Prateek Gupta

Prateek Gupta, Elias B. Khalil, Didier Chetélat et al. · utoronto

The expressive and computationally inexpensive bipartite Graph Neural Networks (GNN) have been shown to be an important component of deep learning based Mixed-Integer Linear Program (MILP) solvers. Recent works have demonstrated the effectiveness of such GNNs in replacing the branching (variable selection) heuristic in branch-and-bound (B&B) solvers. These GNNs are trained, offline and on a collection of MILPs, to imitate a very good but computationally expensive branching heuristic, strong branching. Given that B&B results in a tree of sub-MILPs, we ask (a) whether there are strong dependencies exhibited by the target heuristic among the neighboring nodes of the B&B tree, and (b) if so, whether we can incorporate them in our training procedure. Specifically, we find that with the strong branching heuristic, a child node's best choice was often the parent's second-best choice. We call this the "lookback" phenomenon. Surprisingly, the typical branching GNN of Gasse et al. (2019) often misses this simple "answer". To imitate the target behavior more closely by incorporating the lookback phenomenon in GNNs, we propose two methods: (a) target smoothing for the standard cross-entropy loss function, and (b) adding a Parent-as-Target (PAT) Lookback regularizer term. Finally, we propose a model selection framework to incorporate harder-to-formulate objectives such as solving time in the final models. Through extensive experimentation on standard benchmark instances, we show that our proposal results in up to 22% decrease in the size of the B&B tree and up to 15% improvement in the solving times.

Alexander H. Liu, Alexis Tacnet, Andy Ehrenberg et al. · deepmind, tsinghua

We introduce Voxtral TTS, an expressive multilingual text-to-speech model that generates natural speech from as little as 3 seconds of reference audio. Voxtral TTS adopts a hybrid architecture that combines auto-regressive generation of semantic speech tokens with flow-matching for acoustic tokens. These tokens are encoded and decoded with Voxtral Codec, a speech tokenizer trained from scratch with a hybrid VQ-FSQ quantization scheme. In human evaluations conducted by native speakers, Voxtral TTS is preferred for multilingual voice cloning due to its naturalness and expressivity, achieving a 68.4\% win rate over ElevenLabs Flash v2.5. We release the model weights under a CC BY-NC license.

Tianyu Zhang, Andrew Williams, Soham Phade et al.

Comprehensive global cooperation is essential to limit global temperature increases while continuing economic development, e.g., reducing severe inequality or achieving long-term economic growth. Achieving long-term cooperation on climate change mitigation with n strategic agents poses a complex game-theoretic problem. For example, agents may negotiate and reach climate agreements, but there is no central authority to enforce adherence to those agreements. Hence, it is critical to design negotiation and agreement frameworks that foster cooperation, allow all agents to meet their individual policy objectives, and incentivize long-term adherence. This is an interdisciplinary challenge that calls for collaboration between researchers in machine learning, economics, climate science, law, policy, ethics, and other fields. In particular, we argue that machine learning is a critical tool to address the complexity of this domain. To facilitate this research, here we introduce RICE-N, a multi-region integrated assessment model that simulates the global climate and economy, and which can be used to design and evaluate the strategic outcomes for different negotiation and agreement frameworks. We also describe how to use multi-agent reinforcement learning to train rational agents using RICE-N. This framework underpinsAI for Global Climate Cooperation, a working group collaboration and competition on climate negotiation and agreement design. Here, we invite the scientific community to design and evaluate their solutions using RICE-N, machine learning, economic intuition, and other domain knowledge. More information can be found on www.ai4climatecoop.org.

Hiromu Yakura, Ezequiel Lopez-Lopez, Levin Brinkmann et al.

From the invention of writing and the printing press, to television and social media, human history is punctuated by major innovations in communication technology, which fundamentally altered how ideas spread and reshaped our culture. Recent chatbots powered by generative artificial intelligence constitute a novel medium that encodes cultural patterns in their neural representations and disseminates them in conversations with hundreds of millions of people. Understanding whether these patterns transmit into human language, and ultimately shape human culture, is a fundamental question. While fully quantifying the causal impact of a chatbot like ChatGPT on human culture is very challenging, lexicographic shift in human spoken communication may offer an early indicator of such broad phenomenon. Here, we apply econometric causal inference techniques to 740,249 hours of human discourse from 360,445 YouTube academic talks and 771,591 conversational podcast episodes across multiple disciplines. We detect a measurable and abrupt increase in the use of words preferentially generated by ChatGPT, such as delve, comprehend, boast, swift, and meticulous, after its release. These findings suggest a scenario where machines, originally trained on human data and subsequently exhibiting their own cultural traits, can, in turn, measurably reshape human culture. This marks the beginning of a closed cultural feedback loop in which cultural traits circulate bidirectionally between humans and machines. Our results motivate further research into the evolution of human-machine culture, and raise concerns over the erosion of linguistic and cultural diversity, and the risks of scalable manipulation.

Shashank Saxena, Jan-Hendrik Bastek, Miguel Spinola et al.

Overcoming the time scale limitations of atomistics can be achieved by switching from the state-space representation of Molecular Dynamics (MD) to a statistical-mechanics-based representation in phase space, where approximations such as maximum-entropy or Gaussian phase packets (GPP) evolve the atomistic ensemble in a time-coarsened fashion. In practice, this requires the computation of expensive high-dimensional integrals over all of phase space of an atomistic ensemble. This, in turn, is commonly accomplished efficiently by low-order numerical quadrature. We show that numerical quadrature in this context, unfortunately, comes with a set of inherent problems, which corrupt the accuracy of simulations -- especially when dealing with crystal lattices with imperfections. As a remedy, we demonstrate that Graph Neural Networks, trained on Monte-Carlo data, can serve as a replacement for commonly used numerical quadrature rules, overcoming their deficiencies and significantly improving the accuracy. This is showcased by three benchmarks: the thermal expansion of copper, the martensitic phase transition of iron, and the energy of grain boundaries. We illustrate the benefits of the proposed technique over classically used third- and fifth-order Gaussian quadrature, we highlight the impact on time-coarsened atomistic predictions, and we discuss the computational efficiency. The latter is of general importance when performing frequent evaluation of phase space or other high-dimensional integrals, which is why the proposed framework promises applications beyond the scope of atomistics.

Yoshua Bengio, Prateek Gupta, Lu Li et al.

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.

Danish Patel, Prateek Gupta, Carlo Scalo et al.

We present a numerical method to determine the complex acoustic impedance at the open surface of an arbitrarily shaped cavity, associated to an impinging planar acoustic wave with a given wavenumber vector and frequency. We have achieved this by developing the first inverse Helmholtz Solver (iHS), which implicitly reconstructs the complex acoustic waveform--at a given frequency--up to the unknown impedance boundary, hereby providing the spatial distribution of impedance as a result of the calculation for that given frequency. We show that the algebraic closure conditions required by the inverse Helmholtz problem are physically related to the assignment of the spatial distribution of the pressure phase over the unknown impedance boundary. The iHS is embarrassingly parallelizable over the frequency domain allowing for the straightforward determination of the full broadband impedance at every point of the target boundary. In this paper, we restrict our analysis to two-dimensions only. We first validate our results against Rott's quasi one-dimensional thermoacoustic theory for viscid and inviscid constant-area rectangular ducts, test our iHS in a fully unstructured fashion with a geometrically complex cavity, and finally, present a simplified, two-dimensional analysis of a sample of carbon-carbon ultrasonically absorptive coatings (C/C UACs) manufactured in DLR-Stuttgart, and used in the hypersonic transition delay experiments by Wagner et al. in AIAA 2012-5865. The final goal is to model C/C UACs with multi-oscillator Time Domain Impedance Boundary Conditions (TDIBC) developed by Lin et al. in JFM (2016) to be applied in direct numerical simulations (DNS) focused on the overlying boundary layer, eliminating the need to simultaneously resolve the microscopic porous structure of the C/C UACs.

Prateek Gupta, Maxime Gasse, Elias B. Khalil et al.

A recent Graph Neural Network (GNN) approach for learning to branch has been shown to successfully reduce the running time of branch-and-bound algorithms for Mixed Integer Linear Programming (MILP). While the GNN relies on a GPU for inference, MILP solvers are purely CPU-based. This severely limits its application as many practitioners may not have access to high-end GPUs. In this work, we ask two key questions. First, in a more realistic setting where only a CPU is available, is the GNN model still competitive? Second, can we devise an alternate computationally inexpensive model that retains the predictive power of the GNN architecture? We answer the first question in the negative, and address the second question by proposing a new hybrid architecture for efficient branching on CPU machines. The proposed architecture combines the expressive power of GNNs with computationally inexpensive multi-layer perceptrons (MLP) for branching. We evaluate our methods on four classes of MILP problems, and show that they lead to up to 26% reduction in solver running time compared to state-of-the-art methods without a GPU, while extrapolating to harder problems than it was trained on. The code for this project is publicly available at https://github.com/pg2455/Hybrid-learn2branch.

Karsten Roth, Timo Milbich, Samarth Sinha et al.

Deep Metric Learning (DML) is arguably one of the most influential lines of research for learning visual similarities with many proposed approaches every year. Although the field benefits from the rapid progress, the divergence in training protocols, architectures, and parameter choices make an unbiased comparison difficult. To provide a consistent reference point, we revisit the most widely used DML objective functions and conduct a study of the crucial parameter choices as well as the commonly neglected mini-batch sampling process. Under consistent comparison, DML objectives show much higher saturation than indicated by literature. Further based on our analysis, we uncover a correlation between the embedding space density and compression to the generalization performance of DML models. Exploiting these insights, we propose a simple, yet effective, training regularization to reliably boost the performance of ranking-based DML models on various standard benchmark datasets. Code and a publicly accessible WandB-repo are available at https://github.com/Confusezius/Revisiting_Deep_Metric_Learning_PyTorch.

Ziyi Yang, Zaibin Zhang, Zirui Zheng et al.

There has been a growing interest in enhancing rule-based agent-based models (ABMs) for social media platforms (i.e., X, Reddit) with more realistic large language model (LLM) agents, thereby allowing for a more nuanced study of complex systems. As a result, several LLM-based ABMs have been proposed in the past year. While they hold promise, each simulator is specifically designed to study a particular scenario, making it time-consuming and resource-intensive to explore other phenomena using the same ABM. Additionally, these models simulate only a limited number of agents, whereas real-world social media platforms involve millions of users. To this end, we propose OASIS, a generalizable and scalable social media simulator. OASIS is designed based on real-world social media platforms, incorporating dynamically updated environments (i.e., dynamic social networks and post information), diverse action spaces (i.e., following, commenting), and recommendation systems (i.e., interest-based and hot-score-based). Additionally, OASIS supports large-scale user simulations, capable of modeling up to one million users. With these features, OASIS can be easily extended to different social media platforms to study large-scale group phenomena and behaviors. We replicate various social phenomena, including information spreading, group polarization, and herd effects across X and Reddit platforms. Moreover, we provide observations of social phenomena at different agent group scales. We observe that the larger agent group scale leads to more enhanced group dynamics and more diverse and helpful agents' opinions. These findings demonstrate OASIS's potential as a powerful tool for studying complex systems in digital environments.

Maksym Korablyov, Cheng-Hao Liu, Moksh Jain et al. · mila

Despite substantial progress in machine learning for scientific discovery in recent years, truly de novo design of small molecules which exhibit a property of interest remains a significant challenge. We introduce LambdaZero, a generative active learning approach to search for synthesizable molecules. Powered by deep reinforcement learning, LambdaZero learns to search over the vast space of molecules to discover candidates with a desired property. We apply LambdaZero with molecular docking to design novel small molecules that inhibit the enzyme soluble Epoxide Hydrolase 2 (sEH), while enforcing constraints on synthesizability and drug-likeliness. LambdaZero provides an exponential speedup in terms of the number of calls to the expensive molecular docking oracle, and LambdaZero de novo designed molecules reach docking scores that would otherwise require the virtual screening of a hundred billion molecules. Importantly, LambdaZero discovers novel scaffolds of synthesizable, drug-like inhibitors for sEH. In in vitro experimental validation, a series of ligands from a generated quinazoline-based scaffold were synthesized, and the lead inhibitor N-(4,6-di(pyrrolidin-1-yl)quinazolin-2-yl)-N-methylbenzamide (UM0152893) displayed sub-micromolar enzyme inhibition of sEH.

Alexander H. Liu, Andy Ehrenberg, Andy Lo et al.

We introduce Voxtral Realtime, a natively streaming automatic speech recognition model that matches offline transcription quality at sub-second latency. Unlike approaches that adapt offline models through chunking or sliding windows, Voxtral Realtime is trained end-to-end for streaming, with explicit alignment between audio and text streams. Our architecture builds on the Delayed Streams Modeling framework, introducing a new causal audio encoder and Ada RMS-Norm for improved delay conditioning. We scale pretraining to a large-scale dataset spanning 13 languages. At a delay of 480ms, Voxtral Realtime achieves performance on par with Whisper, the most widely deployed offline transcription system. We release the model weights under the Apache 2.0 license.

Prateek Gupta, Qiankun Zhong, Hiromu Yakura et al.

A growing body of multi-agent studies with Large Language Models (LLMs) explores how norms and cooperation emerge in mixed-motive scenarios, where pursuing individual gain can undermine the collective good. While prior work has explored these dynamics in both richly contextualized simulations and simplified game-theoretic environments, most LLM systems featuring common-pool resource (CPR) games provide agents with explicit reward functions directly tied to their actions. In contrast, human cooperation often emerges without full visibility into payoffs and population, relying instead on heuristics, communication, and punishment. We introduce a CPR simulation framework that removes explicit reward signals and embeds cultural-evolutionary mechanisms: social learning (adopting strategies and beliefs from successful peers) and norm-based punishment, grounded in Ostrom's principles of resource governance. Agents also individually learn from the consequences of harvesting, monitoring, and punishing via environmental feedback, enabling norms to emerge endogenously. We establish the validity of our simulation by reproducing key findings from existing studies on human behavior. Building on this, we examine norm evolution across a $2\times2$ grid of environmental and social initialisations (resource-rich vs. resource-scarce; altruistic vs. selfish) and benchmark how agentic societies comprised of different LLMs perform under these conditions. Our results reveal systematic model differences in sustaining cooperation and norm formation, positioning the framework as a rigorous testbed for studying emergent norms in mixed-motive LLM societies. Such analysis can inform the design of AI systems deployed in social and organizational contexts, where alignment with cooperative norms is critical for stability, fairness, and effective governance of AI-mediated environments.

Vladimir Maksimenko, Qingyao Xin, Prateek Gupta et al.

Nudge strategies are effective tools for influencing behaviour, but their impact depends on individual preferences. Strategies that work for some individuals may be counterproductive for others. We hypothesize that large language models (LLMs) can facilitate the design of individual-specific nudges without the need for costly and time-intensive behavioural data collection and modelling. To test this, we use LLMs to design personalized decoy-based nudges tailored to individual profiles and cultural contexts, aimed at encouraging air travellers to voluntarily offset CO$_2$ emissions from flights. We evaluate their effectiveness through a large-scale survey experiment ($n=3495$) conducted across five countries. Results show that LLM-informed personalized nudges are more effective than uniform settings, raising offsetting rates by 3-7$\%$ in Germany, Singapore, and the US, though not in China or India. Our study highlights the potential of LLM as a low-cost testbed for piloting nudge strategies. At the same time, cultural heterogeneity constrains their generalizability underscoring the need for combining LLM-based simulations with targeted empirical validation.

Andrea E. V. Ferrari, Prateek Gupta, Nabil Iqbal

The notion of duality -- that a given physical system can have two different mathematical descriptions -- is a key idea in modern theoretical physics. Establishing a duality in lattice statistical mechanics models requires the construction of a dual Hamiltonian and a map from the original to the dual observables. By using simple neural networks to parameterize these maps and introducing a loss function that penalises the difference between correlation functions in original and dual models, we formulate the process of duality discovery as an optimization problem. We numerically solve this problem and show that our framework can rediscover the celebrated Kramers-Wannier duality for the 2d Ising model, reconstructing the known mapping of temperatures. We also discuss an alternative approach which uses known features of the mapping of topological lines to reduce the problem to optimizing the couplings in a dual Hamiltonian, and explore next-to-nearest neighbour deformations of the 2d Ising duality. We discuss future directions and prospects for discovering new dualities within this framework.

Prateek Gupta, Adil Rasheed, Sverre Steen

The hydrodynamic performance of a sea-going ship varies over its lifespan due to factors like marine fouling and the condition of the anti-fouling paint system. In order to accurately estimate the power demand and fuel consumption for a planned voyage, it is important to assess the hydrodynamic performance of the ship. The current work uses machine-learning (ML) methods to estimate the hydrodynamic performance of a ship using the onboard recorded in-service data. Three ML methods, NL-PCR, NL-PLSR and probabilistic ANN, are calibrated using the data from two sister ships. The calibrated models are used to extract the varying trend in ship's hydrodynamic performance over time and predict the change in performance through several propeller and hull cleaning events. The predicted change in performance is compared with the corresponding values estimated using the fouling friction coefficient ($ΔC_F$). The ML methods are found to be performing well while modelling the hydrodynamic state variables of the ships with probabilistic ANN model performing the best, but the results from NL-PCR and NL-PLSR are not far behind, indicating that it may be possible to use simple methods to solve such problems with the help of domain knowledge.

Prateek Gupta, Tegan Maharaj, Martin Weiss et al.

The rapid global spread of COVID-19 has led to an unprecedented demand for effective methods to mitigate the spread of the disease, and various digital contact tracing (DCT) methods have emerged as a component of the solution. In order to make informed public health choices, there is a need for tools which allow evaluation and comparison of DCT methods. We introduce an agent-based compartmental simulator we call COVI-AgentSim, integrating detailed consideration of virology, disease progression, social contact networks, and mobility patterns, based on parameters derived from empirical research. We verify by comparing to real data that COVI-AgentSim is able to reproduce realistic COVID-19 spread dynamics, and perform a sensitivity analysis to verify that the relative performance of contact tracing methods are consistent across a range of settings. We use COVI-AgentSim to perform cost-benefit analyses comparing no DCT to: 1) standard binary contact tracing (BCT) that assigns binary recommendations based on binary test results; and 2) a rule-based method for feature-based contact tracing (FCT) that assigns a graded level of recommendation based on diverse individual features. We find all DCT methods consistently reduce the spread of the disease, and that the advantage of FCT over BCT is maintained over a wide range of adoption rates. Feature-based methods of contact tracing avert more disability-adjusted life years (DALYs) per socioeconomic cost (measured by productive hours lost). Our results suggest any DCT method can help save lives, support re-opening of economies, and prevent second-wave outbreaks, and that FCT methods are a promising direction for enriching BCT using self-reported symptoms, yielding earlier warning signals and a significantly reduced spread of the virus per socioeconomic cost.

Yoshua Bengio, Prateek Gupta, Tegan Maharaj et al.

The COVID-19 pandemic has spread rapidly worldwide, overwhelming manual contact tracing in many countries and resulting in widespread lockdowns for emergency containment. Large-scale digital contact tracing (DCT) has emerged as a potential solution to resume economic and social activity while minimizing spread of the virus. Various DCT methods have been proposed, each making trade-offs between privacy, mobility restrictions, and public health. The most common approach, binary contact tracing (BCT), models infection as a binary event, informed only by an individual's test results, with corresponding binary recommendations that either all or none of the individual's contacts quarantine. BCT ignores the inherent uncertainty in contacts and the infection process, which could be used to tailor messaging to high-risk individuals, and prompt proactive testing or earlier warnings. It also does not make use of observations such as symptoms or pre-existing medical conditions, which could be used to make more accurate infectiousness predictions. In this paper, we use a recently-proposed COVID-19 epidemiological simulator to develop and test methods that can be deployed to a smartphone to locally and proactively predict an individual's infectiousness (risk of infecting others) based on their contact history and other information, while respecting strong privacy constraints. Predictions are used to provide personalized recommendations to the individual via an app, as well as to send anonymized messages to the individual's contacts, who use this information to better predict their own infectiousness, an approach we call proactive contact tracing (PCT). We find a deep-learning based PCT method which improves over BCT for equivalent average mobility, suggesting PCT could help in safe re-opening and second-wave prevention.

Hannah Alsdurf, Edmond Belliveau, Yoshua Bengio et al.

The SARS-CoV-2 (Covid-19) pandemic has caused significant strain on public health institutions around the world. Contact tracing is an essential tool to change the course of the Covid-19 pandemic. Manual contact tracing of Covid-19 cases has significant challenges that limit the ability of public health authorities to minimize community infections. Personalized peer-to-peer contact tracing through the use of mobile apps has the potential to shift the paradigm. Some countries have deployed centralized tracking systems, but more privacy-protecting decentralized systems offer much of the same benefit without concentrating data in the hands of a state authority or for-profit corporations. Machine learning methods can circumvent some of the limitations of standard digital tracing by incorporating many clues and their uncertainty into a more graded and precise estimation of infection risk. The estimated risk can provide early risk awareness, personalized recommendations and relevant information to the user. Finally, non-identifying risk data can inform epidemiological models trained jointly with the machine learning predictor. These models can provide statistical evidence for the importance of factors involved in disease transmission. They can also be used to monitor, evaluate and optimize health policy and (de)confinement scenarios according to medical and economic productivity indicators. However, such a strategy based on mobile apps and machine learning should proactively mitigate potential ethical and privacy risks, which could have substantial impacts on society (not only impacts on health but also impacts such as stigmatization and abuse of personal data). Here, we present an overview of the rationale, design, ethical considerations and privacy strategy of `COVI,' a Covid-19 public peer-to-peer contact tracing and risk awareness mobile application developed in Canada.

Vikas Reddy, Amrith Krishna, Vishnu Dutt Sharma et al.

There is an abundance of digitised texts available in Sanskrit. However, the word segmentation task in such texts are challenging due to the issue of 'Sandhi'. In Sandhi, words in a sentence often fuse together to form a single chunk of text, where the word delimiter vanishes and sounds at the word boundaries undergo transformations, which is also reflected in the written text. Here, we propose an approach that uses a deep sequence to sequence (seq2seq) model that takes only the sandhied string as the input and predicts the unsandhied string. The state of the art models are linguistically involved and have external dependencies for the lexical and morphological analysis of the input. Our model can be trained "overnight" and be used for production. In spite of the knowledge lean approach, our system preforms better than the current state of the art by gaining a percentage increase of 16.79 % than the current state of the art.