Language Models (LMs) are increasingly used in applications where generated outputs must satisfy strict semantic or syntactic constraints. Existing approaches to constrained generation fall along a spectrum: greedy constrained decoding methods enforce validity during decoding but distort the LM's distribution, while rejection sampling (RS) preserves fidelity but wastes computation by discarding invalid outputs. Both extremes are problematic in domains such as program fuzzing, where both validity and diversity of samples are essential. We present Constrained Adaptive Rejection Sampling (CARS), an approach that strictly improves the sample-efficiency of RS without distributional distortion. CARS begins with unconstrained LM sampling and adaptively rules out constraint-violating continuations by recording them in a trie and subtracting their probability mass from future draws. This adaptive pruning ensures that prefixes proven invalid are never revisited, acceptance rates improve monotonically, and the resulting samples exactly follow the constrained distribution. In experiments on a variety of domains -- e.g., program fuzzing and molecular generation -- CARS consistently achieves higher efficiency -- measured in the number of LM forward passes per valid sample -- while also producing stronger sample diversity than both GCD and methods that approximate the LM's distribution.

Neural Information Processing Systems http://nips.cc/

The emergence of agent-based systems represents a significant advancement in artificial intelligence, with growing applications in automated data extraction. However, chemical information extraction remains a formidable challenge due to the inherent heterogeneity of chemical data. Current agent-based approaches, both general-purpose and domain-specific, exhibit limited performance in this domain. To address this gap, we present ChemX, a comprehensive collection of 10 manually curated and domain-expert-validated datasets focusing on nanomaterials and small molecules. These datasets are designed to rigorously evaluate and enhance automated extraction methodologies in chemistry. To demonstrate their utility, we conduct an extensive benchmarking study comparing existing state-of-the-art agentic systems such as ChatGPT Agent and chemical-specific data extraction agents. Additionally, we introduce our own single-agent approach that enables precise control over document preprocessing prior to extraction. We further evaluate the performance of modern baselines, such as GPT-5 and GPT-5 Thinking, to compare their capabilities with agentic approaches. Our empirical findings reveal persistent challenges in chemical information extraction, particularly in processing domain-specific terminology, complex tabular and schematic representations, and context-dependent ambiguities. The ChemX benchmark serves as a critical resource for advancing automated information extraction in chemistry, challenging the generalization capabilities of existing methods, and providing valuable insights into effective evaluation strategies.

We propose Cormorant, a rotationally covariant neural network architecture for learning the behavior and properties of complex many-body physical systems. We apply these networks to molecular systems with two goals: learning atomic potential energy surfaces for use in Molecular Dynamics simulations, and learning ground state properties of molecules calculated by Density Functional Theory. Some of the key features of our network are that (a) each neuron explicitly corresponds to a subset of atoms; (b) the activation of each neuron is covariant to rotations, ensuring that overall the network is fully rotationally invariant. Furthermore, the non-linearity in our network is based upon tensor products and the Clebsch-Gordan decomposition, allowing the network to operate entirely in Fourier space. Cormorant significantly outperforms competing algorithms in learning molecular Potential Energy Surfaces from conformational geometries in the MD-17 dataset, and is competitive with other methods at learning geometric, energetic, electronic, and thermodynamic properties of molecules on the GDB-9 dataset.

To address this, we leverage parametric modular structure to learn component-level surrogates, enabling cheaper high-fidelity simulation. We use a neural network to model the stored potential energy in a component given boundary conditions.

Researchers at Rice University have developed a soft robotic arm capable of performing complex tasks such as navigating around an obstacle or hitting a ball, guided and powered remotely by laser beams without any onboard electronics or wiring. The research could inform new ways to control implantable surgical devices or industrial machines that need to handle delicate objects. In a proof-of-concept study that integrates smart materials, machine learning and an optical control system, a team of Rice researchers led by materials scientist Hanyu Zhu used a light-patterning device to precisely induce motion in a robotic arm made from azobenzene liquid crystal elastomer a type of polymer that responds to light. According to the study published in Advanced Intelligent Systems, the new robotic system incorporates a neural network trained to predict the exact light pattern needed to create specific arm movements. This makes it easier for the robot to execute complex tasks without needing similarly complex input from an operator.

Artificial Intelligence algorithms are introduced in this work as a tool to predict the performance of new chemical compounds as alternative propellants for electric propulsion, focusing on predicting their ionisation characteristics and fragmentation patterns. The chemical properties and structure of the compounds are encoded using a chemical fingerprint, and the training datasets are extracted from the NIST WebBook. The AI-predicted ionisation energy and minimum appearance energy have a mean relative error of 6.87% and 7.99%, respectively, and a predicted ion mass with a 23.89% relative error. In the cases of full mass spectra due to electron ionisation, the predictions have a cosine similarity of 0.6395 and align with the top 10 most similar mass spectra in 78% of instances within a 30 Da range.

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges. In this work, we introduce AutoLabs, a self-correcting, multi-agent architecture designed to autonomously translate natural-language instructions into executable protocols for a high-throughput liquid handler. The system engages users in dialogue, decomposes experimental goals into discrete tasks for specialized agents, performs tool-assisted stoichiometric calculations, and iteratively self-corrects its output before generating a hardware-ready file. We present a comprehensive evaluation framework featuring five benchmark experiments of increasing complexity, from simple sample preparation to multi-plate timed syntheses. Through a systematic ablation study of 20 agent configurations, we assess the impact of reasoning capacity, architectural design (single- vs. multi-agent), tool use, and self-correction mechanisms. Our results demonstrate that agent reasoning capacity is the most critical factor for success, reducing quantitative errors in chemical amounts (nRMSE) by over 85% in complex tasks. When combined with a multi-agent architecture and iterative self-correction, AutoLabs achieves near-expert procedural accuracy (F1-score > 0.89) on challenging multi-step syntheses. These findings establish a clear blueprint for developing robust and trustworthy AI partners for autonomous laboratories, highlighting the synergistic effects of modular design, advanced reasoning, and self-correction to ensure both performance and reliability in high-stakes scientific applications. Code: https://github.com/pnnl/autolabs

Bridge models have recently been explored for speech enhancement tasks such as denoising, dereverberation, and super-resolution, while these efforts are typically confined to a single task or small-scale datasets, with constrained general speech restoration (GSR) capability at scale. In this work, we introduce VoiceBridge, a GSR system rooted in latent bridge models (LBMs), capable of reconstructing high-fidelity speech at full-band (\textit{i.e.,} 48~kHz) from various distortions. By compressing speech waveform into continuous latent representations, VoiceBridge models the~\textit{diverse LQ-to-HQ tasks} (namely, low-quality to high-quality) in GSR with~\textit{a single latent-to-latent generative process} backed by a scalable transformer architecture. To better inherit the advantages of bridge models from the data domain to the latent space, we present an energy-preserving variational autoencoder, enhancing the alignment between the waveform and latent space over varying energy levels. Furthermore, to address the difficulty of HQ reconstruction from distinctively different LQ priors, we propose a joint neural prior, uniformly alleviating the reconstruction burden of LBM. At last, considering the key requirement of GSR systems, human perceptual quality, a perceptually aware fine-tuning stage is designed to mitigate the cascading mismatch in generation while improving perceptual alignment. Extensive validation across in-domain and out-of-domain tasks and datasets (\textit{e.g.}, refining recent zero-shot speech and podcast generation results) demonstrates the superior performance of VoiceBridge. Demo samples can be visited at: https://VoiceBridge-demo.github.io/.

We present the AgriCruiser, an open-source over-the-row agricultural robot developed for low-cost deployment and rapid adaptation across diverse crops and row layouts. The chassis provides an adjustable track width of 1.42 m to 1.57 m, along with a ground clearance of 0.94 m. The AgriCruiser achieves compact pivot turns with radii of 0.71 m to 0.79 m, enabling efficient headland maneuvers. The platform is designed for the integration of the other subsystems, and in this study, a precision spraying system was implemented to assess its effectiveness in weed management. In twelve flax plots, a single robotic spray pass reduced total weed populations (pigweed and Venice mallow) by 24- to 42-fold compared to manual weeding in four flax plots, while also causing less crop damage. Mobility experiments conducted on concrete, asphalt, gravel, grass, and both wet and dry soil confirmed reliable traversal consistent with torque sizing. The complete chassis can be constructed from commodity T-slot extrusion with minimal machining, resulting in a bill of materials costing approximately $5,000 - $6,000, which enables replication and customization. The mentioned results demonstrate that low-cost, reconfigurable over-the-row robots can achieve effective weed management with reduced crop damage and labor requirements, while providing a versatile foundation for phenotyping, sensing, and other agriculture applications. Design files and implementation details are released to accelerate research and adoption of modular agricultural robotics.