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Computer Science Machine Learning

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Tuesday 1 September

Machine Learning

OutageDiT: A Generative Foundation Model for Power Outage Forecasting and Scenario Simulation

Power-outage planning requires scenarios before an event occurs. These scenarios must represent uncertainty in magnitude, timing, and duration while preserving temporal dependence. However, severe events are rare, and data from any single region contain few examples of extreme outage and restoration patterns. To address this challenge, we introduce OutageDiT, a foundation model for generating seven-day outage trajectories at quarter-hour resolution, trained on outage and weather records across the United States. Specifically, a condition encoder processes the historical context and known future covariates once per forecast, and a shallow flow decoder reuses the resulting horizon-aligned states to generate complete trajectories. The resulting samples support point forecasting, uncertainty quantification, and conditional event simulation within one deep generative model. Across outage forecasting benchmarks, OutageDiT improves forecast accuracy and scenario quality over strong baselines and supports zero-shot transfer to held-out regions. Together, these results position conditional outage simulation as a bridge from outage forecasting to operational planning under uncertainty.
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Machine Learning · Cross-listed from physics.chem-ph

Latent unified smooth Hamiltonians for excited state chemistry

We describe a neural network architecture and training procedure designed to model electronic ground and excited states of arbitrary molecular systems. By indirectly learning a latent, implicit basis representation of the electronic-state Hamiltonian, the model offers a unified treatment of multiple electronic states, conical intersections, and non-adiabatic couplings. The formalism can be further extended to learn consistent latent representations of additional operators such as transition dipole moments, for example. To demonstrate the general capabilities of our architecture, we train and evaluate networks on two realistic photochemical systems, thymine and azobenzene. The resulting models accurately reproduce energies and oscillator strengths for the ground- and low-lying excited states relevant to the photochemistry of these systems. We highlight the performance of the trained networks by studying critical molecular geometries, including conical intersections and excited state minima. By construction, the proposed framework also recovers the emergence of Berry phase accumulation around conical intersections. By pairing key mathematical structure from quantum chemistry with the representation learning power of transformers, the presented architecture offers a qualitatively new path toward fast and accurate ground- and excited-state simulations.
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All authors David Juergens, Martin Stöhr, Andreas E. Hillers-Bendtsen, O. Jonathan Fajen, Todd J. Martínez

Machine Learning

Import What You Need: Learning When and How to Augment EHR Graphs with External Knowledge

Longitudinal prediction from electronic health records (EHRs) is limited by the sparsity and irregularity in patient trajectories, and knowledge augmentation with external knowledge graphs (KGs) offers a promising way to alleviate these issues. However, most existing methods perform fixed, context-agnostic topology augmentation by adding the same KG nodes and edges regardless of a patient's evolving state. We propose ReTA, a Reinforcement learning-based dynamic Topology Augmentation framework that casts KG import as a per-visit, budget-aware policy. ReTA first constructs an offline refined pool of KG-grounded templates, then learns a policy to select one augment action per visit from three options: Soft Import, which enriches node features without modifying graph topology, Hard Import, which grafts a compact KG subgraph onto the visit graph to create message-passing shortcuts, and Skip, which leaves the visit unaugmented when the base encoder is already confident. To stabilize learning, ReTA employs a decoupled encoder that processes semantic and structural signals in separate channels and fuses them via adaptive gating. Experiments on MIMIC-III and MIMIC-IV across diagnosis prediction, mortality, and readmission show that ReTA consistently outperforms strong baselines while remaining efficient, transfers across datasets and knowledge graphs, and yields interpretable augmentation patterns. The robust gains under sparse supervision highlight the advantage of ReTA's dynamic decision to import knowledge, boosting accuracy while curbing costs.
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All authors Chen Chen, Mohsen Nayebi Kerdabadi, Dongjie Wang, Mei Liu, Zijun Yao

Machine Learning · Cross-listed from cs.CL

Interpretable Symptom Vectors for Depression in a Large Language Model

Patients with depression present with diverse symptom profiles, yet clinical practice routinely reduces this variation to a single severity score. Large language models (LLMs) can potentially capture various symptoms and their severity from patient speech. However, how depressive symptoms are represented inside LLMs remains poorly understood, limiting clinical trust. To examine whether internal model activations match clinician judgment, we analyzed the residual stream of Gemma-3-27B-PT using mechanistic interpretability techniques. Recording activations across symptom descriptions drawn from validated clinical instruments, we found that symptom groups geometrically separated the most at layer 21 across multiple distance metrics. Using Semantic Projection, we then projected held-out naturalistic text onto Symptom Vectors constructed from these instruments. The resulting per-symptom coefficients preserved clinician-annotated rank ordering across mood, somatic, and suicidality axes. Furthermore, a single depression vector in Layer 21 separates held-out depressive from non-depressive text (AUC = 0.789), which can be used as an emotional valence gate that restricts symptom projection to depressive speech. These results reveal a decorrelated, clinician-aligned symptom signal readable directly from internal activations, offering a mechanistic foundation for interpretable depression-assessment tools.
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All authors Fangyi Zhu, Ajay Subramanian, Allison Constant, Camille Wang, Ravish Gupta, Corey J. Keller

Machine Learning · Cross-listed from cs.NE

Reinforcement learning to choose optimizers

No single optimization method is uniformly best for all problems, and the most suitable optimizer choice can change during a run. Existing approaches that change optimizer during execution typically predetermine part of the strategy: the portfolio is restricted to one algorithm class, the switch occurs once at a fixed time, or the frequency of decisions is treated as a hyperparameter rather than a learned one. We introduce "Reinforcement Learning to Choose Optimizers", which formulates the optimization algorithm choice as a sequential decision-making problem. At each decision, a recurrent policy reads the current run state and decides both which optimizer should be used next and for how long. The portfolio includes both gradient-based and derivative-free optimizers, and each switch passes on the current best solution and a representative step size. A context proxy conditions a gating network over expert heads, and training employs a decoupled actor-critic whose return is expressed in the same empirical runtime distribution metric used at evaluation. Training tasks and portfolio are designed jointly so that no optimizer dominates. On unseen problems, the learned policy outperforms every portfolio optimizer at all but the smallest budgets, and it remains robust under distribution shift.
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Machine Learning

SPD: Single Pass Decoding for Generative Reranking

Large language models (LLMs) achieve state-of-the-art generative ranking quality, but the ranking they produce must be decoded, and autoregressive decoding spends one sequential forward pass per emitted token. We observe that the only tokens a ranker must emit are the $N$ ordinal values naming the items in ranked order, and that this narrow, permutation-structured output format admits decoding strategies which are much more efficient than left-to-right generation. We introduce SPD (Single Forward Pass), a format-specialized decoding strategy that decodes all $N$ ordinals in $O(1)$ forward passes. SPD reads an $N \times K$ item-position score matrix off the LLM's prefill hidden states with a lightweight self-attention head, then decodes the ordinals as the optimal bipartite assignment of that matrix via the Hungarian algorithm, yielding a valid permutation by construction rather than by repair. Through a systematic study of training signals and backbone adaptation, we show that LoRA-based fine-tuning combined with auto-regressive LLM ranking distillation reaches 28 ms end-to-end inference, a speed-up of 64x while maintaining ranking quality on par with the teacher. We provide a complete ablation decomposing the contributions of architecture, training signal, and backbone adaptation. Our framework connects generative ranking to combinatorial optimization, opening a path toward other $O(1)$-decode mechanisms for real-time ranking.
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All authors Emil Laftchiev, Prachi Agrawal, Moe Kayali, Bixing Yan, Qi Xu, Zijie Lei, Chen Qiu, Zhi Hua, Ke Li, Luke Simon

Machine Learning

D-FROST: Decentralized Federated pRompt-tuning via Optimal tranSporT for Non-IID and Imbalanced Data

Prompt tuning provides a parameter-efficient way to adapt foundation models (FMs) by freezing the pretrained backbone and updating only a small set of learnable prompts. This property makes prompt tuning especially suitable for decentralized federated learning (DFL), where exchanging full-model updates can be prohibitively expensive. However, prompt tuning in DFL introduces new challenges. Prompt sets learned from heterogeneous local data may not be index-wise aligned, making standard decentralized averaging unsuitable. In addition, the algorithm should be theoretically guaranteed to achieve consensus and make progress toward the shared objective. In this work, we provide the first study of prompt tuning in DFL. We formulate decentralized prompt tuning as a Wasserstein-based optimization problem over prompt measures, which captures the set-valued structure of prompts. We then propose D-FROST, an optimal-transport-based (OT-based) decentralized prompt-tuning algorithm that merges neighborhood prompts into compact representative prompt sets through transportation-based matching. We further analyze D-FROST by bounding the Wasserstein consensus error across clients, and establishing convergence of the network-level prompt barycenter to a neighborhood of stationarity. Experiments under heterogeneous client data demonstrate the effectiveness of D-FROST for decentralized prompt tuning.
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All authors Quan Minh Nguyen, Hoang M. Ngo, Trong Nghia Hoang, My T. Thai

Machine Learning · Cross-listed from cs.CV

Ten Architectures, One Error: Shared Failure Modes in Hyperspectral Classification under Spatially Disjoint Evaluation

Hyperspectral image classification still relies heavily on random pixel splits within a single scene. The Salinas dataset, randomly split, is among the most widely used datasets for comparing different architectures. However, under a random split method, a large fraction of test pixels fall immediately adjacent to a training pixel, which inflates reported accuracy. This work introduces a leakage-free evaluation protocol linking spatial separation to the model's receptive field. Applying this protocol across ten different architectures, including classical, spectral, spectral-spatial, transformer, vision-backbone, and state-space families, shows that Macro-F1 drops by 0.147 on average and model rankings change by as many as five places. Furthermore, leakage-free evaluation limits which architectures can be tested on a given benchmark. Since each partition supports patches only within a finite radius, reporting this radius alongside the receptive field is essential for fair comparison. In addition, this study reveals that all ten architectures misclassify largely the same pixels, pointing to a spectral ambiguity in the data that none of them resolves.
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All authors Ehsan Faghih, Fatemeh Ashrafi, Marguerite Moore, Zahra Saki

Machine Learning

Emergence of Fibrations, Compression, and Symmetry Breaking in Artificial Neural Networks

Artificial neural networks are often regarded as powerful yet opaque black boxes. Here, we demonstrate that learning in deep neural networks generates local symmetries known in graph theory as fibrations and coverings. We prove that covering symmetries are stable attractors of stochastic gradient descent. Consistent with this theory, we report the emergence of covering symmetries across major network architectures, including multilayer, convolutional, recurrent, and transformer networks. Exploiting these symmetries enables drastic model compression - reducing networks to 17% of their original size without sacrificing performance. Furthermore, controlled breaking of covering symmetry overcomes the loss of plasticity, achieving state-of-the-art performance in continual learning. The theoretical results provide a new foundation for AI systems based on symmetries that convert black boxes into interpretable colored graphs and enable more efficient inference and lifelong learning.
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All authors Osvaldo M Velarde, Lucas C Parra, Alireza Hashemi, Hernan A Makse

Machine Learning

Toward Explainable and Policy-Aware AI for Carbon Credit Price Prediction: A Research Framework for Emerging Carbon Markets

Carbon markets put a price on emissions, yet that price remains hard to forecast. Work in this area clusters on the EU and Chinese schemes, compresses regulatory text into a sentiment score, and reports accuracy without calibration or explanation stability. We distil ten recurring gaps into an impact-feasibility matrix and propose EPA-CarbonNet, a six-layer architecture that fuses market series with policy text by cross-attention and calibrated intervals alongside policy-attributed explanations. We then build and test it on eleven years of daily S and P carbon index data. The findings are largely negative, and reported as measured: a random walk beats the model on five-day RMSE (0.0365 against 0.0475), SHAP rankings agree at rho = 0.54 across resampled backgrounds, and policy attention never coincides with documented regulatory events. Directional accuracy, at 58.6 percent, leads every baseline. Code, data documentation and all result artifacts are available at https://github.com/Kimalice/Toward-Explainable-and-Policy-Aware-AI-for-Carbon-Credit-Price-Prediction
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Machine Learning · Cross-listed from stat.ML

Pooling and Drift in Delayed Bandits

A system often has to act long before it learns whether the act worked: a recommender sees a click in seconds and a purchase in days. With $K$ actions and a delay of $d$ rounds, the best rate known for this setting is $\widetilde{O}(\sqrt{(K+d)T})$ over $T$ rounds, so a longer menu is always more expensive to learn from. It need not be: if the outcome depends on the action only through the state it produced, then one late outcome informs every action that could have produced the observed state, and the price is set by how many genuinely different states the actions produce rather than by how many actions there are. We measure this using an effective dimension $v_t$ between $1$ and the number of states, and prove $\widetilde{O}(\sqrt{(d+1)V\log K})$ for a rotating algorithm and $\widetilde{O}(\sqrt{V^{-}}+\sqrt{dT})$ for the single-copy algorithm used in practice, for any budget fixed in advance; merging similar states lowers the price further, at an explicit bias. Even when given the exact losses from $d$ rounds ago, no algorithm escapes $\Omega(\sqrt{dE\min\{1+\log J,T/d\}})$, where $J$ counts the drifting directions and $E$ bounds how far losses move while the learner waits. On generated data, the state channel cuts regret by up to 79 percent against action-level weighting and, on the funnel family, by 32 to 68 percent against a tuned minimax-optimal method.
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Machine Learning

A Study of Conditional Diffusion Models for Open-Loop Control under Dry Friction and Stiction

Diffusion models have recently emerged as expressive generative priors for planning and control. This paper studies Action Diffusion, an action-sequence diffusion formulation used as an open-loop proposal distribution for a point-mass system with dry friction and stiction. In this benchmark, motion starts only when the applied input exceeds a static-friction threshold, so effective controls occupy a small and temporally structured subset of the action-sequence space. A compact conditional 1D U-Net generates bounded control sequences conditioned on initial and target states. We compare it with uniform random shooting, random shooting from the same structured dataset prior, and the Cross-Entropy Method (CEM). Results show that Action Diffusion reduces terminal error and stuck steps, especially in low-sample regimes. These results indicate that conditional diffusion provides an effective mechanism for generating temporally coherent control sequences that overcome stiction by conditioning and recombining structured control primitives from the training prior for state-to-state open-loop control.
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Machine Learning

CAT-Flow: Curvature-Adaptive sTeps for Flow Matching

Flow Matching has emerged as a leading framework for generative modeling, powering state-of-the-art systems such as FLUX and Stable Diffusion 3.5. However, the iterative nature of its ODE-based sampling process creates a fundamental efficiency bottleneck: the quality of generated samples is highly sensitive to the choice of step-sizes, and current models typically require 20 to 30 steps for good quality. In this work, we propose two lightweight, training-free algorithms, CAT-OV and CAT-OT that adapt step-sizes at inference time based on a novel connection between Flow Matching sampling and gradient flow. Our algorithms are computed efficiently by not requiring additional neural function evaluations. Specifically, CAT-OT estimates curvature over time via a finite-difference approximation of the time-derivative of the vector field, while CAT-OV approximates curvature over the state space via a gradient of the vector field. Under suitable conditions, both methods have truncation error bounds of constant order. Empirically, CAT-OV and CAT-OT outperform existing step-size heuristics in image quality metrics across four text- to-image Flow Matching models, reducing the number of generation steps required to reach comparable quality by up to 40%.
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All authors Qinchan Li, Pedro Cisneros-Velarde, Keru Fu, Samuel Antunes Miranda, Sharan Vaswani, Hao Zhang

Machine Learning · Cross-listed from cs.SE

Harness Engineering in LLM Tool Use via Agent-Native Reusable Tool Primitives

Large language models (LLMs) augmented with external tools have demonstrated remarkable capability in solving complex real-world tasks. However, existing approaches suffer from two key challenges: brittle multi-step and multi-turn reasoning caused by incompatible tool output types and API schemas, and performance degradation under large tool catalogues. To address these, we introduce Tool Primitives, a design that replaces rigid API schema-based invocation with natural language as the interface for tool calling, where each tool is wrapped with an LLM interface that handles schema resolution and execution internally, enabling natural inter-tool communication for nested and multi-turn tool calling. Building on Tool Primitives, we host ToolFace, a centralized repository of 25,519 functions from which LLMs dynamically retrieve only the relevant tools at inference time, eliminating the need to enumerate raw API schemas in context. To orchestrate Tool Primitives and ToolFace reliably in complex settings, we further propose HEART, a Harness Engineering framework via Agent-native, Reusable Tool Primitives, comprising a Planner, Router, and Verifier that jointly support dynamic tool invocation planning, multi-step execution, and feedback-driven recovery. Experiments on five benchmarks demonstrate that HEART outperforms SFT-based models by $10\%$ on average and surpasses GPT-5.4, Claude-4.6-Sonnet, and Gemini-3.1-Pro by $6\%$ on average while reducing API cost by up to $85\%$. On 50 real-world tasks, HEART achieves $84\%$ task completion, $3.8\times$ the average of three frontier commercial models ($22\%$).
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All authors Haibo Jin, Suijin Wang, Xucheng Yu, Haojing Luo, Haohan Wang

Machine Learning

RecKAN: Kolmogorov-Arnold Networks with a Learnable Recursive Polynomial Basis

Kolmogorov–Arnold Networks (KANs) replace the fixed scalar weights of a standard network with learnable univariate functions on each edge, but existing variants still fix the basis that those functions are built from: B-splines, Chebyshev polynomials, wavelets, or Jacobi polynomials, and learn only the combination weights over it. We introduce RecKAN, which instead defines the basis itself by a second order polynomial recurrence, $R_{n+1}(x) = (ax^2+bx+c)R_n(x) + (dx+e)R_{n-1}(x)$, whose five coefficients are learned jointly with the network. We show this recurrence recovers several classical polynomial families including both kinds of Chebyshev polynomials, Fibonacci, Pell, and Jacobsthal polynomials as special cases, and prove that its degree grows linearly in $n$ exactly on the sub-family containing all of them, giving a concrete sense in which the learned basis can move beyond any fixed classical choice. Across multiple benchmark datasets spanning image, text, biomedical time series classification, and time series forecasting, RecKAN outperforms three parameter-matched KAN baselines (Chebyshev, Jacobi, and spline based) on all classification tasks and achieves the lowest MSE on the ETTh1 forecasting benchmark. Additionally, when used as a classifier head with a convolutional backbone, RecKAN achieves higher accuracy than standard MLP heads on Fashion MNIST, CIFAR-10, and SVHN. On a synthetic function fitting benchmark it tracks a sharply oscillatory target that a parameter comparable MLP under fits. We further show that the learned recurrence coefficients are interpretable: on the task requiring the most local structure, training moves the basis away from the linear degree growth regime that contains every classical family we identify, consistent with our theoretical analysis of what that structural shift enables.
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Machine Learning · Cross-listed from cs.CR

Hearing the Whispers: Black-Box Membership Inference Attacks on Finetuned TTS Models

Text-to-Speech (TTS) foundation models are increasingly fine-tuned on private datasets to synthesize highly personalized voices, introducing severe privacy risks by exposing both biometric identities and sensitive speech content. Existing black-box membership inference attacks (MIAs) follow a two-stage pipeline of query generation and representation engineering, both of which face unique challenges when adapted to TTS. For query generation, dual conditioning on synthesis text and reference speech creates a large and underexplored query design space with no established criterion for identifying an effective query. For representation engineering, the multi-level speech characteristics and temporal variability of speech make low-level representations and direct comparisons inadequate for capturing membership signals. To address these challenges, we present the first black-box MIA framework explicitly tailored to TTS models at both the speaker and record levels. For query generation, we characterize the feasible query space and establish two criteria, scorable extent and memorization elicitation, for evaluating five representative queries, identifying recitation as the strongest. For representation engineering, we obtain multi-level speech representations from embedding models and temporally align the generated and target audio for fine-grained comparison. Evaluations across three state-of-the-art TTS models (CosyVoice2, F5-TTS, and XTTS-v2) fine-tuned on two benchmark datasets (VCTK and British Dialect) reveal severe privacy leakage: speaker-level AUC remains above 0.80 and approaches 1.0 in the strongest settings, while record-level AUC ranges from 0.80 to 0.90 and remains effective even in challenging scenarios where both members and non-members are of the same speakers. We further identify speech characteristics associated with disproportionate vulnerability to memorization.
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All authors Kunlin Cai, Kaiyuan Zhang, Zihang Xiang, Jinghuai Zhang, Abeer Alwan, Fnu Suya, Yuan Tian

Machine Learning

Generative Diffusion Surrogates with Analytical Variance Schedule

Stochastic transport describes physical systems in which an initially structured distribution spreads under unresolved forcing, scattering, or heterogeneous media. Useful surrogates for such systems should be probabilistic, time-resolved, and able to represent non-Gaussian distributional structure. Generative diffusion models, which corrupt data with Gaussian noise and learn a reverse flow back to structured states, have these properties. Their noise schedules, however, are usually chosen heuristically: image and audio generation—the canonical use cases—provide no physical clock. In transport, by contrast, the variance, or mean-square displacement, is often known from macroscopic theory or empirical scaling even when the full distribution is not. Here we prescribe the forward noising rate as the time derivative of this variance, turning generative time into a calibrated transport clock. The variance path is enforced by construction, while the learned score field represents how non-Gaussian structure inherited from entrance data is smoothed along that path, requiring no intermediate-time physical transport data. For ballistic-to-diffusive transport in turbulent plasmas, the surrogate matches test-particle distributions, reproduces the laboratory-measured variance scale, and tracks the simulated kurtosis evolution without schedule tuning, enabling calibrated emulation and likelihood-based inference.
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All authors Patrick Reichherzer, Gianluca Gregori, David N. Hosking, Subir Sarkar

Machine Learning

Tri-Band Channel Measurement-Enabled Multi-Layer Digital Twin for Terahertz Wireless Data Centers

The rapid growth of AI computing has driven increasing demands for flexible and high-capacity data-center interconnections. Owing to its ultra-wide bandwidth and high spatial reuse capability, terahertz (THz) communication has emerged as a promising solution for future wireless data centers, while digital twins (DTs) enable efficient wireless planning and real-time optimization. In this work, a measurement-driven multi-layer DT framework is proposed for THz wireless data centers, where the physical, channel, evaluation, and manipulation layers are progressively constructed from bottom to top. First, extensive channel measurements are conducted at 140, 220, and 300 GHz to characterize frequency-dependent propagation behaviors. Based on the tri-band measurements, a measurement-calibrated physical twin is established by jointly optimizing the geometry, material, antenna, and hybrid propagation models. On top of the physical twin, a line-of-sight (LoS)-aware implicit neural field is developed to construct an AI channel twin for efficient channel reconstruction. The proposed AI twin learns location-dependent channel statistics from the calibrated twin, enabling real-time prediction of received power and LoS probability. Building upon the reconstructed channel field, a system-level evaluation layer is derived to analyze coverage and interference for both AP-to-rack and rack-to-rack communications. Experimental results show that the proposed AI twin achieves lower power reconstruction error than existing neural-field baselines while maintaining real-time inference capability. Moreover, the ceiling-mounted AP deployment achieves over 90% coverage under a 10 dB signal-to-interference-plus-noise ratio (SINR) threshold, demonstrating the effectiveness of the proposed DT framework for THz wireless data-center planning and optimization.
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All authors Mingjie Zhu, Ziming Yu, Guangjian Wang, Chong Han

Machine Learning · Cross-listed from cs.CV

FairLens: Benchmarking Fairness in Vision-Language Models for High-Stakes Decision-Making

Vision-language models (VLMs) are increasingly used to make decisions from visual inputs. We introduce FAIRLENS, a benchmark and evaluation framework for measuring both the fairness and the validity of VLM responses in three high-stakes domains: hiring, legal, and healthcare. FAIRLENS pairs real face images spanning gender, race, and age groups with closed- and open-ended questions, giving more than 100K image-question pairs per model, and evaluates responses from four complementary views: demographic parity over adverse outcome rates, soundness, demographic association over unsupported roles and statuses, and bias in free-text generation. Soundness is the central validity criterion: a response is sound when it follows the evidence stated in the question and abstains when the image cannot support an answer. Evaluating eight VLMs, we find that the primary failure is unwarranted inference rather than unequal treatment. Models routinely infer qualifications, threat, illness, or professional role from a face instead of abstaining, and the weakest model does so on 99% of the questions its input cannot answer. These failures are most severe in legal and healthcare, where recognizing insufficient evidence matters most, and disparity metrics alone would miss them: parity gaps are small in absolute terms, yet when baseline adverse rates are low the same gap means one demographic group receives adverse labels several times as often as another, and a small gap can equally reflect a model that treats every group unsafely. Bias in free-text responses is only loosely coupled to multiple-choice accuracy, so correct structured answers do not imply safe generation. FAIRLENS shows that fair high-stakes VLM behavior requires similar treatment across groups and refusal to infer high-stakes attributes from appearance, and its question suite transfers to any face corpus with demographic annotations.
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Machine Learning

Median-of-Means as an Extremal Convex Estimator and a Nonconvex Route to the Trimmed Oracle

We revisit median-of-means estimation from a deterministic optimization viewpoint and develop a family of block-Lp estimators for robust learning with heavy-tailed and adversarially corrupted data. In a block contamination model with at least a fraction 1 minus epsilon of good blocks, we first show that every convex block M-estimator has worst-case robustness constant at least 1 divided by 1 minus 2 epsilon. This matches the classical median-of-means bound and proves that the trimmed-block oracle constant 1 divided by 1 minus epsilon cannot be attained within the convex class. We then introduce a nonconvex block-Lp family for p between 0 and 1 and derive finite-sample deterministic robustness bounds for all global minimizers. As p decreases from 1 toward 0, these bounds continuously approach the trimmed-block oracle constant. For sufficiently small p, the global minimizers coincide with those of the oracle under a mild separation condition. We also show that the block-Lp objectives have a benign landscape, with all local minima remaining close to the truth and no bad basins. Combining these results with block-level concentration yields sub-Gaussian deviation bounds under finite 2 plus delta moments and high-dimensional extensions to robust mean estimation and sparse regression.
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Machine Learning · Cross-listed from cs.CV

FORGE: Forward-Only Test-Time Adaptation for Integer-Only Vision Models on Microcontrollers

Vision models deployed on microcontrollers (MCUs) are quantized to integer-only arithmetic and run in inference-only runtimes that do not carry the machinery backpropagation needs: the standard tool for adapting a model to the distribution shift (sensor noise, blur, lighting) it meets in the field. Existing forward-only test-time adaptation (TTA) methods either run only on server- or edge-GPU-class models (not true microcontroller integer execution), or require the batch-normalization (BN) layers that integer deployment fuses away. We present a forward-only TTA method that operates on deployed, BN-folded, integer-only convolutional networks. The key observation is that fusing BN into the preceding convolution, a mandatory step for integer inference, destroys the statistics that normalization-based adaptation relies on. We restore adaptation by re-normalizing each folded convolution's per-channel output to its clean training statistics, using only forward-pass estimates. The method (i) recovers most of gradient-based TENT's accuracy gain (+20.9 vs. +24.9 points) and matches forward-only BN adaptation, while being the only method that runs on a folded integer-only model; (ii) needs to adapt only 3 of 21 layers (selected without seeing the test corruptions) to recover 93% of the benefit; (iii) survives single-sample streaming with a batch-size-scaled momentum; and (iv) generalizes across three datasets (up to 200 classes) and two architectures. We validate bit-exact int8 convolution execution and deploy on an ESP32-S3, where, measured with a Nordic PPK2 power profiler, the forward-only adaptation (a lightweight fp32 recalibration around the int8 convolutions) costs only 8.3 mJ (6.8% of inference energy) and 21.9 ms on the deployed SIMD-optimized model: forward-only adaptation is cheap on a real microcontroller.
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All authors Muhammad Rehan, Haider Ali, Muhammad Ali Munir, Moaz Amjad

Machine Learning

Reinforcement Learning and Rule-Based Peer-to-Peer Pricing in Residential PV-BES Communities

This paper compares rule-based and learning-based pricing mechanisms for peer-to-peer (P2P) electricity trading in residential photovoltaic communities. The rule-based benchmarks comprise bill-sharing as an ex post allocation mechanism, the mid-market rate, and supply-demand-ratio pricing. The reinforcement-learning (RL) formulation is implemented through a Deep Q-Network and evaluated under multiplier-based and learnable SDR-shaped pricing, with a fixed-parameter SDR variant as a non-learning control. Performance is assessed through community savings together with complementary financial and operational indicators. In the base PV-only configuration, the rule-based benchmarks outperform the best RL policy. With battery energy storage, evaluated for the RL policies only, community savings under the best RL policy increase from EUR 734.23 to EUR 978.52. Across the learning-based modes and in both configurations, SDR-shaped pricing outperforms the multiplier-based parameterization considered. The results indicate that rule-based pricing remains highly competitive wherever the two families are compared directly, and that storage substantially improves the learning-based outcomes under this accounting, while the distribution of benefits remains heterogeneous across households.
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All authors Pablo Benalcazar, Maciej Kalka, Wilian Guamán, Jacek Kamiński

Machine Learning

A Survey on Self-Improving Test-Time Intelligence: Feedback-Driven Adapting, Learning, and Scaling at Inference

The ability of AI systems to improve their behavior during deployment is becoming increasingly important. As inference moves beyond the static execution of a fixed trained model, a growing body of work studies how models can refine their behavior on the fly by exploiting test-time information and additional computation. These developments have largely evolved along two directions: methods that modify the model's state using test-time signals, and methods that improve predictions through extra inference-time resources such as more sampling and tool use. However, these directions are often studied in separate communities with different terminology, making their connections harder to see. In this survey, we present feedback-driven Test-Time Intelligence (TTI) as a unified perspective for understanding such deployment-time improvement. We use this view to relate test-time adaptation, test-time learning, and test-time scaling, highlighting both their distinctions and their growing overlap in hybrid systems. This unified framework helps connect previously fragmented ideas and provides a clearer conceptual foundation for studying inference-time self-improvement. We review major methodological paradigms, representative applications, and open challenges across vision, language, multimodal learning, generative models, robotics, and healthcare. Our goal is to provide a coherent foundation and research roadmap for the study of self-improving AI systems at test time.
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All authors Shuaicheng Niu, Guohao Chen, Yaofo Chen, Zhiquan Wen, Jinwu Hu, Zeshuai Deng, Deyu Chen, Shuhai Zhang, Renjie Chen, Zihao Lian, Shoukai Xu, Gang Dai, Yunbei Zhang, Wei Luo, Yifan Zhang, Mingkui Tan, Cheng Deng

Machine Learning

Sim2Signal: Sim-to-Real Benchmarks for Traffic Signal Control

Reinforcement learning achieves strong traffic signal control performance in simulation, yet policies trained in simulators often fail once deployed in the real world, a failure known as the Sim-to-Real gap. When RL is applied to traffic signal control, this gap arises from several sources: sensing, action execution, traffic dynamics, and the control objective. Their relative impact and the reliability of existing Sim-to-Real mitigation methods remain insufficiently understood, and the field lacks a standard benchmark for systematically measuring the gap and evaluating mitigation methods. We present Sim2Signal, a benchmark that decomposes the Sim-to-Real gap into observation, action, transition, and reward gaps, corresponding to mismatches in the four components of the underlying MDP, and induces each gap in isolation under a shared protocol. We evaluate 18 mitigation methods on 2 base controllers, across 33 gap settings and 10 calibrated networks built from 5 real-world locations. We find that direct transfer consistently degrades performance across all four gap sources, but the severity of the degradation does not predict the effectiveness of mitigation. Instead, mitigation effectiveness depends strongly on the network and gap setting: outside the action gap, a method that helps in one case may fail in another. The most effective methods generally estimate what the gap changes, rather than make the policy insensitive through domain randomization or invariant representations. Our code is available at https://github.com/DaRL-LibSignal/Sim2Signal
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All authors Ferdous Al Rafi, Susrik Mukherjee, Latika Liladhar Dekate, Jennifer Yawa Lavoe, Huaiyuan Yao, Shlok Mohanty, Longchao Da, Xuesong Zhou, Hua Wei

Machine Learning · Cross-listed from stat.AP

Random Forest-Informed Cellular Automaton for Large-Scale Wildfire Spread Modelling

Accurate large-scale wildfire spread modelling requires models that capture both the environmental conditions associated with fire occurrence and the local dynamics of fire propagation. We propose a three-stage framework that combines a Random Forest (RF) model with a cellular automaton (CA). First, an RF model trained on the 2021 Canadian fire season estimates daily pixel-level fire-occurrence probabilities. Second, quantile gradient boosting models provide optional spread-rate priors for sensitivity analysis. Third, an RF-informed CA combines the RF probability layer with neighbourhood-driven spread on a 5 km grid. The RF model achieved AUC values of 0.725–0.795 on the 2022–2024 datasets, while the RF-informed CA achieved substantially higher spatial overlap than the evaluated CA-only baselines in the 2023 simulation. A higher-resolution simulation provides an additional qualitative assessment of local spatial errors. These results suggest that combining RF-derived probabilities with local CA spread can improve large-scale wildfire simulations under the tested conditions.
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Machine Learning

CliffRank: A Dual-Branch Framework for Activity-Cliff Ranking Prediction

Activity-cliff ranking remains difficult because local structural changes can cause large activity differences, while high-quality data that resolve the underlying mechanisms remain limited. To use available activity labels more effectively, we combine absolute-activity regression with ranking-consistency learning. CliffRank trains two parallel predictors with mean squared error, a thresholded listwise loss, and Pairwise Preference Consistency (PPC), which aligns relative ordering in the preference-probability space. On three antimicrobial peptide datasets, CliffRank with ESM2-t12 achieved the highest mean Spearman correlation of 0.5393 and mean Recall@50 of 21.4, although the leading method varied across individual datasets. On three small-molecule datasets, CliffRank with PNA, where PPC was activated after 120 epochs, achieved the highest mean Spearman correlation of 0.6890, while its mean Recall@50 of 30.4 matched that of ACANet-PNA. The PPC results also define its practical limits. Asymmetric initialization improved the MolCLR-GIN averages but did not improve every target. For PNA without pretrained weights, delayed PPC improved selected metrics, but no schedule was best for both mean Spearman correlation and mean Recall@50. Future work should evaluate more targets and antimicrobial peptide systems, develop adaptive PPC schedules, and incorporate protein or membrane context when available.
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All authors Kewei Li, Rongying Zhang, Peiyu Yang, Zhongjian Wang, Qiuchen Zhao, Lan Huang, Fengfeng Zhou

Machine Learning · Cross-listed from cs.CR

Private Computation Space: Experience with Trusted Multi-Cluster Federated Learning for Agriculture

Artificial Intelligence has shown to help improve agricultural practices, yet adoption remains limited: 69% of U.S. farmers have privacy concerns with sharing their data, and these concerns must be addressed before adoption is widespread. While Federated Learning has been demonstrated to protect privacy at scale for other sectors, deploying a system for agriculture comes with its own set of challenges; the problem necessitates a system that can protect farmer data and identities while preserving model utility, runs on commodity hardware, and is resilient to fragile rural infrastructure. To address these concerns, we introduce the Private Computation Space (PCS), a deployed, open-source Machine Learning system to provision and process farmer data securely. We design a system tailored to an agricultural setting, with multi-cluster orchestration for reliability in rural areas with asynchronous Federated Learning (FL), Differential Privacy (DP), and Trusted Execution Environments (TEEs), to allow farms to participate in the framework while keeping their data private. We evaluate the system on two deployed workloads: monitoring nitrogen with living plant sensors in NY for six months and predicting evapotranspiration from weather stations in CA for ten months. Our evaluation finds a Dice Similarity Coefficient (DSC) of 0.71 and $R^2$ accuracy of 0.84 for the respective workloads, improving the worst single-site model accuracy by 22.4% and 9.1%, respectively, while preserving privacy.
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All authors Shuangyu Lei, Muhammad Salman Abid, Jacob Belding, Sam Mosher, Manushi B. Trivedi, Shivranjani Baruah, Liam Wickes-Do, Andrew Anderson, Braulio Dumba, Alyssa Whitcraft, Ritvik Sahajpal, Sijin Li, Kelly Robbins, Michael Gore, Margaret Frank, Steven Wolf, Liz Jones, Abraham Stroock, Kaitlin Gold, Hakim Weatherspoon

Machine Learning · Cross-listed from cs.CL

Beyond Scores: Understanding LLM-as-a-Judge Mechanisms in Summarization Evaluation

LLM-based evaluators of natural language generation (NLG) quality are widely deployed as scoring tools and as automated training signals, yet the internal procedure by which they assign a rating remains poorly understood. We investigate this procedure mechanistically through an eight-attack perturbation taxonomy across the Readability and Adequacy dimensions of NLG quality, a generation pipeline that produces paired clean and corrupt summaries with controlled error intensity and explicit token-level modification maps, and a four-experiment battery of causal tracing, logit-lens vocabulary projection, and attention-head knockout applied to Themis (Llama-3-8B) and Prometheus (Mistral-7B). Both evaluators implement a structured, coherent evaluation pipeline operating in two stages: below layer 15, attention performs local error comparison and routes the result to the final input position; above it, the MLP cascade integrates the signal and writes the rating, with the decision crystallizing in the residual stream at a sharp late layer (L = 26 on Themis, L = 25 on Prometheus). Furthermore, a base-model control at the same scale (Llama-3-8B) reproduces the routing architecture and crystallization but not the stage separation, isolating the two mechanisms that fine-tuning specifically installs, suppression of below-L15 MLP contribution at the last position and a two-layer advance of the crystallization depth, indicating that fine-tuning sculpts an existing substrate rather than building the pipeline from scratch. We release the source code and data at https://github.com/himil-v/judge-mech
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Machine Learning · Cross-listed from cs.RO

Facet-0: A Robotic Foundation Model for Contact-Rich Precise Manipulation

Real-world robotic assembly at sub-millimeter tolerances demands spatial precision, compliant interaction, and robustness to contact failures. We present Facet-0, a robotic foundation model that predicts and values the contact consequences of its actions. Facet-0 unifies multimodal representation learning and reinforcement learning (RL) post-training around a joint action-wrench proposal: a causal wrench history is aligned with vision-language semantics and kinematic state, and flow matching generates each action chunk together with the future wrist-wrench profile it is expected to induce. Deployment rollouts train a distributional Action-Wrench Critic to distinguish motions with similar task progress but different contact outcomes, while phase-aware rewards and contact-selective credit concentrate policy improvement on decisive interactions. To accommodate part-specific dynamics, a lightweight bounded actor reuses the frozen representation for on-robot adaptation; RL remains defined over executable Cartesian actions, while an auxiliary wrench head preserves predictive, non-commanded action-contact coupling. Trained on ManuFacet-1K, a 1,000-hour force-synchronized corpus spanning three embodiments and multiple manufacturing cells, the bounded task-adapted system reaches 82% mean success on five sub-millimeter computer-assembly tasks, compared with 15% for the strongest baseline, with 0.5 mm placement accuracy and 50 ms command latency.
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All authors Haoyuan Deng, Haichao Liu, Wenkai Guo, Yuan Ling, Zaijia Yang, Yuanjiang Xue, Haosheng Sun, Liangzi Wang, Ziwei Wang

Machine Learning

The Structure of Quantization Damage in LLMs: Why the Next Bit Should Be Spent Globally

Post-training quantization (PTQ) is widely used to reduce the cost of serving large language models (LLMs), but its accuracy cost is uneven and is often tuned per model. We study where quantization damage occurs and how to allocate a small additional precision budget. Using causal mixed-precision intervention as ground truth (raise each layer to 8-bit in turn and measure the accuracy it recovers) across 9 open-weight models in 4 architecture families, we test 3 intuitive hypotheses: that quantization damage lives in task circuits, where the model computes, or in weight statistics. None of them predicts which layers benefit from restored precision. Recovery is instead diffuse: for 8 of 9 models, recovering 75% of the gap takes roughly half the layers; the lone exception, Qwen3-8B, is sharply concentrated. At a matched precision budget, spending it globally on finer quantization granularity beats locally repairing the most recoverable layers for all 8 group-128-compatible models (all but OpenLLaMA, whose width rules out group-128), by 21-52 points, including the concentrated Qwen3-8B. We report 2 secondary findings: the residual is budget-limited (8-bit is near-lossless in our evaluation across RTN, GPTQ, and AWQ), and the location of peak recovery correlates with architecture within a family, though not across families. Within this budget setting, global granularity is a better default than selectively protecting critical layers. More broadly, cheap signals that correlate with quantization damage do not necessarily identify where restoring precision improves accuracy; this must be tested with causal intervention.
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