Large language models (LLMs) can learn vast amounts of knowledge from diverse domains during pre-training. However, long-tail knowledge from specialized domains is often scarce and underrepresented, rarely appearing in the models' memorization. Prior work has shown that in-context learning (ICL) with retriever augmentation can help LLMs better capture long-tail knowledge, reducing their reliance on pre-trained data. Despite these advances, we observe that LLM predictions for long-tail questions remain uncertain to variations in retrieved samples. To take advantage of the uncertainty in ICL for guiding LLM predictions toward correct answers on long-tail samples, we propose a reinforcement learning-based dynamic uncertainty ranking method for ICL that accounts for the varying impact of each retrieved sample on LLM predictions. Our approach prioritizes more informative and stable samples while demoting misleading ones, updating rankings based on the feedback from the LLM w.r.t. each retrieved sample. To enhance training efficiency and reduce query costs, we introduce a learnable dynamic ranking threshold, adjusted when the model encounters negative prediction shifts. Experimental results on various question-answering datasets from different domains show that our method outperforms the best baseline by $2.76\%$, with a notable $5.96\%$ boost in accuracy on long-tail questions that elude zero-shot inference.

Research has shown the effectiveness of reasoning (e.g., Chain-of-Thought), planning (e.g., SelfAsk), and retrieval augmented generation strategies to improve the performance of Large Language Models (LLMs) on various tasks, such as question answering. However, using a single fixed strategy to answer different kinds of questions is suboptimal in performance and inefficient in terms of generated output tokens and performed retrievals. In our work, we propose a novel technique DyPlan, to induce a dynamic strategy selection process in LLMs, to improve performance and reduce costs in question-answering. DyPlan incorporates an initial decision step to select the most suitable strategy conditioned on the input question and guides the LLM's response generation accordingly. We extend DyPlan to DyPlan-verify, adding an internal verification and correction process to further enrich the generated answer. Experiments on three prominent multi-hop question answering (MHQA) datasets reveal how DyPlan can improve model performance by 7-13% while reducing the cost by 11-32% relative to the best baseline model.

Large Language Models (LLMs) are increasingly employed for simulations, enabling applications in role-playing agents and Computational Social Science (CSS). However, the reliability of these simulations is under-explored, which raises concerns about the trustworthiness of LLMs in these applications. In this paper, we aim to answer ``How reliable is LLM-based simulation?'' To address this, we introduce TrustSim, an evaluation dataset covering 10 CSS-related topics, to systematically investigate the reliability of the LLM simulation. We conducted experiments on 14 LLMs and found that inconsistencies persist in the LLM-based simulated roles. In addition, the consistency level of LLMs does not strongly correlate with their general performance. To enhance the reliability of LLMs in simulation, we proposed Adaptive Learning Rate Based ORPO (AdaORPO), a reinforcement learning-based algorithm to improve the reliability in simulation across 7 LLMs. Our research provides a foundation for future studies to explore more robust and trustworthy LLM-based simulations.

The anisotropic structure of the myocardium is a key determinant of the cardiac function. To date, there is no imaging modality to assess in-vivo the cardiac fiber structure. We recently proposed Fibernet, a method for the automatic identification of the anisotropic conduction -- and thus fibers -- in the atria from local electrical recordings. Fibernet uses cardiac activation as recorded during electroanatomical mappings to infer local conduction properties using physics-informed neural networks. In this work, we extend Fibernet to cope with the uncertainty in the estimated fiber field. Specifically, we use an ensemble of neural networks to produce multiple samples, all fitting the observed data, and compute posterior statistics. We also introduce a methodology to select the best fiber orientation members and define the input of the neural networks directly on the atrial surface. With these improvements, we outperform the previous methodology in terms of fiber orientation error in 8 different atrial anatomies. Currently, our approach can estimate the fiber orientation and conduction velocities in under 7 minutes with quantified uncertainty, which opens the door to its application in clinical practice. We hope the proposed methodology will enable further personalization of cardiac digital twins for precision medicine.

The discovery and identification of molecules in biological and environmental samples is crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry (MS/MS) is the leading technique for high-throughput elucidation of molecular structures. However, decoding a molecular structure from its mass spectrum is exceptionally challenging, even when performed by human experts. As a result, the vast majority of acquired MS/MS spectra remain uninterpreted, thereby limiting our understanding of the underlying (bio)chemical processes. Despite decades of progress in machine learning applications for predicting molecular structures from MS/MS spectra, the development of new methods is severely hindered by the lack of standard datasets and evaluation protocols. To address this problem, we propose MassSpecGym -- the first comprehensive benchmark for the discovery and identification of molecules from MS/MS data. Our benchmark comprises the largest publicly available collection of high-quality labeled MS/MS spectra and defines three MS/MS annotation challenges: \textit{de novo} molecular structure generation, molecule retrieval, and spectrum simulation. It includes new evaluation metrics and a generalization-demanding data split, therefore standardizing the MS/MS annotation tasks and rendering the problem accessible to the broad machine learning community. MassSpecGym is publicly available at \url{https://github.com/pluskal-lab/MassSpecGym}.

This paper presents a pilot study on direct speech-to-speech translation (S2ST) by leveraging linguistic similarities among selected African languages within the same phylum, particularly in cases where traditional data annotation is expensive or impractical. We propose a segment-based model that maps speech segments both within and across language phyla, effectively eliminating the need for large paired datasets. By utilizing paired segments and guided diffusion, our model enables translation between any two languages in the dataset. We evaluate the model on a proprietary dataset from the Kenya Broadcasting Corporation (KBC), which includes five languages: Swahili, Luo, Kikuyu, Nandi, and English. The model demonstrates competitive performance in segment pairing and translation quality, particularly for languages within the same phylum. Our experiments reveal that segment length significantly influences translation accuracy, with average-length segments yielding the highest pairing quality. Comparative analyses with traditional cascaded ASR-MT techniques show that the proposed model delivers nearly comparable translation performance. This study underscores the potential of exploiting linguistic similarities within language groups to perform efficient S2ST, especially in low-resource language contexts.

Pre-training is notoriously compute-intensive and academic researchers are notoriously under-resourced. It is, therefore, commonly assumed that academics can't pre-train models. In this paper, we seek to clarify this assumption. We first survey academic researchers to learn about their available compute and then empirically measure the time to replicate models on such resources. We introduce a benchmark to measure the time to pre-train models on given GPUs and also identify ideal settings for maximizing training speed. We run our benchmark on a range of models and academic GPUs, spending 2,000 GPU-hours on our experiments. Our results reveal a brighter picture for academic pre-training: for example, although Pythia-1B was originally trained on 64 GPUs for 3 days, we find it is also possible to replicate this model (with the same hyper-parameters) in 3x fewer GPU-days: i.e. on 4 GPUs in 18 days. We conclude with a cost-benefit analysis to help clarify the trade-offs between price and pre-training time. We believe our benchmark will help academic researchers conduct experiments that require training larger models on more data. We fully release our codebase at: https://github.com/apoorvkh/academic-pretraining.

As large language models (LLMs) expand into performing as agents for real-world applications beyond traditional NLP tasks, evaluating their robustness becomes increasingly important. However, existing benchmarks often overlook critical dimensions like cultural and social awareness. To address these, we introduce CASA, a benchmark designed to assess LLM agents' sensitivity to cultural and social norms across two web-based tasks: online shopping and social discussion forums. Our approach evaluates LLM agents' ability to detect and appropriately respond to norm-violating user queries and observations. Furthermore, we propose a comprehensive evaluation framework that measures awareness coverage, helpfulness in managing user queries, and the violation rate when facing misleading web content. Experiments show that current LLMs perform significantly better in non-agent than in web-based agent environments, with agents achieving less than 10% awareness coverage and over 40% violation rates. To improve performance, we explore two methods: prompting and fine-tuning, and find that combining both methods can offer complementary advantages -- fine-tuning on culture-specific datasets significantly enhances the agents' ability to generalize across different regions, while prompting boosts the agents' ability to navigate complex tasks. These findings highlight the importance of constantly benchmarking LLM agents' cultural and social awareness during the development cycle.

While large models trained with self-supervised learning on offline datasets have shown remarkable capabilities in text and image domains, achieving the same generalisation for agents that act in sequential decision problems remains an open challenge. In this work, we take a step towards this goal by procedurally generating tens of millions of 2D physics-based tasks and using these to train a general reinforcement learning (RL) agent for physical control. To this end, we introduce Kinetix: an open-ended space of physics-based RL environments that can represent tasks ranging from robotic locomotion and grasping to video games and classic RL environments, all within a unified framework. Kinetix makes use of our novel hardware-accelerated physics engine Jax2D that allows us to cheaply simulate billions of environment steps during training. Our trained agent exhibits strong physical reasoning capabilities, being able to zero-shot solve unseen human-designed environments. Furthermore, fine-tuning this general agent on tasks of interest shows significantly stronger performance than training an RL agent *tabula rasa*. This includes solving some environments that standard RL training completely fails at. We believe this demonstrates the feasibility of large scale, mixed-quality pre-training for online RL and we hope that Kinetix will serve as a useful framework to investigate this further.

Retrieval-Augmented Generation (RAG) has become a powerful paradigm for enhancing large language models (LLMs) through external knowledge retrieval. Despite its widespread attention, existing academic research predominantly focuses on single-turn RAG, leaving a significant gap in addressing the complexities of multi-turn conversations found in real-world applications. To bridge this gap, we introduce CORAL, a large-scale benchmark designed to assess RAG systems in realistic multi-turn conversational settings. CORAL includes diverse information-seeking conversations automatically derived from Wikipedia and tackles key challenges such as open-domain coverage, knowledge intensity, free-form responses, and topic shifts. It supports three core tasks of conversational RAG: passage retrieval, response generation, and citation labeling. We propose a unified framework to standardize various conversational RAG methods and conduct a comprehensive evaluation of these methods on CORAL, demonstrating substantial opportunities for improving existing approaches.