Publications

Global AI Cultures
Rida Qadri
Fernando Diaz
Arjun Subramonian
Sunipa Dev
Georgina Emma Born
Mary L. Gray
Jessica Quaye
Rachel Bergmann
2024-03-07
ICLR.cc/2024/Workshop_Proposals (published)
openreview.net
openreview.net
Integrating Generative and Experimental Platforms or Biomolecular Design
Cheng-Hao Liu
Jarrid Rector-Brooks
Jason Yim
Soojung Yang
Sidney Lisanza
Francesca-Zhoufan Li
Pranam Chatterjee
Tommi Jaakkola
Regina Barzilay
David Baker
Frances H. Arnold
Yoshua Bengio
2024-03-07
ICLR.cc/2024/Workshop_Proposals (published)
openreview.net
openreview.net
Tackling Climate Change with Machine Learning: Fostering the Maturity of ML Applications for Climate Change
Shiva Madadkhani
Olivia Mendivil Ramos
Millie Chapman
Jesse Dunietz
Arthur Ouaknine
David Rolnick
Yoshua Bengio
2024-03-07
ICLR.cc/2024/Workshop_Proposals (published)
openreview.net
openreview.net
Knowledge by omission: the significance of omissions in the 5-choice serial reaction time task
Caroline Vouillac-Mendoza
Audrey Durand
Serge H. Ahmed
Karine Guillem
The 5-choice serial reaction time task (5-CSRTT) is commonly used to assess attention in rodents. Manipulation of this task by decreasing th… (see more)e light stimulus duration is often used to probe attentional capacity and causes a decrease in accuracy and an increase in omissions. However, although a decrease in response accuracy is commonly interpreted as a decrease in attention, it is more difficult to interpret an increase in omissions in terms of attentional performance. Here we present a series of experiments in rats that seeks to investigate the origins of these key behavioral measures of attention in the 5-CSRTT. After an initial training in the 5-CSRTT, rats were tested in a variable stimulus duration procedure to increase task difficulty and probe visual attentional capacity under several specific controlled conditions. We found that response accuracy reflects visuospatial sustained attentional processing, as commonly interpreted, while response omission reflects rats’ ignorance about the stimulus location, presumably due to failure to pay attention to the curved wall during its presentation. Moreover, when rats lack of relevant information, they choose not to respond instead of responding randomly. Overall, our results indicate that response accuracy and response omission thus correspond to two distinct attentional states.
2024-03-05
Psychopharmacology (published)
doi.org
Efficient Causal Graph Discovery Using Large Language Models
Thomas Jiralerspong
Xiaoyin Chen
Yash More
Vedant Shah
Yoshua Bengio
2024-03-04
ICLR.cc/2024/Workshop/AGI (poster)
doi.org
openreview.net
Explicit Knowledge Factorization Meets In-Context Learning: What Do We Gain?
Sarthak Mittal
Eric Elmoznino
Leo Gagnon
Sangnie Bhardwaj
Dhanya Sridhar
Guillaume Lajoie
2024-03-04
ICLR.cc/2024/Workshop/R2-FM (poster)
openreview.net
openreview.net
Optimisation of quantitative brain diffusion-relaxation MRI acquisition protocols with physics-informed machine learning.
Álvaro Planchuelo-Gómez
Maxime Descoteaux
Hugo Larochelle
Jana Hutter
Derek K. Jones
C. Tax
2024-03-04
Medical Image Analysis (published)
doi.org
Plant invasion in Mediterranean Europe: current hotspots and future scenarios
Luigi Cao Pinna
Laure Gallien
Laura J. Pollock
Irena Axmanová
Milan Chytrý
Marco Malavasi
Alicia T. R. Acosta
Juan Antonio Campos
Marta Carboni
The Mediterranean Basin has historically been subject to alien plant invasions that threaten its unique biodiversity. This seasonally dry an… (see more)d densely populated region is undergoing severe climatic and socioeconomic changes, and it is unclear whether these changes will worsen or mitigate plant invasions. Predictions are often biased, as species may not be in equilibrium in the invaded environment, depending on their invasion stage and ecological characteristics. To address future predictions uncertainty, we identified invasion hotspots across multiple biased modelling scenarios and ecological characteristics of successful invaders. We selected 92 alien plant species widespread in Mediterranean Europe and compiled data on their distribution in the Mediterranean and worldwide. We combined these data with environmental and propagule pressure variables to model global and regional species niches, and map their current and future habitat suitability. We identified invasion hotspots, examined their potential future shifts, and compared the results of different modelling strategies. Finally, we generalised our findings by using linear models to determine the traits and biogeographic features of invaders most likely to benefit from global change. Currently, invasion hotspots are found near ports and coastlines throughout Mediterranean Europe. However, many species occupy only a small portion of the environmental conditions to which they are preadapted, suggesting that their invasion is still an ongoing process. Future conditions will lead to declines in many currently widespread aliens, which will tend to move to higher elevations and latitudes. Our trait models indicate that future climates will generally favour species with conservative ecological strategies that can cope with reduced water availability, such as those with short stature and low specific leaf area. Taken together, our results suggest that in future environments, these conservative aliens will move farther from the introduction areas and upslope, threatening mountain ecosystems that have been spared from invasions so far.
2024-03-04
Ecography (published)
doi.org
Smoothness-Adaptive Sharpness-Aware Minimization for Finding Flatter Minima
Hiroki Naganuma
Junhyung Lyle Kim
Anastasios Kyrillidis
Ioannis Mitliagkas
The sharpness-aware minimization (SAM) procedure recently gained increasing attention due to its favorable generalization ability to unseen … (see more)data. SAM aims to find flatter (local) minima, utilizing a minimax objective. An immediate challenge in the application of SAM is the adjustment of two pivotal step sizes, which significantly influence its effectiveness. We introduce a novel, straightforward approach for adjusting step sizes that adapts to the smoothness of the objective function, thereby reducing the necessity for manual tuning. This method, termed Smoothness-Adaptive SAM (SA-SAM), not only simplifies the optimization process but also promotes the method's inherent tendency to converge towards flatter minima, enhancing performance in specific models.
2024-03-04
ICLR.cc/2024/Workshop/PML4LRS (poster)
openreview.net
openreview.net
F$^3$low: Frame-to-Frame Coarse-grained Molecular Dynamics with SE(3) Guided Flow Matching
Shaoning Li
Yusong Wang
Mingyu Li
Bin Shao
Nanning Zheng
Zhang Jian
Jian Tang
2024-03-03
ICLR.cc/2024/Workshop/GEM (poster)
openreview.net
openreview.net
Enhancing and Evaluating Logical Reasoning Abilities of Large Language Models
Shujie Deng
Honghua Dong
Xujie Si
2024-03-03
ICLR.cc/2024/Workshop/SeT_LLM (published)
openreview.net
openreview.net
Fusing Neural and Physical: Augment Protein Conformation Sampling with Tractable Simulations
Jiarui Lu
Zuobai Zhang
Bozitao Zhong
Chence Shi
Jian Tang
The protein dynamics are common and important for their biological functions and properties, the study of which usually involves time-consum… (see more)ing molecular dynamics (MD) simulations *in silico*. Recently, generative models has been leveraged as a surrogate sampler to obtain conformation ensembles with orders of magnitude faster and without requiring any simulation data (a "zero-shot" inference). However, being agnostic of the underlying energy landscape, the accuracy of such generative model may still be limited. In this work, we explore the few-shot setting of such pre-trained generative sampler which incorporates MD simulations in a tractable manner. Specifically, given a target protein of interest, we first acquire some seeding conformations from the pre-trained sampler followed by a number of physical simulations in parallel starting from these seeding samples. Then we fine-tuned the generative model using the simulation trajectories above to become a target-specific sampler. Experimental results demonstrated the superior performance of such few-shot conformation sampler at a tractable computational cost.
2024-03-03
ICLR.cc/2024/Workshop/GEM (poster)
openreview.net
openreview.net