Abstract:Code evolution is a family of techniques that rely on large language models to search through possible computer programs by evolving or mutating existing code. Many proposed code evolution pipelines show impressive performance but are often not compared to simpler baselines. We test how well two simple baselines do over three domains: finding better mathematical bounds, designing agentic scaffolds, and machine learning competitions. We find that simple baselines match or exceed much more sophisticated methods in all three. By analyzing these results we find various shortcomings in how code evolution is both developed and used. For the mathematical bounds, a problem's search space and domain knowledge in the prompt are chiefly what dictate a search's performance ceiling and efficiency, with the code evolution pipeline being secondary. Thus, the primary challenge in finding improved bounds is designing good search spaces, which is done by domain experts, and not the search itself. When designing agentic scaffolds we find that high variance in the scaffolds coupled with small datasets leads to suboptimal scaffolds being selected, resulting in hand-designed majority vote scaffolds performing best. We propose better evaluation methods that reduce evaluation stochasticity while keeping the code evolution economically feasible. We finish with a discussion of avenues and best practices to enable more rigorous code evolution in future work.
Abstract:Frontier LLMs are safeguarded against attempts to extract harmful information via adversarial prompts known as "jailbreaks". Recently, defenders have developed classifier-based systems that have survived thousands of hours of human red teaming. We introduce Boundary Point Jailbreaking (BPJ), a new class of automated jailbreak attacks that evade the strongest industry-deployed safeguards. Unlike previous attacks that rely on white/grey-box assumptions (such as classifier scores or gradients) or libraries of existing jailbreaks, BPJ is fully black-box and uses only a single bit of information per query: whether or not the classifier flags the interaction. To achieve this, BPJ addresses the core difficulty in optimising attacks against robust real-world defences: evaluating whether a proposed modification to an attack is an improvement. Instead of directly trying to learn an attack for a target harmful string, BPJ converts the string into a curriculum of intermediate attack targets and then actively selects evaluation points that best detect small changes in attack strength ("boundary points"). We believe BPJ is the first fully automated attack algorithm that succeeds in developing universal jailbreaks against Constitutional Classifiers, as well as the first automated attack algorithm that succeeds against GPT-5's input classifier without relying on human attack seeds. BPJ is difficult to defend against in individual interactions but incurs many flags during optimisation, suggesting that effective defence requires supplementing single-interaction methods with batch-level monitoring.
Abstract:As Large Language Model (LLM) agents become more capable, their coordinated use in the form of multi-agent systems is anticipated to emerge as a practical paradigm. Prior work has examined the safety and misuse risks associated with agents. However, much of this has focused on the single-agent case and/or setups missing basic engineering safeguards such as access control, revealing a scarcity of threat modeling in multi-agent systems. We investigate the security vulnerabilities of a popular multi-agent pattern known as the orchestrator setup, in which a central agent decomposes and delegates tasks to specialized agents. Through red-teaming a concrete setup representative of a likely future use case, we demonstrate a novel attack vector, OMNI-LEAK, that compromises several agents to leak sensitive data through a single indirect prompt injection, even in the \textit{presence of data access control}. We report the susceptibility of frontier models to different categories of attacks, finding that both reasoning and non-reasoning models are vulnerable, even when the attacker lacks insider knowledge of the implementation details. Our work highlights the importance of safety research to generalize from single-agent to multi-agent settings, in order to reduce the serious risks of real-world privacy breaches and financial losses and overall public trust in AI agents.
Abstract:Bayesian Last Layers (BLLs) provide a convenient and computationally efficient way to estimate uncertainty in neural networks. However, they underestimate epistemic uncertainty because they apply a Bayesian treatment only to the final layer, ignoring uncertainty induced by earlier layers. We propose a method that improves BLLs by leveraging a projection of Neural Tangent Kernel (NTK) features onto the space spanned by the last-layer features. This enables posterior inference that accounts for variability of the full network while retaining the low computational cost of inference of a standard BLL. We show that our method yields posterior variances that are provably greater or equal to those of a standard BLL, correcting its tendency to underestimate epistemic uncertainty. To further reduce computational cost, we introduce a uniform subsampling scheme for estimating the projection matrix and for posterior inference. We derive approximation bounds for both types of sub-sampling. Empirical evaluations on UCI regression, contextual bandits, image classification, and out-of-distribution detection tasks in image and tabular datasets, demonstrate improved calibration and uncertainty estimates compared to standard BLLs and competitive baselines, while reducing computational cost.
Abstract:Existing benchmarks for computational materials discovery primarily evaluate static predictive tasks or isolated computational sub-tasks. While valuable, these evaluations neglect the inherently iterative and adaptive nature of scientific discovery. We introduce MAterials Discovery Environments (MADE), a novel framework for benchmarking end-to-end autonomous materials discovery pipelines. MADE simulates closed-loop discovery campaigns in which an agent or algorithm proposes, evaluates, and refines candidate materials under a constrained oracle budget, capturing the sequential and resource-limited nature of real discovery workflows. We formalize discovery as a search for thermodynamically stable compounds relative to a given convex hull, and evaluate efficacy and efficiency via comparison to baseline algorithms. The framework is flexible; users can compose discovery agents from interchangeable components such as generative models, filters, and planners, enabling the study of arbitrary workflows ranging from fixed pipelines to fully agentic systems with tool use and adaptive decision making. We demonstrate this by conducting systematic experiments across a family of systems, enabling ablation of components in discovery pipelines, and comparison of how methods scale with system complexity.
Abstract:We show that iterative deployment of large language models (LLMs), each fine-tuned on data carefully curated by users from the previous models' deployment, can significantly change the properties of the resultant models. By testing this mechanism on various planning domains, we observe substantial improvements in planning skills, with later models displaying emergent generalization by discovering much longer plans than the initial models. We then provide theoretical analysis showing that iterative deployment effectively implements reinforcement learning (RL) training in the outer-loop (i.e. not as part of intentional model training), with an implicit reward function. The connection to RL has two important implications: first, for the field of AI safety, as the reward function entailed by repeated deployment is not defined explicitly, and could have unexpected implications to the properties of future model deployments. Second, the mechanism highlighted here can be viewed as an alternative training regime to explicit RL, relying on data curation rather than explicit rewards.
Abstract:Large Language Models (LLMs) interact with millions of people worldwide in applications such as customer support, education and healthcare. However, their ability to produce deceptive outputs, whether intentionally or inadvertently, poses significant safety concerns. The unpredictable nature of LLM behavior, combined with insufficient safeguards against hallucination, misinformation, and user manipulation, makes their misuse a serious, real-world risk. In this paper, we investigate the extent to which LLMs engage in deception within dialogue, and propose the belief misalignment metric to quantify deception. We evaluate deception across four distinct dialogue scenarios, using five established deception detection metrics and our proposed metric. Our findings reveal this novel deception measure correlates more closely with human judgments than any existing metrics we test. Additionally, our benchmarking of eight state-of-the-art models indicates that LLMs naturally exhibit deceptive behavior in approximately 26% of dialogue turns, even when prompted with seemingly benign objectives. When prompted to deceive, LLMs are capable of increasing deceptiveness by as much as 31% relative to baselines. Unexpectedly, models trained with RLHF, the predominant approach for ensuring the safety of widely-deployed LLMs, still exhibit deception at a rate of 43% on average. Given that deception in dialogue is a behavior that develops over an interaction history, its effective evaluation and mitigation necessitates moving beyond single-utterance analyses. We introduce a multi-turn reinforcement learning methodology to fine-tune LLMs to reduce deceptive behaviors, leading to a 77.6% reduction compared to other instruction-tuned models.
Abstract:Poisoning attacks can compromise the safety of large language models (LLMs) by injecting malicious documents into their training data. Existing work has studied pretraining poisoning assuming adversaries control a percentage of the training corpus. However, for large models, even small percentages translate to impractically large amounts of data. This work demonstrates for the first time that poisoning attacks instead require a near-constant number of documents regardless of dataset size. We conduct the largest pretraining poisoning experiments to date, pretraining models from 600M to 13B parameters on chinchilla-optimal datasets (6B to 260B tokens). We find that 250 poisoned documents similarly compromise models across all model and dataset sizes, despite the largest models training on more than 20 times more clean data. We also run smaller-scale experiments to ablate factors that could influence attack success, including broader ratios of poisoned to clean data and non-random distributions of poisoned samples. Finally, we demonstrate the same dynamics for poisoning during fine-tuning. Altogether, our results suggest that injecting backdoors through data poisoning may be easier for large models than previously believed as the number of poisons required does not scale up with model size, highlighting the need for more research on defences to mitigate this risk in future models.
Abstract:Reinforcement Learning, particularly through policy gradient methods, has played a central role in enabling reasoning capabilities of Large Language Models. However, the optimization stability of policy gradients in this setting remains understudied. As a result, existing implementations often resort to conservative hyperparameter choices to ensure stability, which requires more training samples and increases computational costs. Hence, developing models for reliably tracking the underlying optimization dynamics and leveraging them into training enables more sample-efficient regimes and further unleashes scalable post-training. We address this gap by formalizing the stochastic optimization problem of policy gradients with explicit consideration of second-order geometry. We propose a tractable computational framework that tracks and leverages curvature information during policy updates. We further employ this framework to design interventions in the optimization process through data selection. The resultant algorithm, Curvature-Aware Policy Optimization (CAPO), identifies samples that contribute to unstable updates and masks them out. Theoretically, we establish monotonic improvement guarantees under realistic assumptions. On standard math reasoning benchmarks, we empirically show that CAPO ensures stable updates under aggressive learning regimes where baselines catastrophically fail. With minimal intervention (rejecting fewer than 8% of tokens), CAPO achieves up to 30x improvement in sample efficiency over standard GRPO for LLM reasoning.
Abstract:Active testing enables label-efficient evaluation of models through careful data acquisition. However, its significant computational costs have previously undermined its use for large models. We show how it can be successfully scaled up to the evaluation of large language models (LLMs). In particular we show that the surrogate model used to guide data acquisition can be constructed cheaply using in-context learning, does not require updating within an active-testing loop, and can be smaller than the target model. We even find we can make good data-acquisition decisions without computing predictions with the target model and further introduce a single-run error estimator to asses how well active testing is working on the fly. We find that our approach is able to more effectively evaluate LLM performance with less data than current standard practices.