MPI-IS
Abstract:While large language models (LLMs) are driving the rapid advancement of artificial intelligence, effectively and reliably training these large models remains one of the field's most significant challenges. To address this challenge, we propose POET, a novel reParameterized training algorithm that uses Orthogonal Equivalence Transformation to optimize neurons. Specifically, POET reparameterizes each neuron with two learnable orthogonal matrices and a fixed random weight matrix. Because of its provable preservation of spectral properties of weight matrices, POET can stably optimize the objective function with improved generalization. We further develop efficient approximations that make POET flexible and scalable for training large-scale neural networks. Extensive experiments validate the effectiveness and scalability of POET in training LLMs.
Abstract:Large Language Models (LLMs) are rapidly advancing across diverse domains, yet their application in theoretical physics research is not yet mature. This position paper argues that LLM agents can potentially help accelerate theoretical, computational, and applied physics when properly integrated with domain knowledge and toolbox. We analyze current LLM capabilities for physics -- from mathematical reasoning to code generation -- identifying critical gaps in physical intuition, constraint satisfaction, and reliable reasoning. We envision future physics-specialized LLMs that could handle multimodal data, propose testable hypotheses, and design experiments. Realizing this vision requires addressing fundamental challenges: ensuring physical consistency, and developing robust verification methods. We call for collaborative efforts between physics and AI communities to help advance scientific discovery in physics.
Abstract:Estimation of causal effects is critical to a range of scientific disciplines. Existing methods for this task either require interventional data, knowledge about the ground truth causal graph, or rely on assumptions such as unconfoundedness, restricting their applicability in real-world settings. In the domain of tabular machine learning, Prior-data fitted networks (PFNs) have achieved state-of-the-art predictive performance, having been pre-trained on synthetic data to solve tabular prediction problems via in-context learning. To assess whether this can be transferred to the harder problem of causal effect estimation, we pre-train PFNs on synthetic data drawn from a wide variety of causal structures, including interventions, to predict interventional outcomes given observational data. Through extensive experiments on synthetic case studies, we show that our approach allows for the accurate estimation of causal effects without knowledge of the underlying causal graph. We also perform ablation studies that elucidate Do-PFN's scalability and robustness across datasets with a variety of causal characteristics.
Abstract:Large-scale neural language models (LMs) exhibit remarkable performance in in-context learning: the ability to learn and reason the input context on the fly without parameter update. This work studies in-context counterfactual reasoning in language models, that is, to predict the consequences of changes under hypothetical scenarios. We focus on studying a well-defined synthetic setup: a linear regression task that requires noise abduction, where accurate prediction is based on inferring and copying the contextual noise from factual observations. We show that language models are capable of counterfactual reasoning in this controlled setup and provide insights that counterfactual reasoning for a broad class of functions can be reduced to a transformation on in-context observations; we find self-attention, model depth, and data diversity in pre-training drive performance in Transformers. More interestingly, our findings extend beyond regression tasks and show that Transformers can perform noise abduction on sequential data, providing preliminary evidence on the potential for counterfactual story generation. Our code is available under https://github.com/moXmiller/counterfactual-reasoning.git .
Abstract:Estimating causal effects of joint interventions on multiple variables is crucial in many domains, but obtaining data from such simultaneous interventions can be challenging. Our study explores how to learn joint interventional effects using only observational data and single-variable interventions. We present an identifiability result for this problem, showing that for a class of nonlinear additive outcome mechanisms, joint effects can be inferred without access to joint interventional data. We propose a practical estimator that decomposes the causal effect into confounded and unconfounded contributions for each intervention variable. Experiments on synthetic data demonstrate that our method achieves performance comparable to models trained directly on joint interventional data, outperforming a purely observational estimator.
Abstract:Cardiovascular disease (CVD) risk prediction models are essential for identifying high-risk individuals and guiding preventive actions. However, existing models struggle with the challenges of real-world clinical practice as they oversimplify patient profiles, rely on rigid input schemas, and are sensitive to distribution shifts. We developed AdaCVD, an adaptable CVD risk prediction framework built on large language models extensively fine-tuned on over half a million participants from the UK Biobank. In benchmark comparisons, AdaCVD surpasses established risk scores and standard machine learning approaches, achieving state-of-the-art performance. Crucially, for the first time, it addresses key clinical challenges across three dimensions: it flexibly incorporates comprehensive yet variable patient information; it seamlessly integrates both structured data and unstructured text; and it rapidly adapts to new patient populations using minimal additional data. In stratified analyses, it demonstrates robust performance across demographic, socioeconomic, and clinical subgroups, including underrepresented cohorts. AdaCVD offers a promising path toward more flexible, AI-driven clinical decision support tools suited to the realities of heterogeneous and dynamic healthcare environments.
Abstract:As AI systems increasingly navigate applications in healthcare, law, and governance, understanding how they handle ethically complex scenarios becomes critical. Previous work has mainly examined the moral judgments in large language models (LLMs), rather than their underlying moral reasoning process. In contrast, we focus on a large-scale analysis of the moral reasoning traces provided by LLMs. Furthermore, unlike prior work that attempted to draw inferences from only a handful of moral dilemmas, our study leverages over 600 distinct trolley problems as probes for revealing the reasoning patterns that emerge within different LLMs. We introduce and test a taxonomy of moral rationales to systematically classify reasoning traces according to two main normative ethical theories: consequentialism and deontology. Our analysis reveals that LLM chains-of-thought tend to favor deontological principles based on moral obligations, while post-hoc explanations shift notably toward consequentialist rationales that emphasize utility. Our framework provides a foundation for understanding how LLMs process and articulate ethical considerations, an important step toward safe and interpretable deployment of LLMs in high-stakes decision-making environments. Our code is available at https://github.com/keenansamway/moral-lens .
Abstract:Recent advances in large language models (LLMs) have enabled their use in complex agentic roles, involving decision-making with humans or other agents, making ethical alignment a key AI safety concern. While prior work has examined both LLMs' moral judgment and strategic behavior in social dilemmas, there is limited understanding of how they act when moral imperatives directly conflict with rewards or incentives. To investigate this, we introduce Moral Behavior in Social Dilemma Simulation (MoralSim) and evaluate how LLMs behave in the prisoner's dilemma and public goods game with morally charged contexts. In MoralSim, we test a range of frontier models across both game structures and three distinct moral framings, enabling a systematic examination of how LLMs navigate social dilemmas in which ethical norms conflict with payoff-maximizing strategies. Our results show substantial variation across models in both their general tendency to act morally and the consistency of their behavior across game types, the specific moral framing, and situational factors such as opponent behavior and survival risks. Crucially, no model exhibits consistently moral behavior in MoralSim, highlighting the need for caution when deploying LLMs in agentic roles where the agent's "self-interest" may conflict with ethical expectations. Our code is available at https://github.com/sbackmann/moralsim.
Abstract:This paper evaluates single-view mesh reconstruction models for creating digital twin environments in robot manipulation. Recent advances in computer vision for 3D reconstruction from single viewpoints present a potential breakthrough for efficiently creating virtual replicas of physical environments for robotics contexts. However, their suitability for physics simulations and robotics applications remains unexplored. We establish benchmarking criteria for 3D reconstruction in robotics contexts, including handling typical inputs, producing collision-free and stable reconstructions, managing occlusions, and meeting computational constraints. Our empirical evaluation using realistic robotics datasets shows that despite success on computer vision benchmarks, existing approaches fail to meet robotics-specific requirements. We quantitively examine limitations of single-view reconstruction for practical robotics implementation, in contrast to prior work that focuses on multi-view approaches. Our findings highlight critical gaps between computer vision advances and robotics needs, guiding future research at this intersection.
Abstract:We formalize the problem of online learning-unlearning, where a model is updated sequentially in an online setting while accommodating unlearning requests between updates. After a data point is unlearned, all subsequent outputs must be statistically indistinguishable from those of a model trained without that point. We present two online learner-unlearner (OLU) algorithms, both built upon online gradient descent (OGD). The first, passive OLU, leverages OGD's contractive property and injects noise when unlearning occurs, incurring no additional computation. The second, active OLU, uses an offline unlearning algorithm that shifts the model toward a solution excluding the deleted data. Under standard convexity and smoothness assumptions, both methods achieve regret bounds comparable to those of standard OGD, demonstrating that one can maintain competitive regret bounds while providing unlearning guarantees.