Bias and stereotypes in language models can cause harm, especially in sensitive areas like content moderation and decision-making. This paper addresses bias and stereotype detection by exploring how jointly learning these tasks enhances model performance. We introduce StereoBias, a unique dataset labeled for bias and stereotype detection across five categories: religion, gender, socio-economic status, race, profession, and others, enabling a deeper study of their relationship. Our experiments compare encoder-only models and fine-tuned decoder-only models using QLoRA. While encoder-only models perform well, decoder-only models also show competitive results. Crucially, joint training on bias and stereotype detection significantly improves bias detection compared to training them separately. Additional experiments with sentiment analysis confirm that the improvements stem from the connection between bias and stereotypes, not multi-task learning alone. These findings highlight the value of leveraging stereotype information to build fairer and more effective AI systems.

Hybrid quantum-classical algorithms like the variational quantum eigensolver (VQE) show promise for quantum simulations on near-term quantum devices, but are often limited by complex objective functions and expensive optimization procedures. Here, we propose Flow-VQE, a generative framework leveraging conditional normalizing flows with parameterized quantum circuits to efficiently generate high-quality variational parameters. By embedding a generative model into the VQE optimization loop through preference-based training, Flow-VQE enables quantum gradient-free optimization and offers a systematic approach for parameter transfer, accelerating convergence across related problems through warm-started optimization. We compare Flow-VQE to a number of standard benchmarks through numerical simulations on molecular systems, including hydrogen chains, water, ammonia, and benzene. We find that Flow-VQE outperforms baseline optimization algorithms, achieving computational accuracy with fewer circuit evaluations (improvements range from modest to more than two orders of magnitude) and, when used to warm-start the optimization of new systems, accelerates subsequent fine-tuning by up to 50-fold compared with Hartree--Fock initialization. Therefore, we believe Flow-VQE can become a pragmatic and versatile paradigm for leveraging generative modeling to reduce the costs of variational quantum algorithms.

Large language models (LLMs) have enabled powerful advances in natural language understanding and generation. Yet their application to complex, real-world scientific workflows remain limited by challenges in memory, planning, and tool integration. Here, we introduce SciBORG (Scientific Bespoke Artificial Intelligence Agents Optimized for Research Goals), a modular agentic framework that allows LLM-based agents to autonomously plan, reason, and achieve robust and reliable domain-specific task execution. Agents are constructed dynamically from source code documentation and augmented with finite-state automata (FSA) memory, enabling persistent state tracking and context-aware decision-making. This approach eliminates the need for manual prompt engineering and allows for robust, scalable deployment across diverse applications via maintaining context across extended workflows and to recover from tool or execution failures. We validate SciBORG through integration with both physical and virtual hardware, such as microwave synthesizers for executing user-specified reactions, with context-aware decision making and demonstrate its use in autonomous multi-step bioassay retrieval from the PubChem database utilizing multi-step planning, reasoning, agent-to-agent communication and coordination for execution of exploratory tasks. Systematic benchmarking shows that SciBORG agents achieve reliable execution, adaptive planning, and interpretable state transitions. Our results show that memory and state awareness are critical enablers of agentic planning and reliability, offering a generalizable foundation for deploying AI agents in complex environments.

Open-endedness is an active field of research in the pursuit of capable Artificial General Intelligence (AGI), allowing models to pursue tasks of their own choosing. Simultaneously, recent advancements in Large Language Models (LLMs) such as GPT-4o [9] have allowed such models to be capable of interpreting image inputs. Implementations such as OMNI-EPIC [4] have made use of such features, providing an LLM with pixel data of an agent's POV to parse the environment and allow it to solve tasks. This paper proposes that providing these visual inputs to a model gives it greater ability to interpret spatial environments, and as such, can increase the number of tasks it can successfully perform, extending its open-ended potential. To this aim, this paper proposes VoyagerVision -- a multi-modal model capable of creating structures within Minecraft using screenshots as a form of visual feedback, building on the foundation of Voyager. VoyagerVision was capable of creating an average of 2.75 unique structures within fifty iterations of the system, as Voyager was incapable of this, it is an extension in an entirely new direction. Additionally, in a set of building unit tests VoyagerVision was successful in half of all attempts in flat worlds, with most failures arising in more complex structures. Project website is available at https://esmyth-dev.github.io/VoyagerVision.github.io/

With the increasing interest in robotic synthesis in the context of organic chemistry, the automated extraction of chemical procedures from literature is critical. However, this task remains challenging due to the inherent ambiguity of chemical language and the high cost of human annotation required for developing reliable computer-aided extraction protocols. Here, we present ChemActor, a fully fine-tuned large language model (LLM), as a chemical executor to convert between unstructured experimental procedures and structured action sequences. We propose a sequential LLM-generated data framework to address the challenges of insufficient and low-quality annotated data. This framework integrates a data selection module that selects data based on distribution divergence, with a general-purpose LLM, to generate machine-executable actions from a single molecule input. Additionally, we introduce a novel multi-round LLMs circle review metric, which reflects the model's advanced understanding of chemical experimental procedures. Extensive experiments on reaction-to-description (R2D) and description-to-action (D2A) tasks demonstrate that ChemActor, augmented by LLM-generated data, achieves state-of-the-art performance, outperforming the baseline model by 10%. The code is available at: https://github.com/Zhanghahah/ChemActor.

Context. The outer Milky Way has a lower metallicity than our solar neighbourhood, but still many molecules are detected in the region. Molecular line ratios can serve as probes to better understand the chemistry and physics in these regions. Aims. We use interpretable machine learning to study 9 different molecular ratios, helping us understand the forward connection between the physics of these environments and the carbon and oxygen chemistries. Methods. Using a large grid of astrochemical models generated using UCLCHEM, we study the properties of molecular clouds of low oxygen and carbon initial abundance. We first try to understand the line ratios using a classical analysis. We then move on to using interpretable machine learning, namely Shapley Additive Explanations (SHAP), to understand the higher order dependencies of the ratios over the entire parameter grid. Lastly we use the Uniform Manifold Approximation and Projection technique (UMAP) as a reduction method to create intuitive groupings of models. Results. We find that the parameter space is well covered by the line ratios, allowing us to investigate all input parameters. SHAP analysis shows that the temperature and density are the most important features, but the carbon and oxygen abundances are important in parts of the parameter space. Lastly, we find that we can group different types of ratios using UMAP. Conclusions. We show the chosen ratios are mostly sensitive to changes in the carbon initial abundance, together with the temperature and density. Especially the CN/HCN and HNC/HCN ratio are shown to be sensitive to the initial carbon abundance, making them excellent probes for this parameter. Out of the ratios, only CS/SO shows a sensitivity to the oxygen abundance.

With the growing demand for novel materials, machine learning-driven inverse design methods face significant challenges in reconciling the high-dimensional materials composition space with limited experimental data. Existing approaches suffer from two major limitations: (I) machine learning models often lack reliability in high-dimensional spaces, leading to prediction biases during the design process; (II) these models fail to effectively incorporate domain expert knowledge, limiting their capacity to support knowledge-guided inverse design. To address these challenges, we introduce AIMatDesign, a reinforcement learning framework that addresses these limitations by augmenting experimental data using difference-based algorithms to build a trusted experience pool, accelerating model convergence. To enhance model reliability, an automated refinement strategy guided by large language models (LLMs) dynamically corrects prediction inconsistencies, reinforcing alignment between reward signals and state value functions. Additionally, a knowledge-based reward function leverages expert domain rules to improve stability and efficiency during training. Our experiments demonstrate that AIMatDesign significantly surpasses traditional machine learning and reinforcement learning methods in discovery efficiency, convergence speed, and success rates. Among the numerous candidates proposed by AIMatDesign, experimental synthesis of representative Zr-based alloys yielded a top-performing BMG with 1.7GPa yield strength and 10.2\% elongation, closely matching predictions. Moreover, the framework accurately captured the trend of yield strength variation with composition, demonstrating its reliability and potential for closed-loop materials discovery.

Breakthroughs, discoveries, and DIY tips sent every weekday. A few years ago I upgraded from gas to induction. This sentence might confuse you. Gas stoves have a reputation as being the best, mostly because of marketing, so you might think I'm only saying I "upgraded" to induction because of environmental conviction. And I'll admit using less energy motivated the switch (I like saving money) but efficiency alone is not why I'm saying that induction is better.

The complex behavior of highly deformable mechanical metamaterials can substantially enhance the performance of soft robots. Metamaterials are rapidly emerging from electromagnetic, acoustic, or mechanical properties governed by structure rather than composition. Mechanical metamaterials, in particular, hav e been designed to show superior mechanical properties, such as ultrahigh stiffness and strength - to - weight ratio, or unusual properties, such as a negative Poisson's ratio and a negative coefficient of thermal expansion. Whereas earlier research focused on designing mechanical metamaterials with linear elastic responses, more recently, nonlinear large deformations and mechanical instabilities - typically associated with failure - have emerged as promising tools for new functionalities, including programmabl e shape transformations, tunable mechanical properties, and energy absorption (1). Ongoing advances in additive manufacturing technologies facilitate the fabrication of functional mechanical metamaterials with unprecedented complexity.

The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor manufacturing. To address this need, Meta FAIR presents a family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest training runs to date) by compiling data across multiple chemical domains, e.g. molecules, materials, and catalysts. We develop empirical scaling laws to help understand how to increase model capacity alongside dataset size to achieve the best accuracy. The UMA small and medium models utilize a novel architectural design we refer to as mixture of linear experts that enables increasing model capacity without sacrificing speed. For example, UMA-medium has 1.4B parameters but only ~50M active parameters per atomic structure. We evaluate UMA models on a diverse set of applications across multiple domains and find that, remarkably, a single model without any fine-tuning can perform similarly or better than specialized models. We are releasing the UMA code, weights, and associated data to accelerate computational workflows and enable the community to continue to build increasingly capable AI models.