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#machine learning Preprint Open access Sep 2026

Population-Calibrated Graph Screening at 835-Million-Address Scale, with Label-Free Transfer to New Chains

Compliance screening of blockchain addresses is, in practice, a lookup against sanctions registries plus clustering heuristics; it fails on unlabelled addresses and on chains with no label coverage at all. We describe a deployed system that scores an address by its position in a multi-chain transaction graph rather than by its presence in a list. The substrate is a single graph of 835,330,427 addresses and 15,826,261,934 edges across five EVM chains; a shared inductive encoder with per-chain normalisation feeds two scoring heads. Decision thresholds are exact quantiles of the score distribution over the full population, scanned per chain segment, so the alert volume is known in advance. We report: label-free transfer: heads trained on two chains recall 0.8598 / 0.8182 / 0.9967 of held-out positives on Base, Arbitrum and Gnosis at a $10^{-3}$ population alert rate, with no target-chain labels in head training; a static lead-time replay over 68 external registry events: 40 of 68 (58.8%) flagged at the 0.1% budget, $\times$152 over an event-level random-flagging baseline, with first on-chain appearance a median of 528.8 days (Ethereum) / 647.8 days (Tron) before public designation; a serving path whose score is bit-identical to the offline artefact at end-to-end p50 151 ms, gated by a 2,882-address drift panel; and an adversarial harness of eight recurrent reinforcement-learned archetypes that passes an 8-criterion degeneracy audit and, on a detector-independent snapshot, exposes a measured blind spot of the deployed heads against synthesised behaviour.

Yury Korolev · 0 citations
#machine learning Preprint Open access Sep 2026

You Can't Escape Your Own Activations : Evaluation Awareness and Multi-Agent Monitoring

LLM agents are increasingly deployed in multi-agent systems, where they can collude while keeping their actions benign. Output monitors designed to detect such collusions can be fooled by obfuscation and steganography, motivating the use of probes trained on internal activations. However, these probes are usually evaluated on agents that do not know they are being watched. We study how activation-based detection changes when agents are explicitly informed that their internal activations are being monitored, and when they additionally receive feedback from the monitor. We keep the models, probes, and thresholds fixed and change only what the agents are told: nothing (baseline), that an activation monitor is present (aware), or that a monitor is present together with the previous round's score (feedback). We test two games, a four-agent blackjack game and a two-agent Simmons prisoners game, using Qwen3-32B-AWQ and GPT-OSS-20B in homogeneous and mixed pairings. Telling agents about the monitor does not hide them. The best probes stay accurate in all three conditions, and the agents keep colluding.

Aritra Das, Jaee Ponde, Mihir More et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Unifying Conformal Language Tasks with In-Context Ensembles

Many NLP tasks, such as summarization and extractive question answering, reduce to retrieving relevant content from documents under two constraints: coverage, retaining enough pertinent information to achieve some goal, and conciseness, removing as much irrelevant information as possible. Conformal prediction methods have been used to guarantee coverage, and must be optimized for conciseness through design of a score function. State-of-the-art scoring functions use hand-engineered LLM prompts asking the model to rate the importance of content, but manual prompt engineering is labor-intensive and task-specific. We introduce the Conformal Relevance framework which uses in-context learning example curation and ensembling to create a score function which maintains coverage while improving conciseness with minimal manual input. We demonstrate this framework's application on seven NLP tasks, and also theoretically study the impact of diversity for ensembled conformal scores, giving a complementarity condition that characterizes when ensembling improves worst-case sentence scores, and a saturation bound on ensemble improvement.

Xiao Shi Huang, Chen-Yuan Lin, Bruce Kuwahara et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Privacy Leakage in Federated Learning: Gradient-Based Client Identity Inference and Defenses for Inertial Sensing in Vehicular Edge Networks

As vehicular networks move toward 5G/6G edge intelligence, federated learning (FL) is widely promoted as a privacy-preserving way for vehicles and infrastructure to train shared models without exposing raw sensor data. Yet the updates clients transmit still leak enough information to identify who sent them, which threatens the anonymity that safety-critical V2X applications assume and adds to existing concerns over adversarial ML, model poisoning, and backdoor attacks. We study server-side client identity inference from transmitted weight deltas using inertial (IMU) measurements, evaluated on the UCI Human Activity Recognition (HAR) benchmark as an accessible proxy for the IMU streams produced onboard connected vehicles. Across five attack classifiers and five non-IID partitions, an honest-but-curious server recovers client identity with near-perfect accuracy (approximately 1.000) from undefended updates, confirming a concrete identifiability risk. We then quantify the privacy-utility trade-off of a lightweight clip-then-noise defense by sweeping Gaussian noise (sigma in {0.00, 0.05, 0.10, 0.20, 0.50, 1.00}) at fixed clipping (C=1.0), and report formal (epsilon, delta)-DP budgets through Renyi accounting. A practical region (sigma in [0.1, 0.2]) drives attack accuracy to near-random while costing under 5% relative FL accuracy. Ensemble FL supplies complementary structural privacy with a 1/K anonymity-set bound and no noise penalty. Results are supported by cryptographic (SHA-256) train/evaluation gradient disjointness, three seeds, and a count-normalized attacker-advantage metric. We position HAR explicitly as a proxy and discuss what validation on true vehicular telemetry would require.

Ali Akarma (Islamic University of Madinah, Madinah, Saudi Arabia et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Learning from Scarce Labels: Multi-View Echocardiography for Ejection Fraction Prediction

We present, to the best of our knowledge, the first publicly available resource for predicting left ventricular ejection fraction (EF) from parasternal long-axis (PLAX) echocardiography. Because no PLAX-EF datasets previously existed, our work focuses on an innovative data generation strategy to overcome this scarcity. By leveraging a time-based correlation between clinical notes and echocardiographic videos, combined with fine-tuning view classifiers and proxy labeling, we created a labeled dataset of over 25,000 PLAX videos. This enables us to train the first reproducible PLAX EF model, achieving a mean absolute error (MAE) of 6.86%. Given that apical four-chamber (A4C) methods, the clinical standard, report MAE values of 6%-7%, our results demonstrate that EF estimation from PLAX views is both feasible and clinically relevant. This surpasses the performance of existing methods and provides a clinically relevant solution for situations where apical views may not be feasible. Going further, we demonstrate that combining PLAX and A4C predictions via simple unweighted late fusion improves both single-view baselines to a 6.37% MAE, underscoring the value of multi-view integration. To promote continued research, we release the dataset labels, trained models, and runnable demos on GitHub, Hugging Face, and Google Colab: https://github.com/Jeffrey4899/PLAX_EF_Labels_202509

Zhiyuan Gao, Dominic Yurk, Yaser S. Abu-Mostafa · 0 citations
#machine learning Preprint Open access Sep 2026

Physics-Informed Neural Network Surrogate for Oxygen Vacancy Dynamics in epitaxial $\mathrm{SrTiO_3}$ on Si memristors via Dynamic Spectral Optimization

Physics-informed neural networks (PINNs) offer a promising framework for modeling semiconductor devices, yet standard architectures struggle with severe numerical stiffness and multiscale spatial discrepancies inherent to oxide heterostructures. Here, we demonstrate a cascaded PINN architecture coupled with a custom second-order Chebyshev second kind polynomial spectral optimizer (DSO V2 Hybrid) to model ion-electronic drift-diffusion transport in Pt/SrTiO$_3$/Si memristive heterostructures across a 20 nm STO film on a 380 $\mu$m Si substrate. By isolating potential, carrier density, and vacancy transport into four sequentially trained sub-neural-networks, our model circumvents condition numbers exceeding $10^{16}$ without operator splitting. The trained surrogate reproduces experimental conductive-AFM current-voltage hysteresis ($R^2 > 0.96$) while ensuring strict Poisson consistency across continuous space. Compared to conventional finite-element solvers (e.g., COMSOL), the PINN surrogate enables differentiable inverse parameter estimation and linear time inference.

Rodion Podorozhny, Nikoleta Theodoropoulou, Jelena Te\v{s}i\'c · 0 citations
#machine learning Preprint Open access Sep 2026

Statistical Feature Augmentation for Anomaly Detection in Dynamic Graphs

Dynamic networks are being applied in many domains, from social media to logistics systems, each with their own set of special characteristics. A model employed on this type of data must capture the duality between temporal/structural and feature-based information. Yet state-of-the-art deep learning models often struggle to learn especially short-term behavioral interaction signals, such as sender intensity or interaction inertia, directly from raw event streams. To address this gap, we propose a statistical feature augmentation method that explicitly encodes behavioral interaction statistics into the input feature space. We evaluate our proposed method on an anomaly detection task across three real-world datasets (Reddit, Wikipedia, MOOC) and seven models spanning both continuous-time and discrete-time architectures. As a baseline, we apply the same models trained on the original embeddings. Our results show, that augmentation consistently improves detection performance. Beyond performance, the enriched input enables fine-grained post-hoc analysis of behavioral importance, since each statistic occupies a dedicated input dimension. In particular, this work showcases a promising approach for merging classical network analysis with deep learning.

Philipp Schlinge, Jean-Luc Schnipper, Martin Atzmueller · 0 citations
#machine learning Preprint Open access Sep 2026

SurfSpec: Enhancing Off-Target-Agnostic Specificity by Bounding Pocket-Ligand Geometric Mismatch

Lead optimization in structure-based drug design aims to improve target binding while avoiding unintended interactions with off-target pockets. However, existing affinity-driven methods do not explicitly control specificity, whereas current specificity-aware approaches commonly require prior knowledge of off-target structures. We address off-target-agnostic specificity-aware lead optimization by analyzing the geometric mismatch between a ligand and the target pocket. We provide a conservative specificity lower bound for geometrically separated off-targets without requiring access to off-target structures. By metricizing pocket--ligand mismatch, the triangle inequality shows that reducing target--ligand mismatch improves a conservative lower bound on mismatch to a separated off-target class, which can be translated into a specificity lower bound through an empirical geometry--affinity calibration. Motivated by this analysis, we introduce SurfSpec, an off-target-agnostic lead optimization framework that iteratively grows ligands toward under-occupied regions of the target pocket surface. SurfSpec alternates between linker generation toward selected target-surface patches, which provides geometric pseudo-labels, and refinement under a pocket-conditioned ligand prior, which restores these pseudo-labels into valid ligands. On the CrossDocked2020 test set, SurfSpec reduces geometric mismatch and outperforms evaluated off-target-agnostic lead optimization baselines in empirical specificity, while maintaining competitive target-affinity improvement.

Minyeong Hwang, Yoorim Gang, Ziseok Lee et al. · 0 citations
#machine learning Preprint Open access Sep 2026

FrOGS: Discrete Neural Sampler for Independent Alloy Configurations Across Chemical Conditions

Predicting the thermodynamic properties of an alloy requires sampling its configurations across many chemical conditions and recovering free energies on a common absolute scale. Markov chain Monte Carlo (MCMC) is the standard tool, but it requires separate simulations at different conditions, and auxiliary free-energy methods such as thermodynamic integration are used to place results on a common absolute scale. Modern discrete neural samplers typically use reverse KL divergence as the objective and can be mode-seeking or biased. We present Free energy Offering Generative Sampler (FrOGS), a hybrid discrete neural sampler that couples an autoregressive model to a continuous-time Markov chain (CTMC) to be trained jointly under a single shared loss. FrOGS draws i.i.d. configurations, returns an unbiased estimate of the partition function, and gives consistent estimates of thermodynamic observables. We train a single model across a wide range of chemical conditions to produce estimates on a common absolute free-energy scale. FrOGS matches exact finite-size results on the 2D Ising model and reference phase diagrams for AgPd and CuAu, without mode collapse. We additionally compare to SEGAL, a published autoregressive baseline, and find that only FrOGS recovers the stability range of the CuAu$_3$ phase.

Kyucheol Min, Elyssa Hofgard, Tess Smidt · 0 citations
#machine learning Preprint Open access Sep 2026

LLM-Guided Reinforcement Learning for Adaptive NPC Behavior in Multi-Agent Combat Games

Scripted and rule-based non-player characters (NPCs) in combat video games often exhibit predictable behaviors that experienced players can exploit, while reinforcement learning (RL) agents typically retain a fixed policy after training and cannot readily adapt their strategy to different opponents. We investigate a runtime strategy-selection framework in which a large language model (LLM) guides a trained RL policy without modifying its underlying behavior. To demonstrate this, we train five NPC agents with a shared PPO policy in Unity and compare a baseline configuration, in which the policy acts independently, with an LLM-augmented configuration in which a locally hosted Mistral 7B model, accessed through Ollama, reads the live game state every five seconds and assigns one of four tactical tags. We evaluate both configurations against three scripted opponent types across 600 episodes and analyze outcomes using the Mann-Whitney U test. Against a Balanced opponent that changes tactics during an episode, the LLM-augmented agents more than doubled their win rate from 11% to 24% and produced significantly longer episodes. Against an Evasive opponent, the augmented agents achieved a higher win rate and faster kills, although their shorter episode duration did not satisfy the strict hypothesis definition. Against an Aggressive opponent, the LLM's near-constant preference for encirclement was counterproductive. Analysis of 2,430 strategy selections showed that Surround was selected in 83.8% of cases regardless of opponent type, indicating limited zero-shot strategic differentiation at this model scale. These results demonstrate both the potential and limitations of LLM-guided runtime strategy selection for adaptive multi-agent game AI.

Hrithika Deepu Nair, Kayvan Karim · 0 citations
#machine learning Preprint Open access Sep 2026

Towards Scaling Reinforcement Learning to Massive Populations: Learning Mean-Field Representations

Modern multi-agent systems are increasingly deployed at scale over large populations of agents in settings such as ad-auctions, traffic routing, and recommendation systems. The dominant approach in such settings is to optimize each agent's policy independently, treating the other agents as part of a fixed single-agent environment rather than modeling the population dynamics. In many large-population systems, the dynamics depend on an aggregate summary of the population rather than the identity of any individual. Mean-field RL exploits such structure, providing a principled framework that models each agent's environment as an explicit function of the population distribution. However, in large state-action spaces or high-dimensional control problems, modeling the population distribution is itself intractable. How can we design a scalable framework for high-dimensional control problems with large populations? This work explores this question from the perspective of representation learning. We introduce a mean-field RL framework in which the rewards and transition dynamics depend on the population only through an unknown low-dimensional aggregate statistic. We then study this framework in the offline setting and design a provable approach that learns a near-optimal policy by learning a low-dimensional representation. Motivated by real-life supply-chain optimization problems, we design a one-step routing game to test the hypothesis that learning a low-dimensional population representation improves reward prediction and Nash gap estimation relative to baselines that don't exploit this structure. We show that under a fixed neural-network parameter count and optimization budget, learning a low-dimensional population representation improves reward prediction and the equilibrium quality of the resulting policies.

Aditya Makkar, Benjamin Unger, Jeongyeol Kwon et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Hadronic Mono-Z Dark Matter Sensitivity with Flow Matching on CMS Open Data

We present a projected sensitivity study for hadronic mono-$Z$ dark-matter production using CMS Run~2015D HTMHT open data corresponding to 2.256382381~\invfb, from which 1{,}439{,}523 events satisfy the hadronic mono-$Z$ selection. Backgrounds are modelled with a conditional flow-matching continuous normalizing flow trained on the selected HTMHT events and evaluated on a held-out validation split reweighted to the full selected population. To mitigate artifacts from missing-object features and avoid in-sample scoring bias we apply sentinel imputation for undefined angular features, persist the train/validation split indices, and enforce a minimum reported background yield of 20 events when selecting the working point. A signal-side offline trigger proxy is applied to the simulated signal before scoring. Under this procedure the baseline analysis yields expected significances of 2.89$\sigma$, 7.62$\sigma$, and 7.41$\sigma$ for three simplified-model benchmarks. An ablation study that removes the detailed extra-jet kinematics reduces the expected significance by 53--71\%, indicating that extra-jet topology carries substantial discriminating power in the hadronic mono-$Z$ channel. These results are projected sensitivities (no unblinding performed); the limitations and reproducibility of the study are discussed in Sections limitations and reproducibility.

Hitesh Rasineni (VIT-AP University, Amaravati, India) et al. · 0 citations

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MIT News · Artificial Intelligence Aug 27, 2026

Looking beyond natural sequences

A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.