally evolving workload targeted by the framework. In our evaluation, GPU acceleration with spatial binning accelerates the interaction computation by roughly three orders of magnitude over a serial CPU baseline. RNN-guided load balancing reduces the mean global imbalance from 11.3% under static partitioning to 3.5%, lowers end-to-end runtime by 9.0% relative to static partitioning, and reduces slice migration by 7.7x compared with the reactive baseline, showing that history-aware control can improve workload balance while avoiding unnecessary repartitioning.

An intuitive method for dimensionality reduction is proposed, which is highly effective for finding interesting projections of multivariate data. Following similar intuitive motivation to a number of existing techniques, the proposed method is based on enhancing the nearest neighbour relationships in the data. The proposed projection arises from the spectral decomposition of a matrix designed to encode the local covariance structure in the data, where the local covariance at a point is captured by pairs of its nearest neighbours. We show that under standard regularity conditions this matrix is a consistent estimator of the so-called “Density Information Matrix” (DIM); a non-parametric analogue of the Fisher Information Matrix. Spectral decompositions of DIMs have been shown to be connected with the important problems of Independent Components Analysis and, in the supervised context, Sufficient Dimension Reduction. However, existing estimators of the DIM are computationally expensive to compute and only target the DIM of a surrogate density, which is proportional to the square of the true underlying density. In addition, we go on to explore the practical utility of our method in aiding the downstream tasks of cluster analysis and outlier detection.

In federated learning, it is well known that heterogeneous data can (in theory) slow down optimization, and much effort has been directed at designing optimization algorithms that are unaffected by data heterogeneity, such as the SCAFFOLD algorithm. Yet, despite strong theoretical guarantees, SCAFFOLD does not usually outperform the much simpler FedAvg in practice. In this work, we propose that this gap is due to the presence of Edge of Stability (EoS) and progressive sharpening in federated optimization, supported by extensive empirical probing. First, we find that EoS-like dynamics occur with both FedAvg and SCAFFOLD under a variety of architectures and hyperparameters. We observe that the equilibrium value of the sharpness is inversely proportional to the learning rate (as in GD), and interestingly, the degree of data heterogeneity (but not the number of local steps) also affects the equilibrium value. Most importantly, we observe that SCAFFOLD's ability to estimate the gradient of the global objective is severely degraded at the EoS, as measured by the correlation between sharpness and SCAFFOLD's error in estimating the global gradient along the optimization trajectory. This suggests a mechanism for SCAFFOLD's lackluster performance in deep learning: with high sharpness at the EoS, SCAFFOLD cannot reliably estimate the global gradient.

Forecasting in large-scale e-commerce marketplaces is increasingly required to support planning: merchants need to evaluate sales outcomes under future action sequences such as budget schedules, rather than passively predicting what happens next. However, most existing time series forecasting (TSF) approaches remain inherently passive. Even when incorporating operational decisions as auxiliary covariates, they typically optimize for correlation-based extrapolation under historical policies. This design suffers from autoregressive inertia and conflates endogenous market evolution with decision-induced transitions, leading to policy-insensitive rollouts and unreliable counterfactual analysis. To bridge this gap, we propose CEDAR (Controlled and Event-Driven Demand forecasting via Action-aware Residual decomposition), a two-stage framework for robust decision-conditioned simulation. In Stage I, an Action-Interleaved Transformer learns controllable action-conditioned state transitions for rollout under planned interventions. In Stage II, a Residual Correction Module leverages external event signals and LLM-assisted text representations to align noisy event descriptions with product context and correct event-driven deviations. Our study is enabled by a large-scale real-world dataset from Alibaba 1688, comprising approximately 32 million product trajectories with paired state-action sequences and aligned event signals. Extensive offline experiments and online controlled experiments in production demonstrate that CEDAR consistently improves simulation accuracy over strong TSF baselines and delivers practical gains for real-world budget planning.

High-resolution precipitation fields are essential for hydrological impact assessment, yet global climate model outputs are too coarse and biased for direct use. AI-based statistical downscaling with diffusion models offers a promising approach, but the mechanism by which large-scale atmospheric predictors condition generation remains largely unexplored. We investigate three conditioning strategies for a denoising diffusion probabilistic model applied to daily precipitation downscaling: channel concatenation of upsampled coarse predictors, cross-attention conditioning with a learned convolutional encoder, and cross-attention conditioning with the frozen encoder of the pretrained Prithvi WxC weather foundation model. All strategies are evaluated against an unconditioned baseline under identical conditions using probabilistic, distributional, spectral, and extreme-event metrics for the Colorado River Basin. Concatenation conditioning achieves the lowest point-wise CRPS and MSE, but tends to produce over-smoothed fields that suppress high-intensity events. In contrast, cross-attention conditioning provides substantially better distributional realism and modest improvements in spectral fidelity. Improvements are greatest for extremes: the Prithvi-WxC conditioned model retains over half of >100mm/day events, although estimates are uncertain due to limited samples. When trained on the full dataset, the learned convolutional model performs similarly to the foundation model-conditioned approach while requiring lower computational resources. However, the Prithvi-WxC-conditioned model achieves comparable performance with only five years of training data. These results indicate that cross-attention conditioning offers advantages over simple concatenation for probabilistic precipitation downscaling, and that pre-trained foundation model representations may offer benefits in data-limited settings.

Key Point Analysis (KPA) aims to identify a concise set of key points that summarize a collection of arguments together with their prevalence. We argue that KPA is fundamentally a structured prediction problem that requires recovering semantic groupings, generating representative key points, ensuring coverage, and estimating prevalence. Under this formulation, we show that existing KPA benchmarks suffer from limitations in grouping quality, redundancy, coverage, and argument-key point mappings, causing ceiling violation and selection failure in reference-based evaluation. To support future research on true KPA, we introduce a structure-aware, distribution-sensitive benchmark built via a human-in-the-loop re-annotation. Human and LLM evaluations consistently show that the resulting structures yield more coherent groupings, higher-quality key points, better coverage, and more reliable prevalence estimates than existing annotations. We further release several annotation resources to support research on KPA evaluation, argument-key point matching, explainable KPA, and LLM-as-a-judge methodologies, and outline a research agenda for true KPA.

Cough acoustics are promising for non-invasive tuberculosis (TB) screening, yet whether machine learning (ML) models capture disease-related acoustics or artifacts of data collection remains unresolved. We evaluated the cross-dataset generalizability of classical ML and deep learning (DL) cough-based TB classifiers across three independent datasets. Despite moderate within-dataset performance (ROC-AUC up to $0.755 \pm 0.056$), both pipelines fail to generalize, with external performance frequently below 0.6, indicating a possible limitation of the data. We further observed audio representations are organized by recording device and dataset rather than TB status, predicted TB probability tracks country-level prevalence in CODA, and device mismatch degrades transfer while device-diverse training improves it. Additionally, a clinical-variable baseline generalizes more consistently (ROC-AUC $0.655 - 0.711$), indicating acquisition-specific variability is a stronger driver of poor generalizability than population shift. High within-dataset performance is not enough. External validation is essential before cough-based TB models are clinically ready.

Drug synergy prediction estimates whether two drugs produce a stronger joint effect than expected from their individual activities. For drug combination discovery, a single synergy score is often not enough: researchers also need to know which molecular regions jointly drive the prediction. We study motif-pair synergy explanation, which identifies pairs of chemically coherent regions, one from each drug, that jointly contribute to predicted synergy. Existing interpretable synergy models expose atom- or substructure-level signals, but their explanations are built into the predictor architecture, and none validates cross-drug region scores under repeated perturbations or feeds that evidence back to refine the explanation. A reliable motif-pair explanation should instead be chemically coherent, perturbation-stable, and aligned with predictor behavior. We introduce VINCENT (Validated Interaction Network for Cross-drug Explanation of Therapeutics), a post-training framework for a fixed interaction-aware synergy predictor. VINCENT extracts atom-pair evidence from attention and gradient signals, groups atoms into chemically coherent motifs, and validates candidate motif pairs through repeated local perturbations. The validated evidence is fed back to refine motif assignments, yielding explanations that satisfy these three criteria. On a 25-pair literature-annotated subset, VINCENT achieves a mean motif recall of 0.826 (95% CI: 0.78-0.87), compared with 0.49-0.66 for baselines. Across all 71 test pairs, its validated interaction scores yield a TP/TN separation of 3.36. These results show that closed-loop perturbation validation recovers literature-supported molecular regions more accurately than existing alternatives while producing cross-drug interaction scores that better reflect predictor behavior.

Large language models access knowledge inconsistently across languages, but to what extent do they differ in their skill sets when interacting with different languages? This work quantifies cross-lingual skill inconsistency orthogonally from knowledge and general benchmark performance. We do this via multilingual self-play: two instances of the same model compete in a text-based game, each interacting through a different language interface. Since the model, opponent, rules, state space, and available actions remain fixed, this setting isolates the effect of language on the model's realized behavior. We build a multilingual extension to TextArena and evaluate three open-weight models across eight languages and six games covering spatial reasoning, imperfect information, resource allocation, and repeated interaction. We find that the same model can exhibit markedly different playing strength across languages, with systematic variation in win–loss margins, invalid actions, and strategic tendencies. Detailed analyses reveal language-specific failures in spatial reasoning, card-conditioned decisions, and optimal move selection. In some settings, changing only the intermediate reasoning language recovers much of the lost performance, suggesting that language can affect different stages of the decision process. These results show that skill discrepancies are a measurable major roadblock in the development of truly multilingual models. Better understanding these discrepancies can help us design models that perform more equitably across languages.