Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann Generators tackle this problem by pairing a generative model, capable of exact likelihood computation, with importance sampling to obtain consistent samples under the target distribution. Current Boltzmann Generators primarily use continuous normalizing flows (CNFs) trained with flow matching for efficient training of powerful models. However, likelihood calculation for these models is extremely costly, requiring thousands of function evaluations per sample, severely limiting their adoption. In this work, we propose Few-step Accurate Likelihoods for Continuous Flows (FALCON), a method which allows for few-step sampling with a likelihood accurate enough for importance sampling applications by introducing a hybrid training objective that encourages invertibility. We show FALCON outperforms state-of-the-art normalizing flow models for molecular Boltzmann sampling and is \emph{two orders of magnitude faster} than the equivalently performing CNF model.
Although artificial intelligence (AI) has become increasingly smart, its wisdom has not kept pace. In this opinion article, we examine what is known about human wisdom and sketch a vision of its AI counterpart. We introduce human wisdom as strategies for solving intractable problems-those outside the scope of analytic techniques-including both 'object-level' strategies, such as heuristics (for managing problems), and 'metacognitive' strategies, such as intellectual humility, perspective-taking, or context adaptability (for managing object-level task fit). We argue that AI systems particularly struggle with this type of metacognition. Wise metacognition would lead to AI that is more robust to novel environments, explainable to users, cooperative with others, and safer by risking fewer misaligned goals with human users. We discuss how wise AI might be benchmarked, trained, and implemented.
We address the challenge of automatically generating diverse attack prompts for large language models (LLMs) that elicit harmful behaviors (e.g., insults, sexual content) and are used for safety fine-tuning. While several prior approaches train LLMs with reinforcement learning (RL) to generate such prompts using only a toxicity classifier as a reward, existing diversity-seeking RL methods often collapse to limited modes: once high-reward prompts are found, exploration of new regions is discouraged. Inspired by the active learning paradigm that encourages adaptive exploration, we introduce \textbf{Active Attacks}, a novel RL-based red-teaming algorithm that adapts its attacks as the victim evolves. By periodically safety fine-tuning the victim LLM with collected attack prompts, we naturally induce an \emph{easy-to-hard exploration curriculum}, where the attacker progresses beyond easy modes toward increasingly difficult ones. We observe that this simple plug-and-play module, which seamlessly integrates into existing RL objectives, unexpectedly outperformed prior RL-based methods, improving cross-attack success rates against GFlowNets, the previous state-of-the-art, from 0.07\% to 31.28\% (a relative gain of more than 400×) with only a 6\% increase in computation.
As AI systems become more capable, training procedures that optimize for downstream outcomes risk introducing implicit agency: goal-directed behavior that designers never specified. We present a formal safety argument for the Scientist AI (SAI) Predictor, trained to approximate the Bayesian posterior conditioned on a dataset of "epistemically contextualized" natural-language statements. We argue that such a Predictor can honestly predict agents, actions, and their consequences without itself being an agent that selects outputs to achieve goals. This rests on data representation and on the training procedure. Epistemic contextualization of text distinguishes latent factual claims from communication acts, so expressions of goals are treated as evidence to be explained rather than drives the model adopts. With a posterior-seeking training objective, this is intended to drive the Predictor toward calibrated, cautious predictions. Training proceeds so downstream effects of deploying a prediction never serve as a reward signal; any agency the system needs is supplied by explicit scaffolding constrained by guardrails. We prove that, under assumptions on the training dynamics and on the argued sparsity of dangerous Predictors, the probability that training produces a Predictor whose guarded deployment carries residual harm above a specified threshold is small: a dangerous Predictor would have to underestimate harm in a coordinated way across many queries while such coordinated patterns are rare under the initialization distribution and receive no direct training signal. Safety and accuracy are jointly supported in this framework, since the constraints that secure accuracy are the same ones that make coordinated deception costly. These guarantees against misalignment and agency arising from within the Predictor itself do not preclude the use of the Predictor as part of an agentic system.
Large language models (LLMs) conventionally process structured inputs as 1D token sequences. While natural for prose, such linearization may introduce additional representational burden for tasks whose computation depends directly on explicit 2D structure, because row–column alignment and local neighborhoods are no longer directly expressed in the input. We study this setting, which we refer to as serialization friction, on a small diagnostic testbed of synthetic tasks with explicit 2D structure: matrix transpose, Conway's Game of Life, and LU decomposition. To examine this question, we compare a text-only language pathway over serialized inputs with a vision-augmented pathway, built on the same language backbone, that receives the same underlying content rendered in task-faithful 2D layout, yielding a system-level comparison between two end-to-end input pathways. Across the tasks and settings we study, the visual pathway consistently outperforms the textual pathway; the gap often widens at larger dimensions, and error patterns under serialization become increasingly spatially structured. These findings indicate that the relationship between input representation and model performance on such tasks warrants further investigation, and suggest that preserving task-relevant 2D layout is a promising direction for structured 2D tasks.
One year after the publication of the 2025 memo, this policy brief assesses how the AI Summit Series has evolved through the Paris AI Action Summit and the 2026 Delhi Summit. It finds that participation, visibility, and hosting continuity have expanded, while governance structures remain informal, agendas remain host-driven, and accountability for prior commitments is weak. Against a backdrop of fragmented international AI governance and rapid advances in frontier capabilities, the brief argues that the series retains a distinctive role as a nimble forum where governments, AI developers, and experts can incubate concrete cooperation that complements broader United Nations processes. It renews recommendations for a two-track participation model separating advanced-AI governance from public-interest applications; a hybrid secretariat with institutional memory; coordinated multi-year agenda setting among successive hosts; annual leaders' summits supported by interim technical and ministerial meetings; and systematic engagement with the UN and AI Safety Institute Network. These reforms would preserve inclusive participation while creating sustained capacity to address frontier-AI risks, review previous commitments, and develop implementable agreements when political opportunities arise.
The recent surge of Large Language Models (LLMs) has led to claims that they are approaching a level of creativity akin to human capabilities. This idea has sparked a blend of excitement and apprehension. However, a critical piece that has been missing in this discourse is a systematic evaluation of LLMs’ semantic diversity, particularly in comparison to human divergent thinking. To bridge this gap, we leverage recent advances in computational creativity to analyze semantic divergence in both state-of-the-art LLMs and a substantial dataset of 100,000 humans. These divergence-based measures index associative thinking—the ability to access and combine remote concepts in semantic space—an established facet of creative cognition. We benchmark performance on the Divergent Association Task (DAT) and across multiple creative-writing tasks (haiku, story synopses, and flash fiction), using identical, objective scoring. We found evidence that LLMs can surpass average human performance on the DAT, and approach human creative writing abilities, yet they remain below the mean creativity scores observed among the more creative segment of human participants. Notably, even the top performing LLMs are still largely surpassed by the aggregated top half of human participants, underscoring a ceiling that current LLMs still fail to surpass. We also systematically varied linguistic strategy prompts and temperature, observing reliable gains in semantic divergence for several models. Our human-machine benchmarking framework addresses the polemic surrounding the imminent replacement of human creative labor by AI, disentangling the quality of the respective creative linguistic outputs using established objective measures. While prompting deeper exploration of the distinctive elements of human inventive thought compared to those of AI systems, we lay out a series of techniques to improve their outputs with respect to semantic diversity, such as prompt design and hyper-parameter tuning.
During conversational interactions, humans subconsciously engage in concurrent thinking while listening to a speaker. Although this internal cognitive processing may not always manifest as explicit linguistic structures, it is instrumental in formulating high-quality responses. Inspired by this cognitive phenomenon, we propose a novel ull-duplex tent and nternal easoning method named FLAIR that conducts thinking simultaneously with speech perception. Unlike conventional "thinking" mechanisms in NLP, which require post-hoc generation, our approach aligns seamlessly with spoken dialogue systems: during the user’s speaking phase, it recursively feeds the latent embedding output from the previous step into the next step, enabling continuous reasoning that strictly adheres to causality without introducing additional latency. To enable this latent reasoning, we design an Evidence Lower Bound-based objective that supports efficient supervised finetuning via teacher forcing, circumventing the need for explicit reasoning annotations. Experiments demonstrate the effectiveness of this think-while-listening design, which achieves competitive results on a range of speech benchmarks. Furthermore, FLAIR robustly handles conversational dynamics and attains competitive performance on full-duplex interaction metrics.
How should future neural reasoning systems implement extended computation? Recursive Reasoning Models (RRMs) offer a promising alternative to autoregressive sequence extension by performing iterative latent-state refinement with shared transition functions. Yet existing RRMs are largely deterministic, following a single latent trajectory and converging to a single prediction. We introduce \emph{Generative Recursive reAsoning Models (GRAM)}, a framework that turns recursive latent reasoning into probabilistic multi-trajectory computation. GRAM models reasoning as a stochastic latent trajectory, enabling multiple hypotheses, alternative solution strategies, and inference-time scaling through both recursive depth and parallel trajectory sampling. This yields a latent-variable generative model supporting conditional reasoning via $p_θ(y \mid x)$ and, with fixed or absent inputs, unconditional generation via $p_θ(x)$. Trained with amortized variational inference, GRAM improves over deterministic recurrent and recursive baselines on structured reasoning and multi-solution constraint satisfaction tasks, while demonstrating an unconditional generation capability. \href{https://ahn-ml.github.io/gram-website/}{https://ahn-ml.github.io/gram-website}
Solid-state electrolyte batteries are expected to replace liquid electrolyte lithium-ion batteries in the near future thanks to their higher theoretical energy density and improved safety. However, their adoption is currently hindered by imperfect electrode-electrolyte interfaces and a lower effective ionic conductivity, a quantity that governs charge and discharge rates. Identifying highly ion-conductive materials using conventional theoretical calculations and experimental validation is both time-consuming and resource-intensive. While machine learning holds the promise to expedite this process, relevant ionic conductivity and structural data is scarce. Here, we present OBELiX, a database of similar to 600 synthesized solid electrolyte materials and their experimentally measured room temperature ionic conductivities gathered from literature and curated by domain experts. Each material is described by their measured composition, space group and lattice parameters. A full-crystal description in the form of a crystallographic information file (CIF) is provided for similar to 320 structures for which atomic positions were available. We discuss various statistics and features of the dataset and provide training and testing splits carefully designed to avoid data leakage. Finally, we benchmark seven existing ML models on the task of predicting ionic conductivity and discuss their performance. The goal of this work is to facilitate the use of machine learning for solid-state electrolyte materials discovery.
Discrete diffusion models have recently emerged as a promising alternative to the autoregressive approach for generating discrete sequences. Sample generation via gradual denoising or demasking processes allows them to capture hierarchical non-sequential interdependencies in the data. These custom processes, however, do not assume a flexible control over the distribution of generated samples. We propose Discrete Feynman-Kac Correctors, a framework that allows for controlling the generated distribution of discrete masked diffusion models at inference time. We derive Sequential Monte Carlo (SMC) algorithms that, given a trained discrete diffusion model, control the temperature of the sampled distribution (i.e. perform annealing), sample from the product of marginals of several diffusion processes (e.g. differently conditioned processes), and sample from the product of the marginal with an external reward function, producing likely samples from the target distribution that also have high reward. Notably, our framework does not require any training of additional models or fine-tuning of the original model. We illustrate the utility of our framework in several applications including: efficient sampling from the annealed Boltzmann distribution of the Ising model, improving the performance of language models for code generation and amortized learning, as well as reward-tilted protein sequence generation.
Symbolic regression is the problem of finding an algebraic expression describing a stochastic dependence of a target variable on a set of inputs. Unlike forms of regression that fit parameters assuming a fixed model structure, symbolic regression is a search problem over the space of expressions, represented, for example, as abstract syntax trees using a library of operators. Symbolic regression is typically used in settings with limited, noisy data in the natural sciences. However, searching for a single best-fitting expression fails to capture the epistemic uncertainty about the expression, which motivates a Bayesian perspective that enables uncertainty quantification and specification of natural priors to constrain the search space. In this work, we propose ERRLESS (Entropy-Regularized Reinforcement Learning for Expression Structure Sampling), a scalable approach for sampling from the posterior distribution over expressions given data using maximum-entropy reinforcement learning. ERRLESS learns a neural policy that constructs expressions sequentially by building up their abstract syntax trees. At convergence, the policy samples expressions from the posterior. At test time, expressions can be sampled by rollouts of this policy. We demonstrate that ERRLESS achieves competitive results on the Feynman benchmark while producing short and interpretable expressions. Additionally, we demonstrate that the mean of the posterior predictive approximated by ERRLESS achieves a high coefficient of determination ($R^2$) compared to an SMC baseline, highlighting the benefits of the Bayesian perspective in symbolic regression.
Although computer-use agents (CUAs) hold significant potential to automate increasingly complex OS workflows, they can demonstrate unsafe unintended behaviors that deviate from expected outcomes even under benign input contexts. However, exploration of this risk remains largely anecdotal, lacking concrete characterization and automated methods to proactively surface long-tail unintended behaviors under realistic CUA scenarios. To fill this gap, we introduce the first conceptual and methodological framework for unintended CUA behaviors, by defining their key characteristics, automatically eliciting them, and analyzing how they arise from benign inputs. We propose AutoElicit: an agentic framework that iteratively perturbs benign instructions using CUA execution feedback, and elicits severe harms while keeping perturbations realistic and benign. Using AutoElicit, we surface hundreds of harmful unintended behaviors from state-of-the-art CUAs such as Claude 4.5 Haiku and Opus. We further evaluate the transferability of human-verified successful perturbations, identifying persistent susceptibility to unintended behaviors across various other frontier CUAs. This work establishes a foundation for systematically analyzing unintended behaviors in realistic computer-use settings.
The application of generative models for experimental drug discovery campaigns is severely limited by the difficulty of designing molecules de novo that can be synthesized in practice. Previous works have leveraged Generative Flow Networks (GFlowNets) to impose hard synthesizability constraints through the design of state and action spaces based on predefined reaction templates and building blocks. Despite the promising prospects of this approach, it currently lacks flexibility and scalability. As an alternative, we propose S3-GFN, which generates synthesizable SMILES molecules via simple soft regularization of a sequence-based GFlowNet. Our approach leverages rich molecular priors learned from large-scale SMILES corpora to steer molecular generation towards high-reward, synthesizable chemical spaces. The model induces constraints through off-policy replay training with a contrastive learning signal based on separate buffers of synthesizable and unsynthesizable samples. Our experiments show that S3-GFN learns to generate synthesizable molecules (≥ 95%) with higher rewards in diverse tasks.
This policy memo examines the evolution of the international AI Summit series, initiated at Bletchley Park in 2023 and continued through Seoul in 2024 and Paris in 2025, as a forum for cooperation on the governance of advanced artificial intelligence. It analyzes the factors underpinning the series' early successes and assesses challenges related to scope, participation, continuity, and institutional design. Drawing on comparisons with existing international governance models, the memo evaluates options for hosting arrangements, secretariat formats, participant selection, agenda setting, and meeting frequency. It proposes a set of design recommendations aimed at preserving the series' focus on advanced AI governance while balancing inclusivity, effectiveness, and long-term sustainability.
The International AI Safety Report 2026 synthesises the current scientific evidence on the capabilities, emerging risks, and safety of general-purpose AI systems. The report series was mandated by the nations attending the AI Safety Summit in Bletchley, UK. 29 nations, the UN, the OECD, and the EU each nominated a representative to the report's Expert Advisory Panel. Over 100 AI experts contributed, representing diverse perspectives and disciplines. Led by the Report's Chair, these independent experts collectively had full discretion over the report's content.
Advances in artificial intelligence pose risks to humanity's collective capacity to form accurate beliefs, reason well, and maintain a healthy information environment—risks we term epistemic risks. These risks arise from AI's integration into the infrastructure through which individuals and societies think, form beliefs, and make sense of the world together. We highlight three primary mechanisms by which AI can cause systemic epistemic decline: persuasion and manipulation, cognitive offloading, and feedback loops. First, AI can persuade and manipulate. It can be misused for economic or political manipulation, inciting crime or radicalization, and escalating conflict. It can also create unintentional harms, e.g. sycophancy and mental health risks. Second, AI's unique features enable cognitive offloading in a qualitatively different way from previous technologies, risking cognitive decline. Third, human-AI and AI-AI feedback loops can narrow the epistemic space which humans and AI systems draw from. This already drives homogenization and may potentially lead to fragmentation. We record the emerging empirical evidence for each mechanism and analyze how they likely amplify one another, creating compounding systemic risk. This evidence suggests that AI could be an unprecedented lever for improving epistemics, but this will not happen by default. Finally, we outline cross-cutting solutions which span AI system design, human-AI interaction, institutional reform, and wider incentive structures. Our paper ends with urgency: humanity's ability to navigate AI and non-AI risks alike may depend on how epistemically resilient our institutions are. It may be critical to act before that capacity is eroded.
In-context reinforcement learning (ICRL) promises fast adaptation to unseen environments without parameter updates, but current methods either cannot improve beyond the training distribution or require near-optimal data, limiting practical adoption. We introduce SPICE, a Bayesian ICRL method that learns a prior over Q-values via deep ensemble and updates this prior at test-time using in-context information through Bayesian updates. To recover from poor priors resulting from training on sub-optimal data, our online inference follows an Upper-Confidence Bound rule that favours exploration and adaptation. We prove that SPICE achieves regret-optimal behaviour in both stochastic bandits and finite-horizon MDPs, even when pretrained only on suboptimal trajectories. We validate these findings empirically across bandit and control benchmarks. SPICE achieves near-optimal decisions on unseen tasks, substantially reduces regret compared to prior ICRL and meta-RL approaches while rapidly adapting to unseen tasks and remaining robust under distribution shift.
Long-horizon planning is crucial in complex environments, but diffusion-based planners like Diffuser are limited by the trajectory lengths observed during training. This creates a dilemma: long trajectories are needed for effective planning, yet they degrade model performance. In this paper, we introduce this extendable long-horizon planning challenge and propose a two-phase solution. First, Progressive Trajectory Extension incrementally constructs longer trajectories through multi-round compositional stitching. Second, the Hierarchical Multiscale Diffuser enables efficient training and inference over long horizons by reasoning across temporal scales. To avoid the need for multiple separate models, we propose Adaptive Plan Pondering and the Recursive HM-Diffuser, which unify hierarchical planning within a single model. Experiments show our approach yields strong performance gains, advancing scalable and efficient decision-making over long-horizons.
Evolution is an extraordinary engine for enzymatic diversity, yet the chemistry it has explored remains a narrow slice of what DNA can encode. Deep generative models can design new proteins that bind ligands, but none have created enzymes without pre-specifying catalytic residues. We introduce DISCO (DIffusion for Sequence-structure CO-design), a multimodal model that co-designs protein sequence and 3D structure around arbitrary biomolecules, as well as inference-time scaling methods that optimize objectives across both modalities. Conditioned solely on reactive intermediates, DISCO designs diverse heme enzymes with novel active-site geometries. These enzymes catalyze new-to-nature carbene-transfer reactions, including alkene cyclopropanation, spirocyclopropanation, B-H, and C(sp^3)-H insertions, with high activities exceeding those of engineered enzymes. Random mutagenesis of a selected design further confirmed that enzyme activity can be improved through directed evolution. By providing a scalable route to evolvable enzymes, DISCO broadens the potential scope of genetically encodable transformations. Code is available at https://github.com/DISCO-design/DISCO.