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
Efficient Graphics Representation with Differentiable Indirection
We introduce differentiable indirection – a novel learned primitive that employs differentiable multi-scale lookup tables as an effective … (voir plus)substitute for traditional compute and data operations across the graphics pipeline. We demonstrate its flexibility on a number of graphics tasks, i.e., geometric and image representation, texture mapping, shading, and radiance field representation. In all cases, differentiable indirection seamlessly integrates into existing architectures, trains rapidly, and yields both versatile and efficient results.
The characteristic ``in-plane"bending associated with soft robots' deformation make them preferred over rigid robots in sophisticated manipu… (voir plus)lation and movement tasks. Executing such motion strategies to precision in soft deformable robots and structures is however fraught with modeling and control challenges given their infinite degrees-of-freedom. Imposing \textit{piecewise constant strains} (PCS) across (discretized) Cosserat microsolids on the continuum material however, their dynamics become amenable to tractable mathematical analysis. While this PCS model handles the characteristic difficult-to-model ``in-plane"bending well, its Lagrangian properties are not exploited for control in literature neither is there a rigorous study on the dynamic performance of multisection deformable materials for ``in-plane"bending that guarantees steady-state convergence. In this sentiment, we first establish the PCS model's structural Lagrangian properties. Second, we exploit these for control on various strain goal states. Third, we benchmark our hypotheses against an Octopus-inspired robot arm under different constant tip loads. These induce non-constant ``in-plane"deformation and we regulate strain states throughout the continuum in these configurations. Our numerical results establish convergence to desired equilibrium throughout the continuum in all of our tests. Within the bounds here set, we conjecture that our methods can find wide adoption in the control of cable- and fluid-driven multisection soft robotic arms; and may be extensible to the (learning-based) control of deformable agents employed in simulated, mixed, or augmented reality.
With the increasing effects of climate change, the urgency to step away from fossil fuels is greater than ever before. Electric vehicles (EV… (voir plus)s) are one way to diminish these effects, but their widespread adoption is often limited by the insufficient availability of charging stations. In this work, our goal is to expand the infrastructure of EV charging stations, in order to provide a better quality of service in terms of user satisfaction (and availability of charging stations). Specifically, our focus is directed towards urban areas. We first propose a model for the assignment of EV charging demand to stations, framing it as a maximum flow problem. This model is the basis for the evaluation of user satisfaction with a given charging infrastructure. Secondly, we incorporate the maximum flow model into a mixed‐integer linear program, where decisions on the opening of new stations and on the expansion of their capacity through additional outlets is accounted for. We showcase our methodology for the city of Montreal, demonstrating the scalability of our approach to handle real‐world scenarios. We conclude that considering both spacial and temporal variations in charging demand is meaningful when solving realistic instances.
The surge in electricity use, coupled with the dependency on intermittent renewable energy sources, poses significant hurdles to effectively… (voir plus) managing power grids, particularly during times of peak demand. Demand Response programs and energy conservation measures are essential to operate energy grids while ensuring a responsible use of our resources This research combines distributed optimization using ADMM with Deep Learning models to plan indoor temperature setpoints effectively. A two-layer hierarchical structure is used, with a central building coordinator at the upper layer and local controllers at the thermal zone layer. The coordinator must limit the building's maximum power by translating the building's total power to local power targets for each zone. Local controllers can modify the temperature setpoints to meet the local power targets. The resulting control algorithm, called Distributed Planning Networks, is designed to be both adaptable and scalable to many types of buildings, tackling two of the main challenges in the development of such systems. The proposed approach is tested on an 18-zone building modeled in EnergyPlus. The algorithm successfully manages Demand Response peak events.
In the realm of antibody therapeutics development, increasing the binding affinity of an antibody to its target antigen is a crucial task. T… (voir plus)his paper presents GearBind, a pretrainable deep neural network designed to be effective for in silico affinity maturation. Leveraging multi-level geometric message passing alongside contrastive pretraining on protein structural data, GearBind capably models the complex interplay of atom-level interactions within protein complexes, surpassing previous state-of-the-art approaches on SKEMPI v2 in terms of Pearson correlation, mean absolute error (MAE) and root mean square error (RMSE). In silico experiments elucidate that pretraining helps GearBind become sensitive to mutation-induced binding affinity changes and reflective of amino acid substitution tendency. Using an ensemble model based on pretrained GearBind, we successfully optimize the affinity of CR3022 to the spike (S) protein of the SARS-CoV-2 Omicron strain. Our strategy yields a high success rate with up to 17-fold affinity increase. GearBind proves to be an effective tool in narrowing the search space for in vitro antibody affinity maturation, underscoring the utility of geometric deep learning and adept pre-training in macromolecule interaction modeling.
The common modus operandi of fine-tuning large pre-trained Transformer models entails the adaptation of all their parameters (i.e., full fin… (voir plus)e-tuning). While achieving striking results on multiple tasks, this approach becomes unfeasible as the model size and the number of downstream tasks increase. In natural language processing and computer vision, parameter-efficient approaches like prompt-tuning and adapters have emerged as solid alternatives by fine-tuning only a small number of extra parameters, without sacrificing performance accuracy. For audio classification tasks, the Audio Spectrogram Transformer model shows impressive results. However, surprisingly, how to efficiently adapt it to several downstream tasks has not been tackled before. In this paper, we bridge this gap and present a detailed investigation of common parameter-efficient methods, revealing that adapters and LoRA consistently outperform the other methods across four benchmarks. Whereas adapters prove to be more efficient in few-shot learning settings, LoRA turns out to scale better as we increase the number of learnable parameters. We finally carry out ablation studies to find the best configuration for adapters and LoRA.