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Publications
Geometry aware graph attention networks to explain single-cell chromatin state and gene expression
In industrial environments, predicting human actions is essential for ensuring safe and effective collaboration between humans and robots. T… (see more)his paper introduces a perception framework that enables mobile robots to understand and share information about human actions in a decentralized way. The framework first allows each robot to build a spatial graph representing its surroundings, which it then shares with other robots. This shared spatial data is combined with temporal information to track human behavior over time. A swarm-inspired decision-making process is used to ensure all robots agree on a unified interpretation of the human's actions. Results show that adding more robots and incorporating longer time sequences improve prediction accuracy. Additionally, the consensus mechanism increases system resilience, making the multi-robot setup more reliable in dynamic industrial settings.
Impact de l'antibiothérapie par Daptomycine dans le traitement des bactériémies à Enterococcus faecium en réanimation : l'étude rétrospective multicentrique ENTERODAPTO.
Persuasion is a powerful capability of large language models (LLMs) that both enables beneficial applications (e.g. helping people quit smok… (see more)ing) and raises significant risks (e.g. large-scale, targeted political manipulation). Prior work has found models possess a significant and growing persuasive capability, measured by belief changes in simulated or real users. However, these benchmarks overlook a crucial risk factor: the propensity of a model to attempt to persuade in harmful contexts. Understanding whether a model will blindly ``follow orders'' to persuade on harmful topics (e.g. glorifying joining a terrorist group) is key to understanding the efficacy of safety guardrails. Moreover, understanding if and when a model will engage in persuasive behavior in pursuit of some goal is essential to understanding the risks from agentic AI systems. We propose the Attempt to Persuade Eval (APE) benchmark, that shifts the focus from persuasion success to persuasion attempts, operationalized as a model's willingness to generate content aimed at shaping beliefs or behavior. Our evaluation framework probes frontier LLMs using a multi-turn conversational setup between simulated persuader and persuadee agents. APE explores a diverse spectrum of topics including conspiracies, controversial issues, and non-controversially harmful content. We introduce an automated evaluator model to identify willingness to persuade and measure the frequency and context of persuasive attempts. We find that many open and closed-weight models are frequently willing to attempt persuasion on harmful topics and that jailbreaking can increase willingness to engage in such behavior. Our results highlight gaps in current safety guardrails and underscore the importance of evaluating willingness to persuade as a key dimension of LLM risk. APE is available at github.com/AlignmentResearch/AttemptPersuadeEval
Sequence modeling is currently dominated by causal transformer architectures that use softmax self-attention. Although widely adopted, trans… (see more)formers require scaling memory and compute linearly during inference. A recent stream of work linearized the softmax operation, resulting in powerful recurrent neural network (RNN) models with constant memory and compute costs such as DeltaNet, Mamba or xLSTM. These models can be unified by noting that their recurrent layer dynamics can all be derived from an in-context regression objective, approximately optimized through an online learning rule. Here, we join this line of work and introduce a numerically stable, chunkwise parallelizable version of the recently proposed Mesa layer (von Oswald et al., 2024), and study it in language modeling at the billion-parameter scale. This layer again stems from an in-context loss, but which is now minimized to optimality at every time point using a fast conjugate gradient solver. Through an extensive suite of experiments, we show that optimal test-time training enables reaching lower language modeling perplexity and higher downstream benchmark performance than previous RNNs, especially on tasks requiring long context understanding. This performance gain comes at the cost of additional flops spent during inference time. Our results are therefore intriguingly related to recent trends of increasing test-time compute to improve performance -- here by spending compute to solve sequential optimization problems within the neural network itself.
A major bottleneck in scientific discovery involves narrowing a large combinatorial set of objects, such as proteins or molecules, to a smal… (see more)l set of promising candidates. While this process largely relies on expert knowledge, recent methods leverage reinforcement learning (RL) to enhance this filtering. They achieve this by estimating proxy reward functions from available datasets and using regularization to generate more diverse candidates. These reward functions are inherently uncertain, raising a particularly salient challenge for scientific discovery. In this work, we show that existing methods, often framed as sampling proportional to a reward function, are inadequate and yield suboptimal candidates, especially in large search spaces. To remedy this issue, we take a robust RL approach and introduce a unified operator that seeks robustness to the uncertainty of the proxy reward function. This general operator targets peakier sampling distributions while encompassing known soft RL operators. It also leads us to a novel algorithm that identifies higher-quality, diverse candidates in both synthetic and real-world tasks. Ultimately, our work offers a new, flexible perspective on discrete compositional generation tasks. Code: https://github.com/marcojira/tgm.
Density Functional Theory (DFT) allows for predicting all the chemical and physical properties of molecular systems from first principles by… (see more) finding an approximate solution to the many-body Schrödinger equation. However, the cost of these predictions becomes infeasible when increasing the scale of the energy evaluations, e.g., when calculating the ground-state energy for simulating molecular dynamics. Recent works have demonstrated that, for substantially large datasets of molecular conformations, Deep Learning-based models can predict the outputs of the classical DFT solvers by amortizing the corresponding optimization problems. In this paper, we propose a novel method that reduces the dependency of amortized DFT solvers on large pre-collected datasets by introducing a self-refining training strategy. Namely, we propose an efficient method that simultaneously trains a deep-learning model to predict the DFT outputs and samples molecular conformations that are used as training data for the model. We derive our method as a minimization of the variational upper bound on the KL-divergence measuring the discrepancy between the generated samples and the target Boltzmann distribution defined by the ground state energy. To demonstrate the utility of the proposed scheme, we perform an extensive empirical study comparing it with the models trained on the pre-collected datasets. Finally, we open-source our implementation of the proposed algorithm, optimized with asynchronous training and sampling stages, which enables simultaneous sampling and training. Code is available at https://github.com/majhas/self-refining-dft.
In this paper, we investigate the use of small datasets in the context of offline reinforcement learning (RL). While many common offline RL … (see more)benchmarks employ datasets with over a million data points, many offline RL applications rely on considerably smaller datasets. We show that offline RL algorithms can overfit on small datasets, resulting in poor performance. To address this challenge, we introduce"Sparse-Reg": a regularization technique based on sparsity to mitigate overfitting in offline reinforcement learning, enabling effective learning in limited data settings and outperforming state-of-the-art baselines in continuous control.
Evaluating machine translation (MT) quality for under-resourced African languages remains a significant challenge, as existing metrics often… (see more) suffer from limited language coverage and poor performance in low-resource settings. While recent efforts, such as AfriCOMET, have addressed some of the issues, they are still constrained by small evaluation sets, a lack of publicly available training data tailored to African languages, and inconsistent performance in extremely low-resource scenarios. In this work, we introduce SSA-MTE, a large-scale human-annotated MT evaluation (MTE) dataset covering 13 African language pairs from the News domain, with over 63,000 sentence-level annotations from a diverse set of MT systems. Based on this data, we develop SSA-COMET and SSA-COMET-QE, improved reference-based and reference-free evaluation metrics. We also benchmark prompting-based approaches using state-of-the-art LLMs like GPT-4o and Claude. Our experimental results show that SSA-COMET models significantly outperform AfriCOMET and are competitive with the strongest LLM (Gemini 2.5 Pro) evaluated in our study, particularly on low-resource languages such as Twi, Luo, and Yoruba. All resources are released under open licenses to support future research.
Scaling deep reinforcement learning networks is challenging and often results in degraded performance, yet the root causes of this failure m… (see more)ode remain poorly understood. Several recent works have proposed mechanisms to address this, but they are often complex and fail to highlight the causes underlying this difficulty. In this work, we conduct a series of empirical analyses which suggest that the combination of non-stationarity with gradient pathologies, due to suboptimal architectural choices, underlie the challenges of scale. We propose a series of direct interventions that stabilize gradient flow, enabling robust performance across a range of network depths and widths. Our interventions are simple to implement and compatible with well-established algorithms, and result in an effective mechanism that enables strong performance even at large scales. We validate our findings on a variety of agents and suites of environments.
Planning for many manipulation tasks, such as using tools or assembling parts, often requires both symbolic and geometric reasoning. Task an… (see more)d Motion Planning (TAMP) algorithms typically solve these problems by conducting a tree search over high-level task sequences while checking for kinematic and dynamic feasibility. While performant, most existing algorithms are highly inefficient as their time complexity grows exponentially with the number of possible actions and objects. Additionally, they only find a single solution to problems in which many feasible plans may exist. To address these limitations, we propose a novel algorithm called Stein Task and Motion Planning (STAMP) that leverages parallelization and differentiable simulation to efficiently search for multiple diverse plans. STAMP relaxes discrete-and-continuous TAMP problems into continuous optimization problems that can be solved using variational inference. Our algorithm builds upon Stein Variational Gradient Descent, a gradient-based variational inference algorithm, and parallelized differentiable physics simulators on the GPU to efficiently obtain gradients for inference. Further, we employ imitation learning to introduce action abstractions that reduce the inference problem to lower dimensions. We demonstrate our method on two TAMP problems and empirically show that STAMP is able to: 1) produce multiple diverse plans in parallel; and 2) search for plans more efficiently compared to existing TAMP baselines.
State entropy regularization has empirically shown better exploration and sample complexity in reinforcement learning (RL). However, its the… (see more)oretical guarantees have not been studied. In this paper, we show that state entropy regularization improves robustness to structured and spatially correlated perturbations. These types of variation are common in transfer learning but often overlooked by standard robust RL methods, which typically focus on small, uncorrelated changes. We provide a comprehensive characterization of these robustness properties, including formal guarantees under reward and transition uncertainty, as well as settings where the method performs poorly. Much of our analysis contrasts state entropy with the widely used policy entropy regularization, highlighting their different benefits. Finally, from a practical standpoint, we illustrate that compared with policy entropy, the robustness advantages of state entropy are more sensitive to the number of rollouts used for policy evaluation.
