Peu importe la taille : démocratiser la découverte de protéines avec l'IA
Des chercheurs de Mila ont créé un puissant modèle de langage protéique à source ouverte plus compact et efficace afin de démocratiser la découverte de protéines.
La prochaine cohorte de notre programme, conçu pour fournir aux participant·e·s une compréhension fondamentale des technologies de l'IA, se déroulera à Ottawa les 28 et 29 novembre.
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Publications
Iterated Denoising Energy Matching for Sampling from Boltzmann Densities
Efficiently generating statistically independent samples from an unnormalized probability distribution, such as equilibrium samples of many-… (voir plus)body systems, is a foundational problem in science. In this paper, we propose Iterated Denoising Energy Matching (iDEM), an iterative algorithm that uses a novel stochastic score matching objective leveraging solely the energy function and its gradient---and no data samples---to train a diffusion-based sampler. Specifically, iDEM alternates between (I) sampling regions of high model density from a diffusion-based sampler and (II) using these samples in our stochastic matching objective to further improve the sampler. iDEM is scalable to high dimensions as the inner matching objective, is *simulation-free*, and requires no MCMC samples. Moreover, by leveraging the fast mode mixing behavior of diffusion, iDEM smooths out the energy landscape enabling efficient exploration and learning of an amortized sampler. We evaluate iDEM on a suite of tasks ranging from standard synthetic energy functions to invariant
GFlowNets are probabilistic models that sequentially generate compositional structures through a stochastic policy. Among GFlowNets, tempera… (voir plus)ture-conditional GFlowNets can introduce temperature-based controllability for exploration and exploitation. We propose \textit{Logit-scaling GFlowNets} (Logit-GFN), a novel architectural design that greatly accelerates the training of temperature-conditional GFlowNets. It is based on the idea that previously proposed approaches introduced numerical challenges in the deep network training, since different temperatures may give rise to very different gradient profiles as well as magnitudes of the policy's logits. We find that the challenge is greatly reduced if a learned function of the temperature is used to scale the policy's logits directly. Also, using Logit-GFN, GFlowNets can be improved by having better generalization capabilities in offline learning and mode discovery capabilities in online learning, which is empirically verified in various biological and chemical tasks. Our code is available at https://github.com/dbsxodud-11/logit-gfn
Neural Processes (NPs) are popular meta-learning methods for efficiently modelling predictive uncertainty. Recent state-of-the-art methods, … (voir plus)however, leverage expensive attention mechanisms, limiting their applications, particularly in low-resource settings. In this work, we propose Constant Memory Attention Block (CMAB), a novel general-purpose attention block that (1) is permutation invariant, (2) computes its output in constant memory, and (3) performs updates in constant computation. Building on CMAB, we propose Constant Memory Attentive Neural Processes (CMANPs), an NP variant which only requires \textbf{constant} memory. Empirically, we show CMANPs achieve state-of-the-art results on popular NP benchmarks (meta-regression and image completion) while being significantly more memory efficient than prior methods.
The recent rapid progress in (self) supervised learning models is in large part predicted by empirical scaling laws: a model's performance s… (voir plus)cales proportionally to its size. Analogous scaling laws remain elusive for reinforcement learning domains, however, where increasing the parameter count of a model often hurts its final performance. In this paper, we demonstrate that incorporating Mixture-of-Expert (MoE) modules, and in particular Soft MoEs (Puigcerver et al., 2023), into value-based networks results in more parameter-scalable models, evidenced by substantial performance increases across a variety of training regimes and model sizes. This work thus provides strong empirical evidence towards developing scaling laws for reinforcement learning.
Reinforcement learning from human feedback (RLHF) has emerged as the main paradigm for aligning large language models (LLMs) with human pref… (voir plus)erences. Traditionally, RLHF involves the initial step of learning a reward model from pairwise human feedback, i.e., expressed as preferences between pairs of text generations. Subsequently, the LLM’s policy is fine-tuned to maximize the reward through a reinforcement learning algorithm. In this study, we introduce an alternative pipeline for the fine-tuning of LLMs using pairwise human feedback. Our approach entails the initial learning of a pairwise preference model, which is conditioned on two inputs (instead of a single input in the case of a reward model) given a prompt, followed by the pursuit of a policy that consistently generates responses preferred over those generated by any competing policy, thus defining the Nash equilibrium of this preference model. We term this approach Nash learning from human feedback (NLHF). In the context of a tabular policy representation, we present a novel algorithmic solution, Nash-MD, founded on the principles of mirror descent. This algorithm produces a sequence of policies, with the last iteration converging to the regularized Nash equilibrium. Additionally, we explore parametric representations of policies and introduce gradient descent algorithms for deep-learning architectures. We illustrate the effectiveness of our approach by presenting experimental results on a text summarization task. We believe NLHF offers a compelling avenue for fine-tuning LLMs and enhancing the alignment of LLMs with human preferences.
Reinforcement learning from human feedback (RLHF) has emerged as the main paradigm for aligning large language models (LLMs) with human pref… (voir plus)erences. Traditionally, RLHF involves the initial step of learning a reward model from pairwise human feedback, i.e., expressed as preferences between pairs of text generations. Subsequently, the LLM's policy is fine-tuned to maximize the reward through a reinforcement learning algorithm.
In this study, we introduce an alternative pipeline for the fine-tuning of LLMs using pairwise human feedback. Our approach entails the initial learning of a pairwise preference model, which is conditioned on two inputs (instead of a single input in the case of a reward model) given a prompt, followed by the pursuit of a policy that consistently generates responses preferred over those generated by any competing policy, thus defining the Nash equilibrium of this preference model. We term this approach Nash learning from human feedback (NLHF).
In the context of a tabular policy representation, we present a novel algorithmic solution, Nash-MD, founded on the principles of mirror descent. This algorithm produces a sequence of policies, with the last iteration converging to the regularized Nash equilibrium. Additionally, we explore parametric representations of policies and introduce gradient descent algorithms for deep-learning architectures.
We illustrate the effectiveness of our approach by presenting experimental results on a text summarization task.
We believe NLHF offers a compelling avenue for fine-tuning LLMs and enhancing the alignment of LLMs with human preferences.
Introduction The application of large language models such as generative pre-trained transformers (GPTs) has been promising in medical educa… (voir plus)tion, and its performance has been tested for different medical exams. This study aims to assess the performance of GPTs in responding to a set of sample questions of short-answer management problems (SAMPs) from the certification exam of the College of Family Physicians of Canada (CFPC). Method Between August 8th and 25th, 2023, we used GPT-3.5 and GPT-4 in five rounds to answer a sample of 77 SAMPs questions from the CFPC website. Two independent certified family physician reviewers scored AI-generated responses twice: first, according to the CFPC answer key (ie, CFPC score), and second, based on their knowledge and other references (ie, Reviews’ score). An ordinal logistic generalised estimating equations (GEE) model was applied to analyse repeated measures across the five rounds. Result According to the CFPC answer key, 607 (73.6%) lines of answers by GPT-3.5 and 691 (81%) by GPT-4 were deemed accurate. Reviewer’s scoring suggested that about 84% of the lines of answers provided by GPT-3.5 and 93% of GPT-4 were correct. The GEE analysis confirmed that over five rounds, the likelihood of achieving a higher CFPC Score Percentage for GPT-4 was 2.31 times more than GPT-3.5 (OR: 2.31; 95% CI: 1.53 to 3.47; p0.001). Similarly, the Reviewers’ Score percentage for responses provided by GPT-4 over 5 rounds were 2.23 times more likely to exceed th