#01Aug 13, 2026
cond-mat.stat-mech
Equivariant learning of a transferable three-dimensional classical density functional
Bingqing Cheng
Liquids exhibit collective behavior that depends sensitively on thermodynamic conditions, interfaces and confinement, yet predicting each new state commonly requires a separate atomistic simulation. Classical density functional theory offers a reusable variational description, but its central excess free-energy functional is generally unknown, and learned approximations have largely remained restricted to planar or lower-dimensional settings. Here we show that this functional can be learned directly from fully three-dimensional equilibrium density fields while preserving spatial symmetry and variational consistency, without free-energy or chemical-potential labels. A single learned functional transfers across temperatures, system sizes and statistical ensembles, and recovers structure factors, the equation of state, liquid--vapor coexistence and interfacial broadening, none of which are used as training targets. Applied to complex three-dimensional geometries, it predicts the non-monotonic force associated with formation and rupture of a solvent-depleted bridge between colloids and adsorption in an interconnected gyroid pore. These results demonstrate that equilibrium density data can be converted into a transferable thermodynamic generator connecting microscopic liquid structure to response, phase behavior and collective phenomena.
#02Aug 13, 2026
cs.LG
Intern-S2-Preview: Scientific Agentic Foundation Model
Lei Bai, Jiaqi Cao, Chiyu Chen and 122 more
Scientific discovery increasingly requires AI systems that can reason over scientific evidence of heterogeneous modalities, interact with scientific tools and environments, and sustain progress across long task horizons. We present Intern-S2-Preview, a series of scientific agentic foundation models designed to support multimodal scientific understanding, reasoning, generation, and long-horizon tasks. The training pipeline begins with scientific multimodal pre-training over rendered scientific documents, interleaved image-text data, and diverse scientific corpora. Starting from the pretrained checkpoint, we apply a unified post-training pipeline consisting of supervised fine-tuning, scalable multi-task reinforcement learning (RL), black- and white-box agentic RL, and on-policy distillation. This pipeline is supported by practical techniques that improve rollout and training stability and efficiency, including partial rollout with off-policy correction, adaptive length regularization, online speculative decoding, robust multi-task optimization, and trace-aware experience assembly for agentic tasks. At the architecture level, Intern-S2-Preview-397B extends time series modelling from efficient long-sequence understanding to numerical forecasting, while Memory Decoder is studied as a separate memory-augmented path for rapid scientific specialization without modifying the frozen 397B backbone. Evaluations across scientific, multimodal, agentic, and general-purpose benchmarks show that Intern-S2-Preview-397B achieves competitive or leading results in multiple settings. The time series modules improve scientific signal understanding and forecasting on SciTS, while the separate Intern-MemDec-4B extension improves the Biology-Instructions average score from 56.92 to 60.32 without modifying the frozen 397B backbone.
#03Aug 13, 2026
cs.RO
HumanTracker: Towards Comprehensive and Human-Aligned Motion Tracking Benchmark
Dairu Liu, Zekun Qi, Jiayu Zeng and 11 more
Humanoid motion tracking is central to teleoperation and whole-body imitation, yet evaluation often disagrees with what people perceive in videos. Kinematic errors average per-frame pose differences but miss the physical artifacts that matter most, particularly unstable support and incorrect contacts such as foot skating and mistimed touch-downs. Meanwhile, widely used test suites are small and lack the diversity needed to stress contact-rich, long-horizon behaviors. We introduce HumanTracker to make humanoid tracking evaluation both perceptually aligned and scalable. The HumanTracker benchmark contains approximately 153 hours of optical motion trajectories from multiple professional performers, organized into four motion families with text labels for fine-grained diagnosis. We further propose HumanScore, a preference-aligned metric trained on 12K motion pairs containing 24K motions. Across representative state-of-the-art trackers, HumanScore better predicts human preferences and reveals contact and stability failures that kinematic metrics often miss.
#04Aug 13, 2026
cs.LG
DARTree: Speculative Diffusion Decoding with Autoregressive Draft Trees
Tianyi Li, Yaxin Luo, Xinyi Shang and 1 more
Speculative decoding losslessly accelerates autoregressive language models by verifying multiple draft tokens in parallel. Diffusion-based drafters further reduce proposal latency by predicting an entire token block in parallel, but their position-wise distributions are marginal rather than conditioned on tokens selected along each draft path. Existing recurrent correction incorporates causal information along a single draft chain, whereas diffusion-based tree construction broadens candidate coverage without carrying this correction along individual branches. We introduce DARTree, a training-free speculative decoding method that extends a pretrained AR correction head from chains to trees. DARTree first constructs a fixed-width candidate tree by expanding and scoring all nodes at each depth in a single batch, and then only applies best-first pruning to select the verification tree, decoupling AR-head inference from sequential heap operations. Across seven math, code, and chat benchmarks, DARTree achieves the highest average acceptance length and speedup in all four model--temperature configurations, accepting up to 12.97 tokens per verification round, 98.6\% more than DFlash and 27.9\% more than Domino in the same setting, and reaching up to 9.73$\times$ lossless speedup over locally measured autoregressive decoding.
#05Aug 13, 2026
math.ST
On the Structural Limits of Machine Learning Decision Systems: An Information-Theoretic, Interaction-Based, and Stochastic-Dynamical Perspective
Nestor R. Barraza, Gabriel Pena
Machine learning procedures are commonly evaluated in terms of predictive accuracy and computational efficiency. However, their achievable performance is fundamentally constrained by structural properties of the underlying data-generating process, which are formalized in terms of informational bounds. In this work we examine intrinsic limits of data-driven decision systems from an information-theoretic and interaction-based perspective. We analyze minimal achievable error in classification through Fano-type bounds and precision limits in parametric estimation via the Cramér-Rao inequality, emphasizing that such limits depend on the underlying model rather than on algorithmic sophistication alone. We further discuss how implicit assumptions, such as independence, ergodicity, and distributional stability, affect the validity of inferential procedures. Building on interaction-based modeling principles, we review typical frameworks such as Markov Random Fields and potential based representations for encoding dependence mechanisms. We also describe decision systems, including LLM-integrated agent architectures, as feedback-driven stochastic processes where state-dependent dynamics may induce emergent macroscopic behavior. This perspective highlights the importance of having adequate models for the data as a prerequi- site for expanding predictive capability, and situates algorithmic learning within the informational limits imposed by the models.