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
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
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.
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
Reach audiences
Advertise in front of researchers, engineers, and readers.
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
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
As the music industry becomes an increasingly collaborative effort, understanding the underlying structures of the artist network has become a focal point in cultural data analytics. This study expands on the previous analyses of the Italian and Danish networks by introducing a novel dataset of the Polish music scene. By utilizing methodologies used in the prior studies, this work enables a direct comparison between three distinct European music landscapes and allows to merged the created networks into one. Furthermore, this research introduces a framework to test the efficacy of Graph Neural Networks (GNNs) for artist popularity predictions based on the metadata and the position in the network. The statistical analysis revealed that the Polish and tri-national network exhibit similar properties and clustering behaviours, consistent with prior models. An evaluation of the predictive architectures reveals that while GNN models achieve a comparable F1-macro scores to the Multilayer Perceptron (MLP) in specific cases however the MLP remains a superior model regarding the success metric. The results suggest that internal node features - such as genre and label affiliation might carry more predictive capabilities than the topology of the network. The higher performance of the GNN models in the tri-national network might also suggests that the relational features become more informative when the network spans multiple linguistic and geographic boundaries, with the GNNs potentially capturing complex 'bridge' structures between the merged networks.
Large-scale public events, such as religious festivals, political rallies, and cultural gatherings, are increasingly vulnerable to the rapid dissemination of misinformation, posing substantial risks to public safety and social cohesion. While automated fake news detection has seen significant methodological progress, existing benchmarks frequently fail to capture the socio-cultural nuances and event-specific dynamics characteristic of the Indian context. This paper introduces BharatGather, a curated, multi-source dataset specifically engineered for binary misinformation classification within the ecosystem of Indian mass gatherings. The corpus comprises 14,646 records constructed through a hybrid pipeline involving systematic web scraping of prominent fact-checking platforms, multimedia transcript extraction, and Large Language Model (LLM)-mediated synthetic augmentation to ensure narrative diversity. By providing a resource tailored to the unique complexities of event-aware misinformation in India, this work facilitates the development of culturally informed detection systems and establishes a rigorous benchmark for evaluating their performance in high-stakes public environments.
Parth Bramhecha, Smit Deshmukh, Sairaj Bodhale et al.· 0 citations
We introduce the first Probably Approximately Correct (PAC) learning framework for general-sum concurrent stochastic games (CSGs) with transition uncertainty, while addressing the challenge of Nash equilibrium (NE) existence. Our algorithm maintains data-driven $L^1$ confidence sets over transition kernels and solves a robust CSG to compute a social-welfare optimal $\varepsilon$-NE, using a robust MDP-based exploration mechanism to drive joint state-action coverage. Crucially, we introduce a Nash margin characterisation that enables principled reasoning about equilibrium existence: the framework either returns an $\varepsilon$-approximate NE whose social-welfare value is $\varepsilon$-close to optimal, or provides a sound certificate that no exact NE exists. Under a minimum reachability condition $p_{\mathrm{reach}}>0$ over relevant state-action pairs, the algorithm terminates after a polynomial number of trajectory samples, with sample complexity $\widetilde{O}\left( {R_{\max}^2 H^4 |S|^2 |A| / (p_{\mathrm{reach}} \varepsilon^2)} \right)$. Empirical results on benchmark CSGs demonstrate near-optimal performance, correct handling of equilibrium (non-)existence, and sample complexity consistent with theory.
Temporal integration gives continuous-time recurrent networks memory, but in deep stacks it also delays bottom-up signals and attenuates top-down errors. We develop Recursive Quadrature Filters (RQFs), biologically motivated complex-valued temporal filters that are a special case of diagonal state-space models (SSMs), and ask whether this failure mode can be addressed by making each layer's bottom-up input prospective. Starting from an energy model, we derive the RQF dynamics and show that each RQF is a band-pass filter whose learnable parameters control its tuning frequency and bandwidth. We then make each layer's bottom-up input prospective using a parameter-free two-tap update that leaves the recurrent transition and parallel scan unchanged. We extend this correction to general diagonal SSMs and show that it mitigates depth-dependent gradient attenuation when temporal gradients are truncated, i.e., spatial-only backpropagation. We evaluate the intervention in RQFs, S5, and ORGaNICs (a nonlinear gated RNN) trained using full backpropagation through time (BPTT) and spatial-only backpropagation. Under full BPTT, prospective variants match or outperform their non-prospective controls in every model and configuration. A non-residual width-32 six-layer RQF reaches 96.09% accuracy on raw-audio Speech Commands with 31.9k parameters; a width-64 six-layer RQF reaches 83.56% on the 16,384-step Path-X task. These results identify RQFs as a parameter-efficient recurrent substrate and prospective-input coding as an input-side correction for deep continuous-time recurrent networks.
Shivang Rawat, Mirko Morello, Flaviano Morone et al.· 0 citations
We introduce an uncoupled learning algorithm which, when employed by all players of an arbitrary $N$-player normal form game with up to $K$ actions per player, guarantees $O(N^3\log^2 K)$ individual regret, uniformly over the horizon of play. The proposed algorithm - which we call higher-order optimism with discounting (HOOD) is a variant of optimistic follow-the-regularized-leader (OptFTRL) that combines a discounted $(N+1)$-th order predictor with entropic regularization over a suitable"lifting"of the game's strategy space. This combination of ingredients is purposefully designed to dampen large oscillations of the induced sequence of play in a controlled manner, removing in this way a key stumbling block of previous attempts to achieve constant regret in general games. Our approach bears several striking similarities to the concurrent - and completely independent - work of Liu, Farina, and Ozdaglar (arXiv:2608.31166), who very recently derived an $O(N^{21}\log^{4} K)$ regret bound through the use of higher-order optimism and an exponential moving average estimator.
Omar Abbadi, Rida Laraki, Panayotis Mertikopoulos· 0 citations
Blackwell's 4-bit floating-point (FP4) tensor cores do not automatically make attention faster because softmax conversion and on-chip dependencies dominate once its matrix products shrink. We address this with \emph{Direct-P} for noncausal inference and a causal path that passes the forward quantization directly into backward. Direct-P maps scores directly to FP4 probabilities and reaches up to 2.13$\times$ the bfloat16 (BF16) forward throughput on an NVIDIA GB200. The causal path reconstructs probabilities from saved quantized queries and keys and uses 8-bit floating-point (FP8) gradient operands, accelerating a complete single-GPU 8-billion-parameter update by up to 1.14$\times$. Matched distributed training retains FP8 probabilities and values; every tested MXFP4 probability/value training trajectory diverges.
A weeklong summer workshop brought higher education faculty to campus to explore how AI and machine learning materials can be adapted for their classrooms.
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.
MIT News · Artificial Intelligence· news.mit.eduAug 24, 2026
