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#machine learning Preprint Open access Sep 2026

TIGPO: Temporal Instance-Graph Policy Optimization for Long-Horizon LLM Agents

Graph-based policy optimization improves credit assignment for long-horizon LLM agents by organizing rollout trajectories into state-transition graphs. However, existing methods construct graphs independently within each policy update, discarding transitions discovered by earlier policies and limiting advantage estimation to small, batch-local rollout groups. We propose \emph{Temporal Instance-Graph Policy Optimization} (TIGPO), which extends graph-based credit assignment across policy updates. TIGPO maintains a persistent transition graph for each task, allowing valid transitions discovered by different policy versions to jointly determine credit for current rollouts. To actively reconnect current exploration with historical experience, TIGPO allocates a fixed rollout budget between Exploration slots for ordinary task sampling and Revisit slots for delayed reattempts of previously explored tasks. For each revisit, TIGPO pairs the current rollout group with its corresponding earlier Exploration group to construct a cross-temporal reference. The enlarged reference is designed to stabilize relative advantage estimation under small rollout groups, while comparison on the same task directly captures policy improvement across training stages. Historical transitions and scores serve only as structural and detached statistical references and are never replayed in the policy loss. Experiments on ALFWorld and WebShop demonstrate that TIGPO consistently outperforms prior group-based and graph-based policy optimization methods.

Jinwei Gan · 0 citations
#machine learning Preprint Open access Sep 2026

RecurTrace: Adaptive Latent Reasoning with Loop-Time Memory

Repeating a small block of middle layers increases a language model's effective inference depth without adding parameters or generating extra tokens, and recent work shows that this latent recurrence improves reasoning. However, two design choices limit these gains. Each iteration sees only the previous output and cannot directly access earlier computations. Moreover, a fixed loop count wastes depth on easy inputs while leaving hard ones with too little computation. We introduce RecurTrace, which addresses both limitations using the loop's own trajectory. Specifically, Loop Memory Attention lets each looped layer attend to its own states from previous iterations along the loop-time axis, so the model can revisit earlier computations instead of relying on the latest state alone. A halting head then reads the loop state and predicts whether to continue, with supervision from an oracle that identifies when additional depth still reduces loss. In a controlled MathQA comparison on the same looped backbone, RecurTrace achieves 56.9% accuracy with an average of 2.0 loops, exceeding the best fixed loop depth by 2.2 points at matched compute. By comparison, ACT and PonderNet collapse to one loop, and CALM reaches only 54.1% with 5.6 loops, while the stronger LoopUS-Conf and TaH-Mismatch baselines reach 55.3% at 3.2 loops and 55.7% at 2.1 loops. Finally, RecurTrace improves generation accuracy over same-budget fine-tuned baselines at 0.6B, 1.7B, 4B, and 8B, with the gain growing with model size from 0.6 to 3.4 points.

Yuxiang Wang, Kunyu Feng, Yingda Shen et al. · 0 citations
#machine learning Preprint Open access Sep 2026

SimpleDesign: A Joint Model for Protein Sequence and Structure Codesign

Proteins are fundamental to biological processes, with their function determined by the complex interplay between the amino acid sequence and the three-dimensional structure. Developing generative models capable of understanding this intrinsically multi-modal relationship is crucial for fields like drug discovery and protein engineering. Existing models often rely on a multi-stage training process where autoencoders that tokenize data into latent representations are trained in a first stage. Secondly, a generative model is trained on the latent representation of the autoencoder(s), i.e., generative modeling in a latent space. We hypothesize that this multi-stage training is not necessary to obtain performant co-design models and thus present SimpleDesign, an effective multi-modal protein design model trained directly in the data space. SimpleDesign leverages a single-stage end-to-end objective that combines discrete cross-entropy for sequences and a regression objective for structures. In order to effectively model the difference in sequence and structure modalities, we develop a Mixture-of-Transformer architecture that allows modality-specific processing while keeping global self-attention over both modalities. We train SimpleDesign on over 2M sequence-structure pairs achieving strong performance across co-design and unconditional sequence/structure generation benchmarks.

Jiarui Lu, Yuyang Wang, Yizhe Zhang et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Time Without Timesteps: Simulating Coupled Dynamical Systems via Self-Consistency

Numerical simulation of dynamical systems is usually organized as a causal march through time: each state is computed from the previous one. We explore a different formulation for coupled systems. For each subsystem type we train a neural surrogate mapping a full driving trajectory and initial condition directly to a full output trajectory; following classical waveform relaxation, coupled systems are assembled by enforcing self-consistency among these trajectories: simulation becomes a fixed-point problem over complete trajectories rather than a stepwise rollout. On coupled van der Pol oscillators and Hodgkin-Huxley neuron networks, sequential depth becomes the number of solver iterations: 4-10 Newton iterations where the reference integrator takes 1500 steps. The gradient likewise loses its time recursion: it becomes a linear system solved by GMRES at memory independent of solver depth. A single scalar measured from the learned operator, the spectral radius of its Jacobian, predicts in advance where the coupled solve will converge; past that boundary, unrolled backpropagation diverges and a Neumann adjoint fails, while the implicit gradient remains correct to 0.04%. We report where the approach succeeds and where surrogate error degrades it.

Liyu Zerihun, Mark Shinyoung Lee · 0 citations
#machine learning Preprint Open access Sep 2026

From Zero to Hero: An Open LLM Ecosystem for Armenian

Pretraining data for Armenian, a morphologically rich and low-resource language, is scarce, and no open Armenian LLM has been released with the data and recipe needed to reproduce it. To address this gap, we curate and release two datasets. ArmWeb is an extensively validated corpus of 4.37M Armenian news documents. ArmSTEM is a parallel English-Armenian collection of 373K math and science problems with step-by-step solutions, translated into Armenian and verified through both answer-preserving LLM judgment and human evaluation. Continued pretraining of Gemma-4-E4B on these datasets yields arm-gemma-e4b, which outperforms every existing open Armenian model as well as its unadapted base, and is the first open Armenian LLM with complete training data and recipe. Our ablations show that news-only continued pretraining improves fluency while eroding knowledge, a pattern we also observe in existing Armenian models, and that a small share of verified translated STEM data reverses the loss. We further find that the largest public Armenian corpora overlap web-derived evaluation panels heavily, including a train/test self-overlap inside FineWeb-2. We openly release all data, models, and code.

Erik Arakelyan, Khatun Avetisyan, Meri Davtyan et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Gradients Know What Outcomes Don't: Unlocking Reinforcement Learning for LLM Reasoning with Gradient-Aligned Rewards

Reinforcement learning from verifiable rewards (RLVR) drives chain-of-thought reasoning in large language models, yet its binary outcome reward cannot distinguish among correct trajectories. Existing dense reward alternatives, from surface heuristics to process reward models, either ignore the expert solutions already present in training corpora or require expensive offline annotation. We propose Gradient-Aligned Reward (GAR), which operates in the policy's own gradient space: truncated backpropagation through the output projection layer extracts a compact gradient vector for each rollout, and cosine similarity with an expert-anchor gradient yields a dense, reasoning-aware reward with less than 9% wall-clock overhead. We prove that this cosine admits a multiplicative decomposition into prediction-error and activation-pattern factors, providing a concrete characterization of what the alignment signal measures. On Qwen3-4B and Qwen3-8B, GAR consistently improves over GRPO and other baselines on competition-level math benchmarks and transfers to GPQA Diamond and MMLU-Pro without domain-specific data. Code and data are available at https://github.com/LQgdwind/GAR.

Leqi Zheng, Jinbo Su, Fang Niu et al. · 0 citations
#machine learning Preprint Open access Sep 2026

A Large Open Multi-Energy Corpus of Soil Compaction Tests, with Machine-Learning Baselines

Every engineered fill is specified by a maximum dry density and an optimum moisture content. Each determination needs a full Proctor test. Published correlations rest on one to four hundred specimens, usually from one laboratory at one compactive energy, and are seldom released. This paper releases a corpus without those limits. It holds 2,854 laboratory compaction tests from six public sources, across 162 provenance groups and four Proctor energy levels, with fines from 1.5 to 100%. Every record is audited to the Proctor method its source names, and no energy is inferred. Screening on the zero-air-voids condition removed 11.8% of harmonised records, and 5.7% of those with a measured specific gravity. A material share of published compaction data is physically impossible. The optimum degree of saturation over the corpus is 0.815 at a coefficient of variation of 11%. That is a baseline, not a constant. Both parameters are then estimated from one classification suite and the compaction standard. A tabular foundation model reaches R2 0.824 for density and 0.784 for water content under random folds. It reaches 0.727 and 0.696 with folds drawn around provenance, and 0.520 and 0.614 with a whole source held out. Compactive energy is negligible marginally yet decisive conditionally. Density on the 66 modified-Proctor records is predicted at R2 0.740 with it and -0.651 without. Symbolic regression yields closed forms coupled through a phase relation. No predicted pair can then exceed the zero-air-voids line. The predictions are for screening, not acceptance.

Sompote Youwai, Chana Phutthananon, Warat Kongkitkul · 0 citations
#machine learning Preprint Sep 2026

DE-Venus: A Data-Efficient RLVR Framework for Large Language Models

Reinforcement learning with verifiable rewards (RLVR) improves large language model reasoning, but its practical scaling is constrained by expensive on-policy rollouts and the cost of obtaining reliable targets at scale. Existing methods address sample selection, incomplete supervision, or noisy labels separately, often entangling supervision logic with distributed training and hindering controlled comparison and reuse. We present DE-Venus, a unified framework for data-efficient RLVR that treats supervision as evolving state across data preparation and policy optimization. It organizes this lifecycle into three modules: Active Data Selection allocates training and annotation budgets; Weak Supervision Construction derives learning signals from unlabeled examples; and Training-Time Supervision Refinement filters or corrects unreliable supervision. DE-Venus supports seven representative methods and a data-selection pipeline by expressing method-specific decisions as offline dataset transitions or online transformations of targets, rewards, batches, and advantages while preserving verl's distributed execution contracts. Across public benchmarks and three business scenarios, separate configurations preserve or improve model quality with only 10% of labels or as little as 13% of relevant data; selected business configurations also reduce observed convergence steps by 63%--75%. DE-Venus thus reduces annotation and training costs without sacrificing scalable RL execution.

Shen-Zhi Yang, Guang-Cheng Zhu, Kai Tang et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Risk and Anomaly Identification for Distribution Network Optimal Operation Based on Reinforcement Learning and Uncertainty Quantification

Reliable operation of modern distribution networks requires timely identification of operational risks and anomalous events under pervasive uncertainty. In practice, operators must identify risks that are inherent in stochastic yet in-distribution conditions, and anomalies that correspond to out-of-distribution behaviors such as unusual load patterns, extreme weather or cyber-physical attacks. This paper addresses this joint risk and anomaly identification problem for optimal distribution network operation and proposes a deep reinforcement learning framework that is explicitly uncertainty aware. We integrate distributional and Bayesian deep reinforcement learning to realize a second- order uncertainty quantification scheme that decomposes total uncertainty into aleatoric and epistemic components, which are respectively used to characterize inherent risk and out-of- distribution anomalies. The resulting epistemic estimates drive both exploration during training and out-of-distribution detec- tion with fallback control during deployment, whereas aleatoric estimates are used to characterize intrinsic operational risk. Simulation results demonstrate the performance of our DRL agent and the effectiveness of the uncertainty quantification.

Ziqi Zhang · 0 citations
#machine learning Preprint Open access Sep 2026

Geometry-Aware Graph Construction via Adaptive Spectral Bandwidth Control

Kernelized graph methods - spectral clustering, diffusion maps, and sparse kernel -regression graphs - that use Gaussian kernels depend on the choice of Gaussian bandwidth sigma, which governs the spectral character of the local kernel operator. When sigma is too small, the kernel overestimates local complexity and treats each sample as an independent direction; when sigma is too large, the kernel collapses multiple directions together, the condition number diverges, and all geometric discrimination is lost. We propose a choice of scale to make the spectral complexity of the kernel consistent with the intrinsic complexity of the underlying manifold. We propose a per-node bandwidth criterion that operationalizes this principle by jointly matching the kernel's effective rank to the local intrinsic dimension estimated via minimum spanning tree, anchoring the search in the manifold-consistent log-log scaling regime. We evaluate SSL embeddings from six encoders on CIFAR-100, showing that adaptive bandwidth consistently improves leave-one-out (LOO) classification and label propagation (LP) accuracy over fixed-bandwidth methods and competing adaptive methods.

Ecem Bozkurt, Antonio Ortega · 0 citations
#machine learning Preprint Open access Sep 2026

Latent Energy Action Planning with World Models

Latent world models support efficient model predictive control from high-dimensional observations, yet optimizing a single learned latent objective can favor action sequences whose decoder-predicted terminal descriptor does not match the goal descriptor. We introduce Latent Energy Action Planning (LEAP), which treats the complete action horizon as a differentiable variable and optimizes it through a frozen LeWorldModel (LeWM). LEAP couples terminal latent goal matching with a terminal-window state energy. Low energy requires the predicted terminal latent to agree with the goal latent and the decoder-predicted terminal descriptor to agree with the goal descriptor. A frozen goal-conditioned proposal initializes the search, a quasi-Newton solver refines actions through the autoregressive rollout, and post-optimization projection enforces the admissible action range. Across four control domains using the officially released LeWM checkpoints, the complete LEAP planning system raises mean success from 77.5% for LeWM planned with the cross-entropy method (LeWM+CEM) to 94.8% under a matched protocol, a 17.3-percentage-point improvement, while retaining the frozen LeWM representation and predictor.

Phu Pham, Aniket Bera · 0 citations
#machine learning Preprint Open access Sep 2026

Selective Hypergraph Refinement for Frozen Graph Clustering

Existing graph-clustering methods typically improve clustering performance by optimizing model parameters and node representations. Effective means of further improving the clustering results of an already trained and frozen model, however, remain limited. We study post-processing for frozen graph clustering. After checkpoint fixation, the procedure uses no labels and updates neither model parameters, node representations, nor the original graph structure. Instead, it exploits an attribute hypergraph to supplement higher-order relations that ordinary graphs cannot readily express, thereby refining existing cluster assignments. Because global hypergraph refinement can yield both performance gains and erroneous updates, we propose Selective Hypergraph Refinement (SHR). The method generates candidate residual directions from the hypergraph and evaluates their reliability using graph structure, node attributes, and matched-null evidence. It updates only nodes with sufficient support and otherwise retains their original assignments. Further analysis shows that whether a node changes cluster is jointly governed by its native assignment gap and the directional strength of the refinement. In a controlled common-suite evaluation, 13 of 15 backbone-dataset cells had a positive mean macro gain, one produced exact no-action, and one was negative. The cell-equal macro gain was 0.066 pp (95% bootstrap CI, [0.030, 0.107] pp), while only 0.209% of hard assignments changed on average. A broader 15-combination native-interface evaluation yielded a macro gain of 0.137 pp at a mean change ratio of 0.375%. These results indicate that frozen clustering outputs retain a limited but measurable refinement space after training. The effect is heterogeneous across backbone-dataset pairs, and broader coverage also increases exposure to negative transfer.

Zimo Si · 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.