Novelty detection in large scientific datasets faces two key challenges: the noisy and high-dimensional nature of experimental data, and the necessity of making statements about any observed outliers. While there is a wealth of literature on anomaly detection via dimensionality reduction, most methods do not produce outputs compatible with quantifiable claims of scientific discovery. In this work we directly address these challenges, presenting the first step towards a unified pipeline for novelty detection adapted for the rigorous statistical demands of science. We introduce AutoSciDACT (Automated Scientific Discovery with Anomalous Contrastive Testing), a general-purpose pipeline for detecting novelty in scientific data. AutoSciDACT begins by creating expressive low-dimensional data representations using a contrastive pre-training, leveraging the abundance of high-quality simulated data in many scientific domains alongside expertise that can guide principled data augmentation strategies. These compact embeddings then enable an extremely sensitive machine learning-based two-sample test using the New Physics Learning Machine (NPLM) framework, which identifies and statistically quantifies deviations in observed data relative to a reference distribution (null hypothesis). We perform experiments across a range of astronomical, physical, biological, image, and synthetic datasets, demonstrating strong sensitivity to small injections of anomalous data across all domains.

Evaluating the scientific discovery capabilities of large language model based agents, particularly how they cope with varying environmental complexity and utilize prior knowledge, requires specialized benchmarks currently lacking in the landscape. To address this gap, we introduce PhysGym, a novel benchmark suite and simulation platform for rigorously assessing LLM-based scientific reasoning in interactive physics environments. PhysGym's primary contribution lies in its sophisticated control over the level of prior knowledge provided to the agent. This allows researchers to dissect agent performance along axes including the complexity of the problem and the prior knowledge levels. The benchmark comprises a suite of interactive simulations, where agents must actively probe environments, gather data sequentially under constraints and formulate hypotheses about underlying physical laws. PhysGym provides standardized evaluation protocols and metrics for assessing hypothesis accuracy and model fidelity. We demonstrate the benchmark's utility by presenting results from baseline LLMs, showcasing its ability to differentiate capabilities based on varying priors and task complexity.

We take two key steps in automating the open-ended discovery of new mathematical theories, a grand challenge in artificial intelligence. First, we introduce Fermat, a reinforcement learning (RL) environment that models concept discovery and theorem-proving using a set of symbolic actions, opening up a range of RL problems relevant to theory discovery. Second, we explore a specific problem through Fermat: automatically scoring the interestingness of mathematical objects. We investigate evolutionary algorithms for synthesizing nontrivial interestingness measures. In particular, we introduce an LLM-based evolutionary algorithm that features function abstraction, leading to notable improvements in discovering elementary number theory and finite fields over hard-coded baselines.

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We study the sample complexity of robust binary hypothesis testing under three standard contamination models: $\varepsilon$-additive (Huber), $\varepsilon$-subtractive, and $\varepsilon$-total variation (TV), denoted by $n^*_{\mathrm{Hub}}(\varepsilon)$, $n^*_{\mathrm{Sub}}(\varepsilon)$, and $n^*_{\mathrm{TV}}(\varepsilon)$, respectively. For subtractive contamination, we show that least favourable distributions exist and provide explicit formulas for the same, bringing this model in line with the classical Huber and TV models. Next we show that in all three models, sample complexity may be highly unstable in the contamination parameter $\varepsilon$, increasing by polynomial factors even for $o(\varepsilon)$ perturbations. Similarly, there may be polynomial factor gaps between the sample complexities when $\varepsilon$ is known exactly versus when it is known up to $o(\varepsilon)$ error. Despite the instability of the sample complexity in all models, we show that the sample complexities across models are comparable up to constant-factor rescaling of $\varepsilon$. Specifically, for any fixed $δ_0>0$, the following hold for all distributions $p$ and $q$: (i) $n^*_{\mathrm{Hub}}(\varepsilon) \lesssim n^*_{\mathrm{TV}}(\varepsilon) \lesssim n^*_{\mathrm{Hub}}(2\varepsilon)$, (ii) $n^*_{\mathrm{Sub}}(\varepsilon) \lesssim n^*_{\mathrm{TV}}(\varepsilon) \lesssim n^*_{\mathrm{Sub}}((2+δ_0)\varepsilon)$, and (iii) $n^*_{\mathrm{Sub}}(\varepsilon) \lesssim n^*_{\mathrm{Hub}}(\varepsilon) \lesssim n^*_{\mathrm{Sub}}((1+δ_0)\varepsilon)$, and the scaling constants are tight. Finally, we extend our results to adaptive versions of the contamination models.

Spectral deconvolution is essential for extracting peak structures that encode material properties and chemical structures, but conventional automated methods often fail when spectra contain high-intensity noise or unknown background components. In practice, scientists rarely interpret spectra in isolation. Instead, they identify physically meaningful peaks by relating spectral structures to auxiliary information such as physical-property values, chemical structures, and trends across related measurements. Here, we propose a Bayesian framework that integrates spectral deconvolution with a model of expert scientific reasoning. In this work, expert scientific reasoning refers to the practice of evaluating candidate spectral structures by their consistency with independently measured physical-property values, rather than to manual expert intervention during inference. We formalize this reasoning as a physical-property regression layer, implemented using Gaussian process regression, and couple it with Bayesian spectral deconvolution. By averaging the physical-property likelihood over posterior predictive spectra inferred from Bayesian spectral deconvolution, the proposed method selects spectral models according to the consistency between inferred spectral structures and physical-property information. We validate the framework using synthetic spectra with high-intensity noise or unknown backgrounds and infrared spectra of poly(lactic acid). The method recovers physically meaningful peak structures that conventional Bayesian spectral deconvolution misses or misidentifies from spectra alone, including weak peaks in poly(lactic acid) IR spectra related to measured degradation rates. These results demonstrate that integrating expert scientific reasoning with Bayesian spectral deconvolution enables robust peak estimation under conditions where spectrum-only inference is unreliable.

On the 31st March, our editorial team headed to the Royal Society for AI for Science . This day-long conference explored how AI is changing the nature of scientific discovery, and was hosted by the Fundamental Research team from the Alan Turing Institute. Nestled in a terrace of 19th century townhouses along the banks of the Thames, the Royal Society looks as grand as the names who have passed through its doors throughout the years. Prof Jason McEwen, Chief Scientist for the Turing Institute, opened the event with an insightful talk on the nature of scientific revolution, and how the bidirectional relationship between AI and science could spark the next one. Then, Prof Anna Scaife from the University of Manchester spoke on the use of foundation models for astronomical discovery.

We only observe their transformed versions h(xis) and g(xit), for some known function class h() and g(). Our goal is to perform a statistical test checking if Psource = Ptarget while removing the distortions induced by the transformations. This problem is closely related to domain adaptation, and in our case, is motivated by the need to combine clinical and imaging based biomarkers from multiple sites and/or batches - a fairly common impediment in conducting analyses with much larger sample sizes. We address this problem using ideas from hypothesis testing on the transformed measurements, wherein the distortions need to be estimated in tandem with the testing. We derive a simple algorithm and study its convergence and consistency properties in detail, and provide lower-bound strategies based on recent work in continuous optimization. On a dataset of individuals at risk for Alzheimer's disease, our framework is competitive with alternative procedures that are twice as expensive and in some cases operationally infeasible to implement.

If the goal of a robot is to perform a function, then minimizing the possibility of failure is a top priority when it comes to robotic design. But this minimization is at odds with the robotic raison d'être: systems with multiple units, or agents, can perform more diverse functions, but they also have more different parts that can potentially fail. Researchers led by Jamie Paik, head of the Reconfigurable Robotics Laboratory ( RRL) in EPFL's School of Engineering, have not only circumvented this problem, but flipped it: they have designed a modular robot that actually lowers its odds of failure by sharing resources among its individual agents. "For the first time, we have found a way to reverse the trend of increasing odds of failure with increasing function," Paik explains. "We introduce local resource sharing as a new paradigm in robotics, reducing the failure rate with a larger number of modules."

What I've learned from 25 years of automated science, and what the future holds: an interview with Ross King We're excited to launch our new series, where we're speaking with leading researchers to explore the breakthroughs driving AI and the reality of the future promises - to give you an inside perspective on the headlines. Our first interviewee is Ross King, who created the first robot scientist back in 2009. He spoke to us about the nature of scientific discovery, the role AI has to play, and his recent work in DNA computing. Automated science is a really exciting area, and it feels like everyone's talking about it at the moment - e.g. But you've been working in this field for many years now. In 2009 you developed Adam, the first robot scientist to generate novel scientific knowledge. Could you tell me some more about that? So the history goes back to before Adam.