AI For Global Climate Cooperation 2023 Competition Proceedings

The international community must collaborate to mitigate climate change and sustain economic growth. However, collaboration is hard to achieve, partly because no global authority can ensure compliance with international climate agreements. Combining AI with climate-economic simulations offers a promising solution to design international frameworks, including negotiation protocols and climate agreements, that promote and incentivize collaboration. In addition, these frameworks should also have policy goals fulfillment, and sustained commitment, taking into account climate-economic dynamics and strategic behaviors. These challenges require an interdisciplinary approach across machine learning, economics, climate science, law, policy, ethics, and other fields. Towards this objective, we organized AI for Global Climate Cooperation, a Mila competition in which teams submitted proposals and analyses of international frameworks, based on (modifications of) RICE-N, an AI-driven integrated assessment model (IAM). In particular, RICE-N supports modeling regional decision-making using AI agents. Furthermore, the IAM then models the climate-economic impact of those decisions into the future. Whereas the first track focused only on performance metrics, the proposals submitted to the second track were evaluated both quantitatively and qualitatively. The quantitative evaluation focused on a combination of (i) the degree of mitigation of global temperature rise and (ii) the increase in economic productivity. On the other hand, an interdisciplinary panel of human experts in law, policy, sociology, economics and environmental science, evaluated the solutions qualitatively. In particular, the panel considered the effectiveness, simplicity, feasibility, ethics, and notions of climate justice of the protocols. In the third track, the participants were asked to critique and improve RICE-N.

Simulation-free Schrödinger bridges via score and flow matching

We present simulation-free score and flow matching ([SF]$^2$M), a simulation-free objective for inferring stochastic dynamics given unpaired source and target samples drawn from arbitrary distributions. Our method generalizes both the score-matching loss used in the training of diffusion models and the recently proposed flow matching loss used in the training of continuous normalizing flows. [SF]$^2$M interprets continuous-time stochastic generative modeling as a Schr\"odinger bridge (SB) problem. It relies on static entropy-regularized optimal transport, or a minibatch approximation, to efficiently learn the SB without simulating the learned stochastic process. We find that [SF]$^2$M is more efficient and gives more accurate solutions to the SB problem than simulation-based methods from prior work. Finally, we apply [SF]$^2$M to the problem of learning cell dynamics from snapshot data. Notably, [SF]$^2$M is the first method to accurately model cell dynamics in high dimensions and can recover known gene regulatory networks from simulated data.

Generative Flow Networks: a Markov Chain Perspective

While Markov chain Monte Carlo methods (MCMC) provide a general framework to sample from a probability distribution defined up to normalization, they often suffer from slow convergence to the target distribution when the latter is highly multi-modal. Recently, Generative Flow Networks (GFlowNets) have been proposed as an alternative framework to mitigate this issue when samples have a clear compositional structure, by treating sampling as a sequential decision making problem. Although they were initially introduced from the perspective of flow networks, the recent advances of GFlowNets draw more and more inspiration from the Markov chain literature, bypassing completely the need for flows. In this paper, we formalize this connection and offer a new perspective for GFlowNets using Markov chains, showing a unifying view for GFlowNets regardless of the nature of the state space as recurrent Markov chains. Positioning GFlowNets under the same theoretical framework as MCMC methods also allows us to identify the similarities between both frameworks, and most importantly to highlight their

Thompson sampling for improved exploration in GFlowNets

Generative flow networks (GFlowNets) are amortized variational inference algorithms that treat sampling from a distribution over compositional objects as a sequential decision-making problem with a learnable action policy. Unlike other algorithms for hierarchical sampling that optimize a variational bound, GFlowNet algorithms can stably run off-policy, which can be advantageous for discovering modes of the target distribution. Despite this flexibility in the choice of behaviour policy, the optimal way of efficiently selecting trajectories for training has not yet been systematically explored. In this paper, we view the choice of trajectories for training as an active learning problem and approach it using Bayesian techniques inspired by methods for multi-armed bandits. The proposed algorithm, Thompson sampling GFlowNets (TS-GFN), maintains an approximate posterior distribution over policies and samples trajectories from this posterior for training. We show in two domains that TS-GFN yields improved exploration and thus faster convergence to the target distribution than the off-policy exploration strategies used in past work.

HyenaDNA: Long-Range Genomic Sequence Modeling at Single Nucleotide Resolution

Genomic (DNA) sequences encode an enormous amount of information for gene regulation and protein synthesis. Similar to natural language models, researchers have proposed foundation models in genomics to learn generalizable features from unlabeled genome data that can then be fine-tuned for downstream tasks such as identifying regulatory elements. Due to the quadratic scaling of attention, previous Transformer-based genomic models have used 512 to 4k tokens as context (<0.001% of the human genome), significantly limiting the modeling of long-range interactions in DNA. In addition, these methods rely on tokenizers to aggregate meaningful DNA units, losing single nucleotide resolution where subtle genetic variations can completely alter protein function via single nucleotide polymorphisms (SNPs). Recently, Hyena, a large language model based on implicit convolutions was shown to match attention in quality while allowing longer context lengths and lower time complexity. Leveraging Hyenas new long-range capabilities, we present HyenaDNA, a genomic foundation model pretrained on the human reference genome with context lengths of up to 1 million tokens at the single nucleotide-level, an up to 500x increase over previous dense attention-based models. HyenaDNA scales sub-quadratically in sequence length (training up to 160x faster than Transformer), uses single nucleotide tokens, and has full global context at each layer. We explore what longer context enables - including the first use of in-context learning in genomics for simple adaptation to novel tasks without updating pretrained model weights. On fine-tuned benchmarks from the Nucleotide Transformer, HyenaDNA reaches state-of-the-art (SotA) on 12 of 17 datasets using a model with orders of magnitude less parameters and pretraining data. On the GenomicBenchmarks, HyenaDNA surpasses SotA on all 8 datasets on average by +9 accuracy points.

BatchGFN: Generative Flow Networks for Batch Active Learning

We introduce BatchGFN -- a novel approach for pool-based active learning that uses generative flow networks to sample sets of data points proportional to a batch reward. With an appropriate reward function to quantify the utility of acquiring a batch, such as the joint mutual information between the batch and the model parameters, BatchGFN is able to construct highly informative batches for active learning in a principled way. We show our approach enables sampling near-optimal utility batches at inference time with a single forward pass per point in the batch in toy regression problems. This alleviates the computational complexity of batch-aware algorithms and removes the need for greedy approximations to find maximizers for the batch reward. We also present early results for amortizing training across acquisition steps, which will enable scaling to real-world tasks.

Constant Memory Attention Block

Modern foundation model architectures rely on attention mechanisms to effectively capture context. However, these methods require linear or quadratic memory in terms of the number of inputs/datapoints, limiting their applicability in low-compute domains. In this work, we propose Constant Memory Attention Block (CMAB), a novel general-purpose attention block that computes its output in constant memory and performs updates in constant computation. Highlighting CMABs efficacy, we introduce methods for Neural Processes and Temporal Point Processes. Empirically, we show our proposed methods achieve results competitive with state-of-the-art while being significantly more memory efficient.

Multi-Fidelity Active Learning with GFlowNets

In the last decades, the capacity to generate large amounts of data in science and engineering applications has been growing steadily. Meanwhile, the progress in machine learning has turned it into a suitable tool to process and utilise the available data. Nonetheless, many relevant scientific and engineering problems present challenges where current machine learning methods cannot yet efficiently leverage the available data and resources. For example, in scientific discovery, we are often faced with the problem of exploring very large, high-dimensional spaces, where querying a high fidelity, black-box objective function is very expensive. Progress in machine learning methods that can efficiently tackle such problems would help accelerate currently crucial areas such as drug and materials discovery. In this paper, we propose the use of GFlowNets for multi-fidelity active learning, where multiple approximations of the black-box function are available at lower fidelity and cost. GFlowNets are recently proposed methods for amortised probabilistic inference that have proven efficient for exploring large, high-dimensional spaces and can hence be practical in the multi-fidelity setting too. Here, we describe our algorithm for multi-fidelity active learning with GFlowNets and evaluate its performance in both well-studied synthetic tasks and practically relevant applications of molecular discovery. Our results show that multi-fidelity active learning with GFlowNets can efficiently leverage the availability of multiple oracles with different costs and fidelities to accelerate scientific discovery and engineering design.

GEO-Bench: Toward Foundation Models for Earth Monitoring

Recent progress in self-supervision has shown that pre-training large neural networks on vast amounts of unsupervised data can lead to substantial increases in generalization to downstream tasks. Such models, recently coined foundation models, have been transformational to the field of natural language processing. Variants have also been proposed for image data, but their applicability to remote sensing tasks is limited. To stimulate the development of foundation models for Earth monitoring, we propose a benchmark comprised of six classification and six segmentation tasks, which were carefully curated and adapted to be both relevant to the field and well-suited for model evaluation. We accompany this benchmark with a robust methodology for evaluating models and reporting aggregated results to enable a reliable assessment of progress. Finally, we report results for 20 baselines to gain information about the performance of existing models. We believe that this benchmark will be a driver of progress across a variety of Earth monitoring tasks.

Cycle Consistency Driven Object Discovery

Developing deep learning models that effectively learn object-centric representations, akin to human cognition, remains a challenging task. Existing approaches have explored slot-based methods utilizing architectural priors or auxiliary information such as depth maps or flow maps to facilitate object discovery by representing objects as fixed-size vectors, called ``slots'' or ``object files''. However, reliance on architectural priors introduces unreliability and requires meticulous engineering to identify the correct objects. Likewise, methods relying on auxiliary information are suboptimal as such information is often unavailable for most natural scenes. To address these limitations, we propose a method that explicitly optimizes the constraint that each object in a scene should be mapped to a distinct slot. We formalize this constraint by introducing consistency objectives which are cyclic in nature. We refer to them as the \textit{cycle-consistency} objectives. By applying these consistency objectives to various existing slot-based object-centric methods, we demonstrate significant enhancements in object-discovery performance. These improvements are consistent across both synthetic and real-world scenes, highlighting the effectiveness and generalizability of the proposed approach. Furthermore, our experiments show that the learned slots from the proposed method exhibit superior suitability for downstream reinforcement learning (RL) tasks.