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Publications
Towards Sustainable Investment Policies Informed by Opponent Shaping
Addressing climate change requires global coordination, yet rational economic actors often prioritize immediate gains over collective welfar… (voir plus)e, resulting in social dilemmas. InvestESG is a recently proposed multi-agent simulation that captures the dynamic interplay between investors and companies under climate risk. We provide a formal characterization of the conditions under which InvestESG exhibits an intertemporal social dilemma, deriving theoretical thresholds at which individual incentives diverge from collective welfare. Building on this, we apply Advantage Alignment, a scalable opponent shaping algorithm shown to be effective in general-sum games, to influence agent learning in InvestESG. We offer theoretical insights into why Advantage Alignment systematically favors socially beneficial equilibria by biasing learning dynamics toward cooperative outcomes. Our results demonstrate that strategically shaping the learning processes of economic agents can result in better outcomes that could inform policy mechanisms to better align market incentives with long-term sustainability goals.
A major bottleneck in scientific discovery involves narrowing a large combinatorial set of objects, such as proteins or molecules, to a smal… (voir plus)l set of promising candidates. While this process largely relies on expert knowledge, recent methods leverage reinforcement learning (RL) to enhance this filtering. They achieve this by estimating proxy reward functions from available datasets and using regularization to generate more diverse candidates. These reward functions are inherently uncertain, raising a particularly salient challenge for scientific discovery. In this work, we show that existing methods, often framed as sampling proportional to a reward function, are inadequate and yield suboptimal candidates, especially in large search spaces. To remedy this issue, we take a robust RL approach and introduce a unified operator that seeks robustness to the uncertainty of the proxy reward function. This general operator targets peakier sampling distributions while encompassing known soft RL operators. It also leads us to a novel algorithm that identifies higher-quality, diverse candidates in both synthetic and real-world tasks. Ultimately, our work offers a new, flexible perspective on discrete compositional generation tasks. Code: https://github.com/marcojira/tgm.
In this paper, we investigate the use of small datasets in the context of offline reinforcement learning (RL). While many common offline RL … (voir plus)benchmarks employ datasets with over a million data points, many offline RL applications rely on considerably smaller datasets. We show that offline RL algorithms can overfit on small datasets, resulting in poor performance. To address this challenge, we introduce"Sparse-Reg": a regularization technique based on sparsity to mitigate overfitting in offline reinforcement learning, enabling effective learning in limited data settings and outperforming state-of-the-art baselines in continuous control.
The rapid adaptation ability of auto-regressive foundation models is often attributed to the diversity of their pre-training data. This is b… (voir plus)ecause, from a Bayesian standpoint, minimizing prediction error in such settings requires integrating over all plausible latent hypotheses consistent with observations. While this behavior is desirable in principle, it often proves too ambitious in practice: under high ambiguity, the number of plausible latent alternatives makes Bayes-optimal prediction computationally intractable. Cognitive science has long recognized this limitation, suggesting that under such conditions, heuristics or information-seeking strategies are preferable to exhaustive inference. Translating this insight to next-token prediction, we hypothesize that low- and high-ambiguity predictions pose different computational demands, making ambiguity-agnostic next-token prediction a detrimental inductive bias. To test this, we introduce MetaHMM, a synthetic sequence meta-learning benchmark with rich compositional structure and a tractable Bayesian oracle. We show that Transformers indeed struggle with high-ambiguity predictions across model sizes. Motivated by cognitive theories, we propose a method to convert pre-trained models into Monte Carlo predictors that decouple task inference from token prediction. Preliminary results show substantial gains in ambiguous contexts through improved capacity allocation and test-time scalable inference, though challenges remain.
Sampling efficiently from a target unnormalized probability density remains a core challenge, with relevance across countless high-impact sc… (voir plus)ientific applications. A promising approach towards this challenge is the design of amortized samplers that borrow key ideas, such as probability path design, from state-of-the-art generative diffusion models. However, all existing diffusion-based samplers remain unable to draw samples from distributions at the scale of even simple molecular systems. In this paper, we propose Progressive Inference-Time Annealing (PITA), a novel framework to learn diffusion-based samplers that combines two complementary interpolation techniques: I.) Annealing of the Boltzmann distribution and II.) Diffusion smoothing. PITA trains a sequence of diffusion models from high to low temperatures by sequentially training each model at progressively higher temperatures, leveraging engineered easy access to samples of the temperature-annealed target density. In the subsequent step, PITA enables simulating the trained diffusion model to procure training samples at a lower temperature for the next diffusion model through inference-time annealing using a novel Feynman-Kac PDE combined with Sequential Monte Carlo. Empirically, PITA enables, for the first time, equilibrium sampling of N-body particle systems, Alanine Dipeptide, and tripeptides in Cartesian coordinates with dramatically lower energy function evaluations. Code available at: https://github.com/taraak/pita
Reward models (RMs) are fundamental to aligning Large Language Models (LLMs) via human feedback, yet they often suffer from reward hacking. … (voir plus)They tend to latch on to superficial or spurious attributes, such as response length or formatting, mistaking these cues learned from correlations in training data for the true causal drivers of quality (e.g., factuality, relevance). This occurs because standard training objectives struggle to disentangle these factors, leading to brittle RMs and misaligned policies. We introduce Crome (Causally Robust Reward Modeling), a novel framework grounded in an explicit causal model designed to mitigate reward hacking. Crome employs the following synthetic targeted augmentations during training: (1) Causal Augmentations, which are pairs that differ along specific causal attributes, to enforce sensitivity along each causal attribute individually, and (2) Neutral Augmentations, which are tie-label pairs varying primarily in spurious attributes, to enforce invariance along spurious attributes. Notably, our augmentations are produced without any knowledge of spurious factors, via answer interventions only along causal rubrics, that are identified by querying an oracle LLM. Empirically, Crome significantly outperforms standard baselines on RewardBench, improving average accuracy by up to 5.4% and achieving gains of up to 13.2% and 7.2% in specific categories. The robustness of Crome is further testified by the consistent gains obtained in a Best-of-N inference setting across increasing N, across various benchmarks, including the popular RewardBench (covering chat, chat-hard, safety, and reasoning tasks), the safety-focused WildGuardTest, and the reasoning-specific GSM8k.
Graph neural networks have been useful in machine learning on graph-structured data, particularly for node classification and some types of … (voir plus)graph classification tasks. However, they have had limited use in representing patterning of signals over graphs. Patterning of signals over graphs and in subgraphs carries important information in many domains including neuroscience. Neural signals are spatiotemporally patterned, high dimensional and difficult to decode. Graph signal processing and associated GCN models utilize the graph Fourier transform and are unable to efficiently represent spatially or spectrally localized signal patterning on graphs. Wavelet transforms have shown promise here, but offer non-canonical representations and cannot be tightly confined to subgraphs. Here we propose SlepNet, a novel GCN architecture that uses Slepian bases rather than graph Fourier harmonics. In SlepNet, the Slepian harmonics optimally concentrate signal energy on specifically relevant subgraphs that are automatically learned with a mask. Thus, they can produce canonical and highly resolved representations of neural activity, focusing energy of harmonics on areas of the brain which are activated. We evaluated SlepNet across three fMRI datasets, spanning cognitive and visual tasks, and two traffic dynamics datasets, comparing its performance against conventional GNNs and graph signal processing constructs. SlepNet outperforms the baselines in all datasets. Moreover, the extracted representations of signal patterns from SlepNet offers more resolution in distinguishing between similar patterns, and thus represent brain signaling transients as informative trajectories. Here we have shown that these extracted trajectory representations can be used for other downstream untrained tasks. Thus we establish that SlepNet is useful both for prediction and representation learning in spatiotemporal data.
