Generalizing to any diverse distribution: uniformity, gentle finetuning and rebalancing

Authors: Loukas, Andreas, Martinkus, Karolis, Wagstaff, Ed, Cho, Kyunghyun

Subject Terms: Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2410.05980

Implicitly Guided Design with PropEn: Match your Data to Follow the Gradient

Authors: Tagasovska, Nataša, Gligorijević, Vladimir, Cho, Kyunghyun, Loukas, Andreas

Subject Terms: Computer Science - Machine Learning, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2405.18075

AbDiffuser: Full-Atom Generation of in vitro Functioning Antibodies

Authors: Martinkus, Karolis, Ludwiczak, Jan, Cho, Kyunghyun, Liang, Wei-Ching, Lafrance-Vanasse, Julien, Hotzel, Isidro, Rajpal, Arvind, Wu, Yan, Bonneau, Richard, Gligorijevic, Vladimir, Loukas, Andreas

Subject Terms: Quantitative Biology - Biomolecules, Computer Science - Machine Learning, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2308.05027

Generalization within in silico screening

Authors: Loukas, Andreas, Kessel, Pan, Gligorijevic, Vladimir, Bonneau, Richard

Subject Terms: Statistics - Machine Learning, Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2307.09379

Protein Discovery with Discrete Walk-Jump Sampling

Authors: Frey, Nathan C., Berenberg, Daniel, Zadorozhny, Karina, Kleinhenz, Joseph, Lafrance-Vanasse, Julien, Hotzel, Isidro, Wu, Yan, Ra, Stephen, Bonneau, Richard, Cho, Kyunghyun, Loukas, Andreas, Gligorijevic, Vladimir, Saremi, Saeed

Source: The Twelfth International Conference on Learning Representations, 2024

Subject Terms: Quantitative Biology - Biomolecules, Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2306.12360

Infusing Lattice Symmetry Priors in Attention Mechanisms for Sample-Efficient Abstract Geometric Reasoning

Authors: Atzeni, Mattia, Sachan, Mrinmaya, Loukas, Andreas

Subject Terms: Computer Science - Artificial Intelligence, Computer Science - Machine Learning, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2306.03175

Towards Understanding and Improving GFlowNet Training

Authors: Shen, Max W., Bengio, Emmanuel, Hajiramezanali, Ehsan, Loukas, Andreas, Cho, Kyunghyun, Biancalani, Tommaso

Subject Terms: Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2305.07170

Conditional Diffusion with Less Explicit Guidance via Model Predictive Control

Authors: Shen, Max W., Hajiramezanali, Ehsan, Scalia, Gabriele, Tseng, Alex, Diamant, Nathaniel, Biancalani, Tommaso, Loukas, Andreas

Subject Terms: Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2210.12192

A Pareto-optimal compositional energy-based model for sampling and optimization of protein sequences

Authors: Tagasovska, Nataša, Frey, Nathan C., Loukas, Andreas, Hötzel, Isidro, Lafrance-Vanasse, Julien, Kelly, Ryan Lewis, Wu, Yan, Rajpal, Arvind, Bonneau, Richard, Cho, Kyunghyun, Ra, Stephen, Gligorijević, Vladimir

Subject Terms: Computer Science - Machine Learning, Quantitative Biology - Quantitative Methods

Access URL: http://arxiv.org/abs/2210.10838

On the generalization of learning algorithms that do not converge

Authors: Chandramoorthy, Nisha, Loukas, Andreas, Gatmiry, Khashayar, Jegelka, Stefanie

Subject Terms: Computer Science - Machine Learning, Mathematics - Dynamical Systems, Mathematics - Optimization and Control, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2208.07951

Neural Set Function Extensions: Learning with Discrete Functions in High Dimensions

Authors: Karalias, Nikolaos, Robinson, Joshua, Loukas, Andreas, Jegelka, Stefanie

Subject Terms: Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2208.04055

SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators

Authors: Martinkus, Karolis, Loukas, Andreas, Perraudin, Nathanaël, Wattenhofer, Roger

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2204.01613

Exploring “dark-matter” protein folds using deep learning

Authors: Harteveld, Zander ^{1, 2, 6}, Van Hall-Beauvais, Alexandra ^{1, 2, 6}, Morozova, Irina ¹, Southern, Joshua ³, Goverde, Casper ^{1, 2}, Georgeon, Sandrine ¹, Rosset, Stéphane ¹, Defferrard, Michëal ¹, Loukas, Andreas ^{1, 5}, Vandergheynst, Pierre ¹, Bronstein, Michael M. ⁴, Correia, Bruno E. ^{1, 2, 7, ∗}

Source: In Cell Systems 16 October 2024 15(10):898-910

SQALER: Scaling Question Answering by Decoupling Multi-Hop and Logical Reasoning

Authors: Atzeni, Mattia, Bogojeska, Jasmina, Loukas, Andreas

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence, Computer Science - Computation and Language, Computer Science - Information Retrieval

Access URL: http://arxiv.org/abs/2110.14266

Partition and Code: learning how to compress graphs

Authors: Bouritsas, Giorgos, Loukas, Andreas, Karalias, Nikolaos, Bronstein, Michael M.

Source: Proc. Adv. Neur. Inf. Process. Syst. (NeurIPS) vol. 34 pp. 18603 - 18619 (2021)

Subject Terms: Computer Science - Machine Learning, Computer Science - Information Theory, Computer Science - Social and Information Networks, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2107.01952

What training reveals about neural network complexity

Authors: Loukas, Andreas, Poiitis, Marinos, Jegelka, Stefanie

Subject Terms: Computer Science - Machine Learning, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2106.04186

Attention is Not All You Need: Pure Attention Loses Rank Doubly Exponentially with Depth

Authors: Dong, Yihe, Cordonnier, Jean-Baptiste, Loukas, Andreas

Subject Terms: Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2103.03404

Multi-Head Attention: Collaborate Instead of Concatenate

Authors: Cordonnier, Jean-Baptiste, Loukas, Andreas, Jaggi, Martin

Subject Terms: Computer Science - Machine Learning, Computer Science - Computation and Language, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2006.16362

Building powerful and equivariant graph neural networks with structural message-passing

Authors: Vignac, Clement, Loukas, Andreas, Frossard, Pascal

Subject Terms: Computer Science - Machine Learning, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2006.15107

Erdos Goes Neural: an Unsupervised Learning Framework for Combinatorial Optimization on Graphs

Authors: Karalias, Nikolaos, Loukas, Andreas

Subject Terms: Computer Science - Machine Learning, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2006.10643