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Monday 24 August

Machine Learning

Multi-Modal Anomaly Detection: A Survey

Multi-Modal Anomaly Detection (MMAD) detects rare abnormal events from heterogeneous data sources and is increasingly used in safety- and reliability-critical applications such as industrial inspection and cybersecurity. Yet the literature is fragmented across domains and modality combinations, and existing surveys usually group methods by architecture rather than by how abnormality is defined and separated in multi-modal settings. We survey MMAD from an assumption-driven perspective. We formalize the problem, identify five intrinsic characteristics underlying its core challenges, and organize prior work into two complementary paradigms. The first, normality-assumption methods, models regularity via representation learning, cross-modal alignment, and knowledge enhancement. The second, anomaly-assumption methods, sharpens decision boundaries through coarse-grained, structural, and semantic anomaly injection. We also investigate how foundation models are reshaping MMAD through scalable pretraining, flexible cross-modal transfer, and emerging reasoning capabilities. Finally, we compile representative benchmarks and evaluation protocols across domains and highlight open problems and future directions for robust, adaptive, and interpretable MMAD systems.
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All authors Xudong Mou, Zexin Wu, Chuan Luo, Shiru Chen, Xudong Liu, Chunming Hu, Renyu Yang

Machine Learning

Conditional GraphGANFed: Optimizing Graph-Structured Molecule Generation in Federated Generative Adversarial Networks

Generative adversarial networks (GANs) have garnered considerable attention in molecular discovery for their ability to generate novel and high-quality molecules. To efficiently train a GAN model while preserving data privacy, GraphGANFed has been proposed to incorporate federated learning and graph convolutional networks into GAN. Yet, GraphGANFed cannot produce synthetic molecules that only optimize a user-defined metric(s) to facilitate the new drug discovery process. To address this issue, we introduce a novel extension to GraphGANFed, namely conditional GraphGANFed (cGraphGANFed), by incorporating the critic network to assess generated molecules using user-defined metric(s). The evaluation results from both the critic network and discriminator are integrated into the loss function of the generator, guiding it to generate novel molecules that maintain similar chemical properties to real ones while optimizing user-defined metrics. Extensive simulations are conducted in two scenarios. First, cGraphGANFed endeavors to optimize all seven commonly used metrics, and the results show that cGraphGANFed significantly outperforms GraphGANFed in Validity and LogP, with a slight advantage in QED, across different settings. Second, cGraphGANFed focuses solely on optimizing QED, and the results show that the synthetic molecules produced by cGraphGANFed can achieve more than 10% improvement in QED than GraphGANFed. Also, the results demonstrate cGraphGANFed has enhanced resilience against mode collapses and performance reduction caused by non-IID data.
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Machine Learning

GATNextHop: A GAT for Shortest Path Routing with Cross-Topology Generalization

Common shortest-path algorithms, such as Dijkstra's (SPF), that OSPF uses, provide exact routing solutions but must be recomputed for each network topology, limiting scalability in dynamic or large-scale networks. This paper proposes the GATNextHop model to determine whether a Graph Neural Network, namely the Graph Attention Network, can approximate shortest paths and generalize across topologies. By training on synthetic graphs and evaluating on real-world Internet Service Provider networks from the Internet Topology Zoo, we aim to benchmark our model's ability to learn routing heuristics that transfer across network structures. Performance will be evaluated in terms of accuracy, inference speed, and generalization, comparing the GNN against Dijkstra's algorithm to quantify trade-offs between learned and classical routing approaches.
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Machine Learning

The Loss Floor of Denoising Score Matching: Fisher Geometry from Schrödinger Bridges

Denoising score matching trains diffusion models by regressing onto a conditional score, although generation ultimately requires the marginal score. The two objectives share the same population minimizer, but the conditional target remains random at fixed noisy state and introduces an irreducible excess in the training loss. We isolate this excess and show that, for a general corruption kernel under mild regularity assumptions, it is exactly the trace of the Fisher–Rao metric of the conditional endpoint family, integrated along the diffusion trajectory. This gives an exact conditional-variance decomposition of the denoising objective and identifies the information geometry observed in diffusion latent spaces as an intrinsic component of the training loss. We derive the result from a Schr"odinger bridge variational principle, in which the ideal objective arises as excess path-space relative entropy. For corruption diffusions, the Fisher term is proportional to the rate at which the noisy state loses mutual information about the clean data, separating the loss floor into an information flow determined by the data and a weight determined by the corruption schedule and objective. In the Gaussian case, this yields a closed form for the floor, recovers reparametrization invariance of the continuous-time objective, and relates its high-SNR divergence to the information dimension of the data. Finally, we show that raw losses obtained with different noise ranges or weightings need not rank models consistently because they contain different additive floors, and contrast the second-order geometry seen by training with the third-order conditional statistics entering numerical sampling error.
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Machine Learning · Cross-listed from cs.AI

PROOF-Gen: From Optimized Data to Better Distillation

Supervised fine-tuning on teacher-generated trajectories is the standard first stage for distilling tool-calling capabilities into deployable models. Post-training pipelines that drive shipped tool-calling agents re-run this stage on a daily or weekly cadence, paying the frontier-teacher cost each cycle, yet the mechanism is generate-and-filter (keep the teacher's passing trajectories, discard the rest) and each cycle leaves behind the same hard scenarios because failures supply no signal. On {\tau}2-bench, 57% of teacher trials fail, two-thirds of them near-misses (most tool calls correct, undone by one decisive error). We introduce PROOF-Gen (Per-scenario Reflective Optimization to Overcome FailedGeneration), which recovers golden trajectories from these failures via per-scenario prompt optimization. For each failed task, a reflector analyzes the execution trace and evaluation feedback, then writes corrective guidance that steers the teacher to a passing trajectory. The guidance is stripped before training, so the student learns from clean demonstrations with no task-specific scaffold. On {\tau}2-bench, per-scenario optimization recovers 93% of failed scenarios. Fine-tuned on the combined data, Qwen3-4B-Instruct-2507 improves from Pass^1=0.132 to 0.529 and Gemma 4 E4B-it gains +7.2pp on BFCL v4 multi-turn. In a deployed pipeline, the method lifts trajectory quality by +6.3pp goal completion and transfers to a deployed on-device model (+1.5pp goal completion; +1.7 to +5.0pp across response-quality metrics), with positive transfer in every locale (non-English average +1.48pp).
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Machine Learning

Partial Optimal Transport on the Circle for All Transported Masses in O(N log N)

Partial optimal transport compares two measures while leaving part of the mass unmatched, which is what makes it robust to outliers, occlusion, and clutter. The quantity of interest is usually the whole profile - the optimal cost at every transported cardinality - because the right amount to transport is rarely known in advance, and on the real line the PAWL algorithm returns that profile in $O(N\log N)$. Much data is periodic rather than linear: angles, phases, orientations, time of day, hue, and every direction obtained by projecting onto a great circle. On the circle the same problem acquires a global circulation, or equivalently an optimized cut, which the naive exact method handles by running the line algorithm once per support gap, at $O(N^{2}\log N)$. We show that this factor $N$ is unnecessary. The line structure survives in cut-free form, and a free-gap invariant supplies, at every step, a cut at which all previous local updates remain valid line updates. This yields PAWC: an exact $O(N\log N)$ time, $O(N)$ memory algorithm returning all $K+1$ costs, nested active sets and plans in one run, together with a single gap that is simultaneously optimal for every cardinality. Slicing over great circles extends it to $\mathbb{S}^{d-1}$. Empirically the whole profile costs $0.56$ms at $N=4096$ against $1.5$s for a single transported fraction from a general solver; on occluded, cluttered mpeg-7 shapes, holding the descriptor fixed and varying only the cost, it retains $66\%$ of the clean-data retrieval score against $16\%$ for balanced circular OT, and on $\mathbb{S}^{2}$ it halves the fitting error of spherical sliced Wasserstein against contaminated targets, synthetic and real. Code is available at https://github.com/mint-vu/Partial_Wasserstein_on_Circles.
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Machine Learning · Cross-listed from cs.AI

Provenance Guided Incremental Learning Under Evolving Concept Definitions

Learning systems deployed over long periods must adapt not only to statistical changes in incoming data, but also to revisions of the definitions that generate their prediction targets. Conventional concept-drift methods typically infer such changes from observations or prediction errors, even when the underlying policy, rule, or query has been explicitly modified. This paper studies rule-induced concept shift, where the target-defining concept is revised directly, causing previously stored instances to acquire different semantic labels without requiring any change in their observed data. We introduce a provenance-guided incremental learning framework that compiles consecutive concept definitions into a structured rule delta, traces the changed components through historical provenance, certifies records whose previous labels remain valid, and restricts reevaluation to a localized candidate region. Executable revisions are relabeled automatically, ambiguous cases are handled through selective supervision, and the resulting changes are used for incremental predictor repair. A versioned concept memory further supports recurring definitions. We also introduce RuleShift-Bench, spanning financial, demographic, cybersecurity, and graph-structured data with threshold, predicate, logical, relational, recurring, and mixed concept revisions. Across the benchmark, provenance-guided repair attains 92.3% accuracy and 90.2% Macro-F1 while reprocessing 14.7% of the historical collection and retaining 94.6% of affected records. Its average update latency is 179s compared with 993s for complete relabeling and retraining. The results demonstrate that an explicit concept revision can be exploited as a data-maintenance signal, allowing learning systems to update the supervision and predictive state that depend on the change while preserving knowledge that remains valid.
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Machine Learning · Cross-listed from math.OC

Dimensionless Controls of Plasticity Under Alternating Tasks: From Evolutionary Biology to Continual Learning

Plasticity under changing environments is central to both evolutionary biology and continual learning. Motivated by recent work on genotype–phenotype maps, we study a minimal deep-learning analogue where a network is trained alternately on two Boolean label sets, and ask which biological controls of plasticity survive the translation to gradient descent. Reinterpreting four proposed biological factors as quantities of training dynamics, we find the system reduces to two dimensionless controls: the task disagreement $r$, the fraction of disagreeing labels, and the reach $\eta T$, the product of learning rate and switching period. We derive two bounds on plasticity: $r$ alone fixes an extremal geometric floor on the utopia distance, while $r$ and $\eta T$ jointly bound forgetting. Across 9,720 trajectories, an ANOVA confirms that $r$, $\eta$, and $T$ dominate, while the effect of neutral-set size (emphasized in the biological setting) is negligible. The optimal reach itself follows an approximate inverse power law $\eta T^{*}\propto r^{-1.18}$, yielding a heuristic that sets the optimal reach $\eta T^*$ from the task disagreement alone. The analogy that survives is therefore dynamical rather than geometric, and our setting enables a view of plasticity through the lens of other driven systems in physics and engineering.
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Machine Learning · Cross-listed from eess.IV

Spatiotemporal Distillation via Recurrent Bottlenecks for Aortic Tracking

Cardiac cine-MRI serves as a direct visual indicator of cardiovascular hemodynamics by capturing the continuous wall motion of the aorta. Quantifying these dynamic structural changes across the cardiac cycle is essential for measuring aortic distensibility, a primary marker of arterial stiffness. However, standard 2D segmentation networks focus on each frame independently. Consequently, when rapid systolic flow temporarily obscures the aorta's boundaries, this lack of continuous context results in frame-to-frame tracking dropouts and boundary inconsistencies. Spatiotemporal ($2\text{D}+t$) networks can enforce temporal consistency across the sequence but suffer from a scarcity of expert annotations. To address this, we present a semi-supervised spatiotemporal ($2\text{D}$ to $2\text{D}+t$) knowledge distillation framework exploiting the cardiac cycle. The framework distills a spatial teacher's expertise into a spatiotemporal student network by executing a dynamic latent interception, pairing a recurrent spatiotemporal bottleneck with a residual spatial bypass. Our model selection strategy applies a baseline validation threshold ($\text{DSC} \ge 0.50$) prior to selecting the epoch that maximizes anatomical consistency. This strategy enables the spatiotemporal student model to achieve superior surface tracking accuracy ($\text{NSD@1mm} = 92.3\% \pm 0.2\%$) and high structural reliability ($\text{Frac}_{2\text{CC}} = 99.2\% \pm 0.6\%$), reducing population-wide structural anomalies by over 56% compared to a 2D nnU-Net baseline.
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Machine Learning

Every Layer Counts: An Exponential $L_2$ Depth Hierarchy for ReLU Networks

We prove a depth hierarchy for ReLU neural networks in which every additional ReLU layer can save exponentially many neurons. For all $k\geq2$, we construct a globally $[0,1]$-valued, $1$-Lipschitz function realized by a depth-$(k+1)$ network of width $\mathcal{O}(d^4)$, whereas any depth-$k$ network with unrestricted weights and width at most $\frac{2^d}{2d(k-1)}$ has squared $L_2$ error at least $1/24$ under an absolutely continuous distribution supported at exponential distance from the origin. To the best of our knowledge, this is the first exponential hierarchy across all adjacent fixed depths, and the first exponential separation for ReLU networks between two fixed depths whose shallower network has depth at least $3$. The lower bound also immediately yields the corresponding hierarchy for exact computation. Moreover, the case $k=2$ gives a compactly supported separation between depths $3$ and $2$ with unrestricted shallow-network weights, answering a question raised by Safran, Eldan, and Shamir (2019). The distribution used in our construction nevertheless has all its mass at exponential radius, placing the hierarchy outside the regularity regime in which such a separation would imply major threshold-circuit lower bounds. We also prove an exact separation for a more regular target, which is globally $[0,1]$-valued and $\mathcal{O}(\sqrt d)$-Lipschitz and maps the unit hypercube onto $[0,1]$. It is computed by a polynomial-width depth-$4$ network, whereas any depth-$3$ network agreeing with it on the unit hypercube requires exponentially many first-layer neurons, even with unrestricted weights.
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Machine Learning · Cross-listed from physics.chem-ph

Differential Learning for Robust Prediction of Thermal Stability with Application to Energetic Materials

Predicting thermal stability during handling and storage is essential for the design of safe and reliable energetic materials. However, experimental measurements vary significantly across laboratories due to differences in protocols and analysis methods, making it difficult to train reliable predictive models. We address this challenge through differential learning. Rather than predicting absolute decomposition temperatures, we instead train message passing neural networks to predict relative differences between pairs of molecules. This approach reduces sensitivity to systematic experimental errors and achieves >85% accuracy in ranking compounds by thermal stability, outperforming conventional regression methods on the same heterogeneous dataset. To understand what drives these predictions, we compare neural network models with interpretable alternatives built from descriptors derived from ab initio calculations and cheminformatics software. This analysis identifies bond dissociation enthalpy as a key determinant of thermal stability rankings, providing further insight into the complex chemistry of thermal decomposition. The differential learning framework generalizes across model architectures, from graph neural networks to classical descriptor-based approaches. Our results demonstrate that learning relative properties rather than absolute values offers a practical solution for modeling noisy experimental data, with direct applications in materials design where thermal stability predictions inform safety protocols.
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All authors Megan C. Davis, R. Seaton Ullberg, Jeremy N. Schroeder, Andrew H. Salij, Marc J. Cawkwell, Christopher J. Snyder, Ivana Matanovic, Wilton J. M. Kort-Kamp

Machine Learning · Cross-listed from cs.AI

Semantic Overlays: Mitigating Prompt Injection with Annotations Beyond Tokens and Steering Vectors

Everything a language model sees is tokens. The serving stack knows what each span is – user input, tool output, instructions – but the model must keep track of that itself, and can lose track or be confused: text can be written to read like anything. Prompt injection is a natural exploit of this phenomenon. By scrambling the model's understanding of span identity, an attacker can induce unwanted and dangerous actions. Adding a non-textual channel to the model's input – a way to communicate span identity beyond text – mitigates this class of attack. We thus introduce a general steering technique called Semantic Overlays: small learned adapters applied at chosen prefill positions to a frozen model's residual stream. Laying an overlay over a span creates an out-of-band annotation channel that cannot be replicated by tokens. Unlike steering vectors, Semantic Overlays are trained, adaptable, and selectively applied. An overlay can encode complex semantics that reshape how the model perceives the marked span: asked to copy a code snippet under an overlay asserting a different programming language, the model rewrites the snippet in the asserted language. Overlays compose, allow transparent reading of underlying content, and can carry complex payloads – including imperatives the model will follow. An overlay which marks a span as "non-executable" defends against the broad class of prompt injections that add instructions in untrusted context. We report strong results on five prompt injection benchmarks: SEP separation rises from 24.3% to 99.0% with utility unchanged (our scoring rule; we correct a defect in the published grader), TensorTrust attack success falls from 34.8% to 6.2%, AlpacaFarm from 99.0% to 0%, and the overlay beats every published PIArena defense that leaves the model able to answer – while marked spans stay readable, all at >95% character similarity to the original.
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Machine Learning

Revelation Control

Revelation Control is the problem of choosing priced interventions that reveal hidden state only insofar as the revealed distinctions can change a consequential decision, while accounting separately for any useful progress created by the intervention itself. We develop this theory for learning systems, where states equivalent under declared current information can respond differently to future training and favor different actions. The framework defines decision-sufficient revelation and revelation depth, separates pure information value from productive reuse, embeds static Bayes refinement into state-dependent continuation value, and gives an exact cost-adjusted factorization criterion: an additional shallow coordinate is decision-nonredundant only when states sharing a scalar summary lie on opposite sides of the priced Stop/Continue boundary. We also give a target-independent protocol for model-specific instantiation and prove that bounded stop-flip risk alone cannot certify positive expected utility under unrestricted severity. Across Qwen2.5-7B and Mistral-7B-v0.3, deeper future-learning probes have positive decision value and productive reuse yields strict equal-compute utility advantages. Qwen additionally provides evidence for a decision-nonredundant shallow revealability regime; in Mistral, a scalar continuation architecture fit only on an independent development panel retains positive familywise-adjusted lower bounds on a disjoint target panel, consistent with scalar decision sufficiency within the tested architecture family and resolution. The evidence supports structural rather than numerical transfer: the decision theory, cost accounting, continuation logic, and evaluation protocol transport, while empirical proxies, coefficients, thresholds, and even the required shallow state dimension may be system-specific.
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Machine Learning

UHI-Bench: Benchmarking Dual-Source Urban Heat Island Modeling Across Cities in Diverse Climate Regimes

Urban heat islands (UHIs) are intensifying under climate change, exacerbating thermal exposure risks. Their two primary observations, land surface temperature UHI (LST-UHI) and near-surface air temperature UHI (AirT-UHI), capture physically distinct aspects of urban heat. However, most studies rely on a single source, and substituting one for the other can substantially bias the magnitude and spatial variability of human heat exposure. Accurate UHI modeling also requires dynamic meteorological drivers and static urban morphology features, but spatiotemporal incompatibilities hinder their alignment. Cloud gaps in LST observations and sparse AirT station networks further limit dual-source UHI modeling, motivating cross-city transfer across diverse climates. To bridge these gaps, we introduce UHI-Bench, the first UHI benchmark for dual-source UHI modeling that integrates dynamic and static environmental context. Following a unified signal, mechanism, and transfer framework, it evaluates over 20 baselines from four model families on five tasks across 20 cities and nine Köppen climate classes. Results show that no model is uniformly best, although foundation models remain consistently competitive and stable. Environmental covariates generally improve performance, but their utility varies across sources and tasks. Cross-city transferability is better explained by overlap in UHI regimes than by climate-zone similarity. With the dataset and standardized pipeline, our work provides practical guidance for urban heat modeling, promotes climate data equity, and supports future advances in climate research.
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All authors Wanyun Ling, Chenxi Liu, Yi Xie, Aopu Xu, Zhuoqi Zeng, Ziyue Li

Machine Learning

FlowNeg: GFlowNet-Guided Diverse Hard Negative Sampling for Knowledge Graph Embedding

Negative sampling determines whether a knowledge graph embedding (KGE) model learns from informative counterexamples or wastes updates on implausible corruptions. Uniform negatives are diverse but easy, whereas hard-negative miners concentrate on few entities and collide more with held-out positives. We introduce FlowNeg, a context-conditioned hierarchical generative flow network that amortizes reward-proportional sampling without normalizing a composite reward over the entity set: given a positive triple and corruption side, it selects a type, then an entity. Its terminal reward combines bounded model-based hardness with a training-only structural score for held-out-positive collision, over a relation-specific type-compatible support. We derive the reward, specialize standard trajectory balance, and bound multiplicatively how residual imbalance perturbs terminal and mode probability. Across a descriptive five-seed grid of five architectures and five benchmarks, FlowNeg has higher mean MRR than EMU and than IF-NS in 24 of 25 cells ($+0.0172$ and $+0.0160$ on average). A separate 15-seed FB15k-237/RotatE control fixing negative count, diagnostic budget, and compute gives FlowNeg $0.359\pm0.001$ MRR against $0.346\pm0.002$ for EMU, with near-uniform fixed-partition diversity, high gradient informativeness, and low collision. The evidence supports mode-covering negative generation without treating structural similarity as an open-world truth oracle.
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Machine Learning · Cross-listed from cs.AI

Exploit More, Explore Smarter for Budget-Constrained Agentic Search

Budget-constrained agentic search arises when an LLM agent must refine candidates under a small evaluation budget, because validation is expensive, generation requires multiple model calls, or both. In this regime, standard MCTS allocates budget poorly: exploration bonuses dominate at low visit counts, unpromising siblings are expanded before promising chains can deepen, and branching is independent of node quality. We introduce ExTS, a tree-search policy that treats expansion itself as a value-of-information decision. ExTS combines three mechanisms: discriminative reward shaping to separate candidates under narrow score distributions, a stochastic virtual child that estimates the value of creating a new branch from the parent's reward history, and quality-conditioned branching that expands only when a node's score justifies the budget cost. Across prompt optimization, code generation, molecular structure elucidation, and agentic workflow optimization, ExTS is competitive with or improves over task-specific tree-search baselines, with an average relative gain of +5.5% using a single fixed configuration. We further introduce pilot-run diagnostics that characterize what makes budget-constrained agentic search problems structurally different from one another, providing both understanding of the problem space and practical guidance for adaptation.
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Machine Learning

PuzzleKV: Page-Wise Low-Rank Decomposition for KV Cache Compression

Long-context inference in large language models (LLMs) is increasingly limited by the memory required for the key-value (KV) cache. KV cache compression addresses this problem by reducing the storage cost of previous tokens. Among existing approaches, low-rank compression is particularly attractive because it represents every token in reduced dimensions. Previous low-rank methods typically derive fixed projection spaces from model weights, construct fixed spaces from calibration activations, or construct a shared basis over a broad cache region. Such representations may not capture detailed but important information. We partition each per-head KV cache into fixed-length logical pages and observe substantial low-rank structure within individual pages. Based on this observation, we propose PuzzleKV, a training- and calibration-free method that treats each completed page as an independent compression unit. PuzzleKV decomposes pages within each layer and KV head, computes attention directly over dense and factorized pages, and incrementally compresses newly eligible pages during autoregressive decoding. Experiments across models, context lengths, and benchmarks demonstrate the effectiveness of PuzzleKV under matched storage budgets. At approximately 60% of the original KV cache storage, PuzzleKV achieves more than 96% of Full KV performance across both evaluated models and all benchmark settings, with substantial gains over Global SVD on RULER and competitive performance on LongBench. To achieve a more aggressive compression ratio, PuzzleKV can be further combined with quantization while retaining more than 93% of Full KV performance using only 18.7% of the original storage.
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All authors Zizhong Wang, Jieying Wang, Zhao Zhang, Jiajia Li

Machine Learning · Cross-listed from cs.AR

Pipeline-Native Transformers: Co-Designing Model Architecture and CPU Inference for Bandwidth-Efficient Autoregressive Decode

Single-token autoregressive decode on CPUs is bound by memory bandwidth, not arithmetic: a modern CPU sustains roughly 1 TFLOP/s of compute but only about 50 GB/s from main memory, and each generated token must stream every active weight once. This report argues that the most effective response is to co-design the model architecture and the inference runtime together. It presents cflow, a CPU-first streaming engine, alongside a family of pipeline-native transformer architectures whose inter-layer dependency graphs are constructed to permit a vertical, stage-major execution schedule. cflow stores weights as L2-sized tiles in compute-consumption order, reads only the top-k experts of each mixture-of-experts layer, fuses projections, and executes a delay-aware schedule from per-model dependency parameters. Across five architectures trained on TinyStories, one (arch2_4_combined) achieves a 2.00x reduction in critical-path weight bandwidth (9.00 to 4.50 MB/token) within 0.24 perplexity of the best candidate, and the tile layout incurs 7.29x fewer L1-data read misses than a row-major baseline. On a 30.9-billion-parameter pipeline-native MoE, cflow decodes at 5.94 tokens/s (tok/s) on a 32-vCPU Ice Lake server, ahead of llama.cpp (4.75) and the vLLM CPU backend (1.65) on comparably sized dense models. Realizing the expert-delay window as asynchronous I/O overlap on a disk-resident expert tier yields a further net win of up to 1.68x, matching the overlap model within 1%. Measurement refutes one of the eight design claims and leaves a second inconclusive; both are reported in full, with the conditions under which they would hold.
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Machine Learning · Cross-listed from cs.CV

Infant Care Video Dataset for Classification of Interventions Using Transformers

Healthcare documentation in the neonatal intensive care unit (NICU) presents significant challenges, with nurses spending approximately 25% of their time on record-keeping, while up to 60% of interventions remain undocumented. Motivated by the need to detect interventions from video automatically, we present the Infant Care Video Dataset (ICVD), a collection of 4,144 videos spanning 12 simulated intervention classes designed for developing automated documentation systems. Our manikin-based approach systematically varies conditions, such as camera angle and clinician skin tone, while ensuring privacy compliance. Using video transformer architectures (TimeSformer and MotionFormer), we establish strong baseline performance (93.97% and 93.17% top-1 accuracy) among the 12 infant care classes. Our ablation study comparing temporal models with a framewise approach (23.17% accuracy) demonstrates a 70.80% performance gap, validating the need for temporal modeling. The ICVD provides a foundation for developing automated documentation systems to reduce clinical burden in neonatal care environments and improve existing practices.
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Machine Learning · Cross-listed from cs.CV

Predicting Radiologist Expertise from 3D Gaze Patterns During CT Interpretation

Accurate interpretation of volumetric CT requires efficient navigation of 3D image volumes and attention to diagnostically relevant regions. While eye-tracking has been widely studied in 2D medical imaging, its use for expertise assessment in CT settings remains limited. We propose a gaze-informed transformer framework for expertise classification in thoracic CT. Using a DINOv2 backbone, radiologist fixation patterns are integrated into volumetric feature learning through (1) a learnable log-space bias in self-attention and (2) gaze-weighted pooling of patch embeddings. We trained and evaluated our approach on 182 CT reading sessions from five radiologists with varying levels of experience. On a held-out test set, the model achieves an ROC-AUC of 0.91 and F1 score of 0.86, outperforming adapted methods. These findings suggest that incorporating visual search behavior into transformers may support objective, process-based expertise assessment in radiology. Code is available via https://github.com/leiluk1/GazeToSkill.
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All authors Leila Khaertdinova, Anna Anikina, Claudia Mello-Thoms, Bulat Ibragimov

Machine Learning

Generating Intervention Hypotheses using Explainable Explanations on Graphs: G2I, a Two-Stage Greedy Framework

Real-world decision-making in public health and social science can greatly benefit from predictive models, yet translating predictions into effective interventions requires explaining the model behavior. While Graph Neural Networks (GNNs) are well-suited for modeling relational data, existing explanation methods largely operate at the node level and fall short of supporting actionable, network-level intervention design. Existing counterfactual GNN explainers, such as CF-GNNExplainer and CF$^2$, rely on continuous mask optimization over features and edges, which implicitly assume feasible edge manipulation, may allocate effort to immutable or non-actionable attributes, and incur substantial computational overhead. Further, the method of arriving at the explanation itself is difficult to explain to a domain specialist who is not an AI expert. Can simple methods generate good explanations? To explore this, we reframe counterfactual explanation as an intervention design problem. At the local level, we generate counterfactuals via a greedy search that directly identifies minimal, actionable changes to node features and neighbor-level conditions. We derive conditions under which the greedy search provides guarantees, and empirically show that these conditions are approximately met. These counterfactuals are converted into interpretable rules suitable for real-world intervention. At the network level, we formulate intervention selection as a Disjunctive Normal Form (DNF) coverage problem under a budget constraint, which is nondecreasing and approximately submodular, enabling a greedy algorithm with theoretical guarantees. Experiments on synthetic graphs and real-world suicide risk networks demonstrate that our approach produces scalable, cost-effective intervention strategies with significantly improved efficiency over mask-based counterfactual methods.
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Machine Learning · Cross-listed from cs.RO

Learning to Act While Waiting: RL Finetuning of Generalist Robot Policies Under Inference Latency

While reinforcement learning (RL) allows generalist robot policies to continually improve during deployment, the large model size of modern generalist policies, such as VLAs, poses a fundamental obstacle to effective RL improvement. In particular, their severe inference latency—which can lead to pauses or jerky movements—can alter the effective environment dynamics and, if not correctly accounted for, break the Markov assumption that RL relies on, causing standard RL algorithms to fail completely. In this work, we introduce a latency-aware framework, Asynchronous RL with Intermediate Information (ARLI), that enables RL-based improvement of generalist policies under inference delays. Our framework builds on asynchronous inference approaches, which interleave action generation with execution to hide latency, and addresses its incompatibility with RL by providing a low-latency RL policy design that maximizes reactivity within the inference window through two contributions: state augmentations that restore near-Markovian structure by incorporating committed actions and a mid-inference observation. We evaluate our approach across simulated and real-world manipulation tasks, and find that it enables effective finetuning under inference delays where standard RL fails entirely, even matching or exceeding the performance of standard RL in idealized no-latency settings.
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All authors Brian Zhu, Momen Khalil, E Harrison, Emanuele Poggi, Philipp Schmitt, Bernd Kast, Philine Meister, Pranav Atreya, Qiyang Li, Finn Ferchau, Cesar Colmenero, Yash Shahapurkar, Gokul Narayanan, Melih Erdogan, Kai Wurm, Georg von Wichert, Oier Mees, Eugen Solowjow, Andrew Wagenmaker, Sergey Levine

Machine Learning · Cross-listed from cs.CL

Mitigating Exploration Bias in RL for Multi-Instruction Following

RL has emerged as a powerful paradigm for enhancing the instruction following capabilities of LLMs. While existing training recipes achieve substantial gains, we find that they suffer from exploration bias towards easy instructions when the training data has multiple instructions in a prompt. This bias is caused by two main reasons: 1) the policy model's initial ability to satisfy hard instructions is too low to trigger successful exploration during RL training, so the optimization is biased towards easy instructions; and 2) canonical RL training recipes typically employ a cumulative reward (the number of instructions fulfilled), treating all instructions equally, which biases the policy model towards fulfilling easy instructions to obtain the same amount of reward. To address these issues, we first propose two metrics to measure the exploration bias in instruction following and then introduce a two-stage framework to alleviate it: 1) Behavioral Bootstrapping, a lightweight rejection sampling fine-tuning stage before RL to activate hard instructions; and 2) Scarcity-Aware Rewards, a new RL reward function that assigns rewards to instructions based on their empirical scarcity. Experiments show that the proposed metrics are highly correlated with model performance, and our methods unleash the potential of RL training: our best models outperform the baselines by a significant margin across three verifiable instruction following benchmarks. We release codes at https://github.com/mianzhang/MulIF.
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All authors Mian Zhang, Yueqin Yin, Kaiyu He, Peilin Wu, Xinlu Zhang, Mingyuan Zhou, Zhiyu Zoey Chen

Machine Learning · Cross-listed from cs.AI

A Formal Methodological Framework for Auditing Robustness and Fidelity in Explainable AI: From Application to Trust Certification

SHAP and LIME are now standard tools for interpreting black-box predictions, yet their outputs can vary substantially when the input is perturbed by small amounts of noise–a problem we observed firsthand in our previous work on food security in Madagascar (Ralinirina et al., 2025). This variability raises the question of whether such explanations can be trusted at all. We address it by constructing an auditing protocol that measures two properties of any post-hoc explainer: robustness (how stable the explanation is under input perturbation) and fidelity (whether the features deemed important actually drive the model's prediction). These two quantities are combined into a single Trust Score. We run the protocol on a multi-sectoral dataset from Madagascar (83 features, 253 records, 4 malnutrition classes) using three classifiers and two explainers, plus their regularized counterparts. The results are sobering: models with AUC above 0.99 can produce numerically degenerate or flatly uninformative explanations, and fidelity scores lose discriminative power when the model is overfitted. These findings suggest that auditing XAI outputs is not optional but necessary, particularly when they inform decisions in sensitive domains.
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All authors Rosa Elysabeth Ralinirina, Jean Christian Ralaivao, Niaiko Michaël Ralaivao, Alain Josué Ratovondrahona, Thomas Mahatody

2608.23817 · 24 Aug · Peer-reviewed, accepted for publication in the proceedings, and presented at ICAI 2026 (https://icai.uni-eszterhazy.hu/2026/). This is the revised version. The organizers did not send the revision notification to the authors in time, and as a result the paper was not included in the proceedings. 10 pages, 4 tables, 3 figures

Machine Learning

AQLoRA: A Zero-Search Recipe for Fast Quantized LoRA Fine-Tuning

Quantized fine-tuning (QLoRA) saves memory but not time. It dequantizes every 4-bit weight on the fly, so it trains more slowly than fp16 LoRA. We present AQLoRA (Adaptive-Quantization LoRA), a recipe that buys part of that time back. One CPU pass ranks layers by NF4 reconstruction error, with no search and no calibration data, and keeps a fixed fraction of them in fp16. Those layers skip dequantization, which is where the speed comes from. A quality setting adapts every layer. A speed setting adapts only the top blocks, so the backward pass stops early. The selection matches the accuracy of Unsloth's hand-curated dynamic-4bit list. We evaluate on Commonsense-170K across six models and four architecture families, from 1.4B to 14B. The speed setting trains 11.3 +/- 2.3% faster than well-tuned QLoRA and gives up 0.1 to 1.5 accuracy points. It was faster in all thirteen independent timing sessions, at worst by 7%. The quality setting trains 4.8 +/- 2.0% faster, matches QLoRA's accuracy on every model, and is within a point of fp16 LoRA. The memory premium depends on the architecture: 0.06 to 0.8 GiB on the 1-4B models, 0.5 GiB at 7B, 1.9 GiB at 14B. These error bars are measured between independent sessions, not within one. Timing on shared hardware needs three rules: fix the measurement duration, not the step count; measure the noise floor from a duplicated arm; and repeat whole sessions, since on one model three sessions that each passed the floor test spread over 8.2 points. We validate the recipe with controls and report the two that failed. Choosing adapter layers by weight density is no better than random. Choosing protected layers by quantization error is not either, on five models at three budgets with memory-matched controls and downstream on two. The number of protected layers sets the speed; which layers they are does not measurably change accuracy.
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Machine Learning

Learning to Grade Efficiently: A Bandit-Driven Prompt-Selection Framework for Low-Cost LLM Essay Scoring

Large Language Models (LLMs) demonstrate strong capabilities in automated essay scoring (AES), but contemporary approaches typically employ fixed prompt selection, failing to address operational cost concerns and evolving optimal configurations. We propose a novel cost-aware approach that treats each prompt type as an arm in a multi-armed bandit (MAB) controller, enabling adaptive selection of optimal prompting strategies during inference. Our experiments on IELTS Writing Task 2 essays show that the MAB framework achieves comparable scoring accuracy to exhaustive grid search while reducing LLM calls by 78.4% to find the best grading approach. We implemented four distinct grading recipes (multi-step vs. single-step assessment, with vs. without calibration examples) and found that the multi-step approach with examples achieves the highest accuracy. By tracking token usage and latency alongside agreement metrics, we produce the first cost-reliability learning curves for essay scoring, providing actionable insights for educational technology platforms that must balance operational costs against assessment validity. This work represents the first application of online control mechanisms to adaptively select prompting strategies in AES, transforming prompt selection from an offline hyperparameter optimization problem into an efficient online learning task.
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Machine Learning

Discovering Cross-Language Reasoning Invariance in LLMs with Geometry-Invariant Sparse Autoencoders

Multilingual language models can solve the same mathematical problem in different languages, but it remains unclear whether they rely on shared features or on language-specific computations that only produce similar outputs. We study this question in five models from four families using the Multilingual Grade School Math (MGSM) dataset, with problems solved in English, German, French, Spanish, Russian, and Chinese, retaining problems with valid reasoning traces in all six languages and replaying those traces through the model to record representations at multiple layers. For each model, we first use Centered Kernel Alignment (CKA) to identify layers with cross-language alignment. At each selected layer, we train two sparse autoencoders (SAE): a baseline reconstruction-only model and a contrastive variant introduced in this work, the Geometry-Invariant SAE (GI-SAE). GI-SAE supplements the reconstruction loss with an Information Noise-Contrastive Estimation (InfoNCE) loss that trains the encoder to produce similar activations for traces of the same problem, regardless of language or token position. We then test whether the resulting shared features are functionally interchangeable by swapping their values between languages during the model's forward pass and measuring the resulting change in output, quantified by Kullback-Leibler (KL) divergence per feature. Although GI-SAE yields higher CKA and Jaccard similarity at nearly every layer, higher geometric similarity does not consistently imply greater functional interchangeability. We find that cross-language feature sharing is model- and architecture-dependent in this sample and appears at different depths in different models. GI-SAE primarily amplifies cross-language structure already present: the pattern is model-specific, with strengthening in Qwen, no functional benefit in Gemma, and mixed layer-dependent effects in Llama and Phi.
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Machine Learning · Cross-listed from cs.CV

LUCAID: Agentic Multimodal AI for Lung Cancer Precision Pathology

Lung cancer tissue diagnostics is complex, as therapy decisions in precision oncology rely on the integration of histomorphological, immunohistochemical, and molecular features. Yet pathological assessment remains largely visual and semi-quantitative and shows interobserver variability, while existing artificial intelligence (AI) tools cover only selected tasks, rarely reach generalizable expert-level performance, and lack prospective clinical validation. To address these challenges, we developed and clinically validated LUCAID, an agentic AI system for precision lung cancer pathology. An integrative agent couples diagnostic reasoning with nine modules that cover the full routine workflow, from quality control, tumor detection and segmentation, histological subtyping, tumor microenvironment profiling, tumor cellularity quantification, and predictive biomarker scoring (PD-L1, MET, TROP-2) to automated structured report generation. LUCAID enables users to interactively query the module outputs and generate reports that contextualize the results. Against large-scale expert ground-truth annotations, the analysis modules achieved F1 scores of 0.82-0.95. In prospective clinical validation, LUCAID reached 93.0% concordance with an expert-panel adjudicated reference standard across clinically actionable decisions, compared with 68.3-81.1% for five experienced thoracic pathologists.
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All authors Marie-Lisa Eich, Kai Standvoss, Timo Milbich, Alexander Möllers, Miriam Hägele, Philipp Anders, Lars Tharun, Hanna Kontradiuk, Sebastian Kons, Nader Aldoj, Recepcan Adigüzel, Adam Narai, Lukas Hönig, Jonathan Striebel, Binru Yang, Mihnea P. Dragomir, Marvin Sextro, Philipp Keyl, Philipp Jurmeister, Rosemarie Krupar, Evelyn Ramberger, James Wells, Julika Ribbat-Idel, Andreas Kunft, Hussam Shuaib, Christian Grohé, Reinhard Büttner, David Horst, Klaus-Robert Müller, Lukas Ruff, Maximilian Alber, Frederick Klauschen, Simon Schallenberg

Machine Learning · Cross-listed from cs.CV

Restoring Without Forgetting: Continual Learning Across Image Degradations

Recent progress in image restoration has converged on all-in-one architectures that jointly handle multiple degradations within a single network. These methods are effective on static benchmarks but target a closed-world setting that assumes simultaneous access to every target degradation at training time. In practice, degradations are encountered sequentially as field-deployed systems progressively face new environmental conditions, and historical training data is often unavailable due to privacy or storage constraints. Accommodating a new degradation then requires either retraining on the union of all prior data, which is often costly or infeasible, or fine-tuning, which causes catastrophic forgetting. We formulate multi-degradation image restoration as a continual domain-incremental learning problem, in which degradations arrive incrementally and prior data is unavailable. Our proposed Restoring without Forgetting (RwF) framework learns a lightweight adapter for each new degradation, eliminating forgetting by construction at a fraction of the cost of dedicated per-domain networks. To isolate degradation learning from dataset variation, we construct a benchmark spanning five degradation domains under shared image content. At test time, an unsupervised routing mechanism identifies the appropriate restoration path for unknown inputs without requiring domain labels. Across the five-domain sequence, RwF improves final average PSNR over naive sequential fine-tuning by 15.25 dB and 11.83 dB on the Restormer and NAFNet backbones, respectively. The framework transfers to eleven canonical real-degradation benchmarks (3,465 images) at 89.5% routing accuracy with only a +0.94 dB oracle PSNR gap, establishing, to our knowledge, the first systematic baseline for continual multi-degradation image restoration.
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Machine Learning

A Theory of Speciation in Generative Diffusion Models on Compact Riemannian Manifolds

Speciation in generative diffusion models denotes the emergence of distinct stable branches during denoising, through which initially undifferentiated trajectories progressively commit to different data classes. In this work we develop an intrinsic theory of speciation for diffusion models supported on compact Riemannian manifolds: the aim is to go beyond existing theoretical descriptions, which usually identify speciation with a symmetric pitchfork bifurcation and assume to work in a large-dimensional space. We characterize speciation by bifurcations of the critical points of the evolving probability density. A spectral heat-kernel representation makes explicit the role of the manifold geometry, while Poincaré-Hopf and Morse theory impose global constraints on the number and type of score equilibria and reveal topologically-imposed geometrical modes. For mixtures of heat kernels, we prove that generic speciation events have a one-dimensional critical kernel and admit an A2 fold normal form; pitchforks and simultaneous multidirectional transitions arise from nongeneric symmetric configurations. We derive geometry-dependent estimates of speciation times for bimodal mixtures and Riemannian regular simplices. We further establish structural stability of nondegenerate folds under score perturbations and show that the first-order time shift is determined solely by the component of the score error along the critical direction. The theory is illustrated on the sphere using mixtures of von Mises-Fisher distributions, where pitchfork and saddle-node bifurcations, topological modes, and hierarchical multiple speciations are observed. Finally, a chart-based intrinsic score-learning scheme based on neural networks contrasts the theoretically predicted transitions on prototypal and more complex datasets.
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