We study Latent Recurrent Transformer (LRT), a lightweight augmentation of autoregressive transformers that reuses a high-level source-layer hidden state from the previous token as recurrent memory for the next token. Because this state is already computed during ordinary decoding, LRT introduces a cross-token, cross-layer latent pathway while preserving the standard attention mechanism, KV-cache interface, and one model forward per generated token. To pretrain this recurrence without sequentially unrolling the full sequence, we introduce interleaved parallel training: one full-sequence initialization forward constructs a shared buffer, followed by sequential refinement of disjoint position subsets with parallel computation within each subset. This provides every token with recurrent-memory-aware supervision at approximately 2x ideal token compute. Across 1.3B- and 2.1B-parameter nanochat-style backbones and a wide range of training budgets, LRT improves both BPB and CORE under matched effective compute. Additionally, LRT outperforms two-forward PonderLM-2 and matches a three-loop Transformer in BPB, while retaining one-forward-per-token decoding with 9% latency overhead over the standard Transformer.
Zeyi Huang, Xuehai He, LiLiang Ren et al.· 0 citations
Developing constitutive models that capture how materials deform under load traditionally requires years of specialized expertise in continuum mechanics, machine learning, and scientific programming. Large language models (LLMs) have recently been shown to lower this barrier by generating constitutive models on demand, but existing single-agent pipelines lack systematic checks that the resulting models respect fundamental physical laws. To close this gap, we introduce the first multi-agent LLM-driven approach for constitutive model generation: a Creator agent proposes a model tailored to the data, while an Inspector agent critically audits each proposal against nine physical constraints and returns it for refinement whenever a violation is detected. We demonstrate this concept with constitutive artificial neural networks (CANNs) and benchmark it on brain tissue and rubber as isotropic materials, and on porcine skin tissue as a transversely isotropic material with a preferred fiber direction, using two different LLM backbones (Claude Opus 4.7 and Kimi K2.5). Whether a generated model satisfies the physical constraints is assessed numerically, by probing each constraint across a broad sample of deformation states, rotations, and perturbation directions. Adding the Inspector raises the share of exported models that pass all these checks from 90\% to 95\% for Opus and from 47\% to 60\% for Kimi. In addition, the generated models are on par with or even surpass expert-designed models in accuracy, extrapolate reliably beyond the training data, and generalize remarkably well to unseen loading paths. Separating generation from inspection thus turns LLM-driven constitutive modeling into a substantially more trustworthy process. The paradigm is deliberately technique-agnostic...
Marius Tacke, Matthias Busch, Kian Abdolazizi et al.· 0 citations
Recent progress in large language models has led to the emergence of reasoning models, which have shown strong performance on complex tasks through specialized fine-tuning procedures. While these methods reliably improve pass@1 accuracy, prior works have observed that they show a coverage shrinkage behavior, where pass@k degrades relative to the base model. In this paper, we investigate the cause of reasoning shrinkage under SFT-based post-training. We hypothesize that this behavior is driven by properties of the fine-tuning data, specifically related to decision points or "forks in the road" scenarios where model encounters indecipherable patterns with multiple valid reasoning paths. To test this hypothesis, we design controlled case studies that simulate such decision-point settings, spanning indecipherable nodes in graph branching, and reasoning modes. By tracking post-training dynamics in these settings, we find that the shrinkage phenomenon is tightly correlated with the prevalence of decision-point scenarios in the training data. We also demonstrate that this shrinkage behavior can be partially mitigated through targeted data synthesis design of decision-points and a more systematic diversity-encouraging decoding mechanism. Our findings identify data-centric factors as a key driver of shrinkage in reasoning models and highlight diversity-aware designs as an effective lever for controlling it. (Data and code for reproducing our experiments are available at https://github.com/psunlpgroup/reasoning_forks )
We generalise the reparameterization trick (RT) applied in variational autoencoders (VAEs) letting these have latent spaces of non-trivial topology - i.e. that of base manifolds covered with other ones, on which some technique for RT is available. That is possible since covering maps are measurable - moreover, this allows to establish an inequality on KL-divergence between pushforward (PF) densities on the base latent manifold, bounding it with KL-divergence between pullbacks on the cover, in some cases making the KL-term of VAE's ELBO analytically tractable, despite the topological non-triviality of the supporting latent manifold. Our development follows a route close but somewhat alternative to reparameterization on Lie groups, the latest proposal for which is to reparameterize PFs of normal densities from the Lie algebra - "through" the exponential map, seen by us as a particular case of what we propose to call reparameterization via covering (RVC). We demonstrate the working of our approach by constructing a VAE with the latent space of Klein bottle (not a Lie group) topology, which we call KleinVAE, successfully learning an appropriate artificial dataset. We discuss potential applicability of such topology-informed generative models as weight priors in Bayesian learning, particularly for convolutional vision models, where said manifold was peculiarly shown to have some relevance.
Maxim Beketov, Pavel Snopov· 0 citations
Reach audiences
Advertise in front of researchers, engineers, and readers.
Machine learning models can achieve high predictive accuracy in hydrological applications but often lack physical interpretability. The Mass-Conserving Perceptron (MCP) provides a physics-aware artificial intelligence (AI) framework that enforces conservation principles while allowing hydrological process relationships to be learned from data. In this study, we investigate how progressively embedding physically meaningful representations of hydrological processes within a single MCP storage unit improves predictive skill and interpretability in rainfall-runoff modeling. Starting from a minimal MCP formulation, we sequentially introduce bounded soil storage, state-dependent conductivity, variable porosity, infiltration capacity, surface ponding, vertical drainage, and nonlinear water-table dynamics. The resulting hierarchy of process-aware MCP models is evaluated across 15 catchments spanning five hydroclimatic regions of the continental United States using daily streamflow prediction as the target. Results show that progressively augmenting the internal physical structure of the MCP unit generally improves predictive performance. The influence of these process representations is strongly hydroclimate dependent: vertical drainage substantially improves model skill in arid and snow-dominated basins but reduces performance in rainfall-dominated regions, while surface ponding has comparatively small effects. The best-performing MCP configurations approach the predictive skill of a Long Short-Term Memory benchmark while maintaining explicit physical interpretability. These results demonstrate that embedding hydrological process constraints within AI architectures provides a promising pathway toward interpretable and process-aware rainfall-runoff modeling.
Mohammad A. Farmani, Hoshin V. Gupta, Ali Behrangi et al.· 0 citations
Uncertainty quantification for partial differential equations is traditionally grounded in discretization theory, where solution error is controlled via mesh/grid refinement. Physics-informed neural networks fundamentally depart from this paradigm: they approximate solutions by minimizing residual losses at collocation points, introducing new sources of error arising from optimization, sampling, representation, and overfitting. As a result, the generalization error in the solution space remains an open problem. Our main theoretical contribution establishes generalization bounds that connect residual control to solution-space error. We prove that when neural approximations lie in a compact subset of the solution space, vanishing residual error guarantees convergence to the true solution. We derive deterministic and probabilistic convergence results and provide certified generalization bounds translating residual, boundary, and initial errors into explicit solution error guarantees.
Amartya Mukherjee, Maxwell Fitzsimmons, David C. Del Rey Fern\'andez et al.· 0 citations
The adaptive moment estimation (Adam) optimizer proposed by Kingma & Ba (2014) is presumably the most popular stochastic gradient descent (SGD) optimization method for the training of deep neural networks (DNNs) in artificial intelligence (AI) systems. Despite its groundbreaking success in the training of AI systems, it still remains an open research problem to provide a complete error analysis of Adam, not only for optimizing DNNs but even when applied to strongly convex stochastic optimization problems (SOPs). Previous error analysis results for strongly convex SOPs in the literature provide conditional convergence analyses that rely on the assumption that Adam does not diverge to infinity but remains uniformly bounded. It is the key contribution of this work to establish uniform a priori bounds for Adam and, thereby, to provide -- for the first time -- an unconditional error analysis for Adam for a large class of strongly convex SOPs.
The shock response spectrum (SRS) is widely used to characterize the response of single-degree-of-freedom (SDOF) systems to transient accelerations. Because the mapping from acceleration time history to SRS is nonlinear and many-to-one, reconstructing time-domain signals from a target spectrum is inherently ill-posed. Conventional approaches address this problem through iterative optimization, typically representing signals as sums of exponentially decayed sinusoids, but these methods are computationally expensive and constrained by predefined basis functions.
We propose a conditional variational autoencoder (CVAE) that learns a data-driven inverse mapping from SRS to acceleration time series. Once trained, the model generates signals consistent with prescribed target spectra without requiring iterative optimization. Experiments demonstrate improved spectral fidelity relative to classical techniques, strong generalization to unseen spectra, and inference speeds three to six orders of magnitude faster. These results establish deep generative modeling as a scalable and efficient approach for inverse SRS reconstruction.
Adam Watts (Los Alamos National Laboratory), Andrew Jeon (Los Alamos National Laboratory), Destry Newton (Los Alamos National Laboratory) et al.· 0 citations
Entity alignment (EA) is critical for knowledge graph (KG) fusion. Existing EA models lack transferability and are incapable of aligning unseen KGs without retraining. While using graph foundation models (GFMs) offer a solution, we find that directly adapting GFMs to EA remains largely ineffective. This stems from a critical "reasoning horizon gap": unlike link prediction in GFMs, EA necessitates capturing long-range dependencies across sparse and heterogeneous KG structuresTo address this challenge, we propose a EA foundation model driven by a parallel encoding strategy. We utilize seed EA pairs as local anchors to guide the information flow, initializing and encoding two parallel streams simultaneously. This facilitates anchor-conditioned message passing and significantly shortens the inference trajectory by leveraging local structural proximity instead of global search. Additionally, we incorporate a merged relation graph to model global dependencies and a learnable interaction module for precise matching. Extensive experiments verify the effectiveness of our framework, highlighting its strong generalizability to unseen KGs.
Yuanning Cui, Zequn Sun, Wei Hu et al.· 0 citations
Optimizer design plays a central role in efficient language model pretraining, directly affecting optimization dynamics, convergence speed, and compute cost under fixed training budgets. Muon has emerged as a strong optimizer by orthogonalizing momentum updates, yielding a matrix-valued analogue of sign-based normalization. However, unlike Adam-style methods, Muon does not explicitly incorporate gradient-variance information into its updates. Motivated by Adam's variance-adaptive interpretation, we propose Muon-NSR and Muon-VS, two variance-adaptive Muon variants for language model pretraining. Muon-NSR applies noise-to-signal ratio (NSR) modulation before Newton--Schulz orthogonalization, whereas Muon-VS uses variance scaling (VS) without introducing any additional hyperparameters beyond those of Muon. Both methods preserve Muon's spectral normalization structure while requiring only one additional variance buffer. Experiments on Llama-style and GPT-2 pretraining across model scales from 125M to 1.2B parameters show that our methods improve over well-tuned Muon baselines and remain competitive with representative adaptive Muon-family baselines. On Llama-1.2B, Muon-VS achieves a 1.33$\times$ step-to-target speedup over a well-tuned Muon baseline, with Muon's final validation loss as the target. These results indicate that variance-adaptive modulation is a simple and effective mechanism for improving Muon-style optimizers in language model pretraining.
Sampling from unnormalized probability densities is a pervasive challenge across the computational and physical sciences. Diffusion models provide a powerful generative framework for this task, but their success relies on accurately estimating the score of the perturbed target distribution. Current approaches face a dichotomy between two standard estimation methods: the Denoising Score Identity (DSI) requires data samples and exhibits high variance at low noise levels, whereas the Target Score Identity (TSI) relies on the energy function and suffers from diverging variance at high noise levels. In this work, we reconcile both approaches by introducing the Control Variate Score Identity (CVSI), an unbiased estimator with an analytically optimal, state- and time-dependent control coefficient that theoretically minimizes variance over the entire diffusion process. CVSI serves as a robust plug-in estimator that significantly enhances performance and efficiency in data-free sampler learning and training-free diffusion sampling. These gains scale to complex, high-dimensional energy-based models.
Khaled Kahouli, Romuald Elie, Klaus-Robert M\"uller et al.· 0 citations
As organizations increasingly deploy LLMs in sensitive domains such as legal, financial, and medical settings, ensuring alignment with internal organizational policies has become a priority. Existing content moderation frameworks remain largely confined to the safety domain and lack the robustness to capture nuanced organizational policies. LLM-as-a-judge and fine-tuning approaches, though flexible, introduce significant latency and training cost. To address these limitations, we frame policy violation detection as an out-of-distribution (OOD) problem in the model's activation space. We propose a training-free method that operates directly on the LLM internal representations, leveraging prior evidence that decision-relevant information is encoded within them. Inspired by whitening techniques, we derive policy-violation scores directly from normalized representations of LLM hidden activations. Our method requires only the policy text and a small number of illustrative samples, making it lightweight and easily deployable. We extensively evaluate our method across multiple LLMs and challenging policy benchmarks. It achieves up to 86.0% F1, outperforming both fine-tuned and LLM-as-a-judge baselines while requiring substantially less computation. Our code is publicly available at: https://github.com/FujitsuResearch/LLM-policy-violation-detection
Oren Rachmil, Avishag Shapira, Roy Betser et al.· 0 citations
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
A new method for surgically removing training examples from a model reveals that as datasets grow, the link between what a model learns and what it produces dissolves.
