Country
Text-Trained LLMs Can Zero-Shot Extrapolate PDE Dynamics, Revealing a Three-Stage In-Context Learning Mechanism
Bao, Jiajun, Boullé, Nicolas, Liu, Toni J. B., Sarfati, Raphaël, Earls, Christopher J.
Large language models (LLMs) have demonstrated emergent in-context learning (ICL) capabilities across a range of tasks, including zero-shot time-series forecasting. We show that text-trained foundation models can accurately extrapolate spatiotemporal dynamics from discretized partial differential equation (PDE) solutions without fine-tuning or natural language prompting. Predictive accuracy improves with longer temporal contexts but degrades at finer spatial discretizations. In multi-step rollouts, where the model recursively predicts future spatial states over multiple time steps, errors grow algebraically with the time horizon, reminiscent of global error accumulation in classical finite-difference solvers. We interpret these trends as in-context neural scaling laws, where prediction quality varies predictably with both context length and output length. To better understand how LLMs are able to internally process PDE solutions so as to accurately roll them out, we analyze token-level output distributions and uncover a consistent three-stage ICL progression: beginning with syntactic pattern imitation, transitioning through an exploratory high-entropy phase, and culminating in confident, numerically grounded predictions.
Grounding the Ungrounded: A Spectral-Graph Framework for Quantifying Hallucinations in Multimodal LLMs
Sarkar, Supratik, Das, Swagatam
We present a rigorous information-geometric framework, grounded in diffusion dynamics, to quantify hallucinations in MLLMs where model outputs are embedded via spectral decompositions of multimodal graph Laplacians, and their gaps to a truth manifold define a semantic distortion metric. We derive Courant-Fischer bounds on a temperature-dependent hallucination profile and use RKHS eigen-modes to obtain modality-aware, interpretable measures that track evolution over prompts and time.
Growing Reservoirs with Developmental Graph Cellular Automata
Barandiaran, Matias, Stovold, James
Developmental Graph Cellular Automata (DGCA) are a novel model for morphogenesis, capable of growing directed graphs from single-node seeds. In this paper, we show that DGCAs can be trained to grow reservoirs. Reservoirs are grown with two types of targets: task-driven (using the NARMA family of tasks) and task-independent (using reservoir metrics). Results show that DGCAs are able to grow into a variety of specialized, life-like structures capable of effectively solving benchmark tasks, statistically outperforming `typical' reservoirs on the same task. Overall, these lay the foundation for the development of DGCA systems that produce plastic reservoirs and for modeling functional, adaptive morphogenesis.
PROPS: Progressively Private Self-alignment of Large Language Models
Teku, Noel, Tian, Fengwei, Bhattacharjee, Payel, Chakraborty, Souradip, Bedi, Amrit Singh, Tandon, Ravi
Alignment is a key step in developing Large Language Models (LLMs) using human feedback to ensure adherence to human values and societal norms. Dependence on human feedback raises privacy concerns about how much a labeler's preferences may reveal about their personal values, beliefs, and personality traits. Existing approaches, such as Differentially Private SGD (DP-SGD), provide rigorous privacy guarantees by privatizing gradients during fine-tuning and alignment but can provide more privacy than necessary as human preferences are tied only to labels of (prompt, response) pairs and can degrade model utility. This work focuses on LLM alignment with preference-level privacy, which preserves the privacy of preference labels provided by humans. We propose PROPS (PROgressively Private Self-alignment), a multi-stage privacy preserving alignment framework where privately aligned models in previous stages can serve as labelers for supplementing training data in the subsequent stages of alignment. We present theoretical guarantees for PROPS as well as comprehensive validation using multiple models (Pythia and GPT) and datasets (AlpacaEval, Anthropic HH-RLHF, truthy-dpo-v0.1) to demonstrate the utility of PROPS over existing methods while still providing high privacy. For the same privacy budget, alignment via PROPS can achieve up to 3x higher win-rates compared to DP-SGD, and 2.5x higher win-rates compared to Randomized Response (RR) based alignment.
Identity Increases Stability in Neural Cellular Automata
Neural Cellular Automata (NCAs) offer a way to study the growth of two-dimensional artificial organisms from a single seed cell. From the outset, NCA-grown organisms have had issues with stability, their natural boundary often breaking down and exhibiting tumour-like growth or failing to maintain the expected shape. In this paper, we present a method for improving the stability of NCA-grown organisms by introducing an 'identity' layer with simple constraints during training. Results show that NCAs grown in close proximity are more stable compared with the original NCA model. Moreover, only a single identity value is required to achieve this increase in stability. We observe emergent movement from the stable organisms, with increasing prevalence for models with multiple identity values. This work lays the foundation for further study of the interaction between NCA-grown organisms, paving the way for studying social interaction at a cellular level in artificial organisms. Code/Videos available at: https://github.com/jstovold/ALIFE2025
ShoppingBench: A Real-World Intent-Grounded Shopping Benchmark for LLM-based Agents
Wang, Jiangyuan, Xiao, Kejun, Sun, Qi, Zhao, Huaipeng, Luo, Tao, Zhang, Jian Dong, Zeng, Xiaoyi
Existing benchmarks in e-commerce primarily focus on basic user intents, such as finding or purchasing products. However, real-world users often pursue more complex goals, such as applying vouchers, managing budgets, and finding multi-products seller. To bridge this gap, we propose ShoppingBench, a novel end-to-end shopping benchmark designed to encompass increasingly challenging levels of grounded intent. Specifically, we propose a scalable framework to simulate user instructions based on various intents derived from sampled real-world products. To facilitate consistent and reliable evaluations, we provide a large-scale shopping sandbox that serves as an interactive simulated environment, incorporating over 2.5 million real-world products. Experimental results demonstrate that even state-of-the-art language agents (such as GPT-4.1) achieve absolute success rates under 50% on our benchmark tasks, highlighting the significant challenges posed by our ShoppingBench. In addition, we propose a trajectory distillation strategy and leverage supervised fine-tuning, along with reinforcement learning on synthetic trajectories, to distill the capabilities of a large language agent into a smaller one. As a result, our trained agent achieves competitive performance compared to GPT-4.1.
Structured quantum learning via em algorithm for Boltzmann machines
Kimura, Takeshi, Kato, Kohtaro, Hayashi, Masahito
Quantum Boltzmann machines (QBMs) are generative models with potential advantages in quantum machine learning, yet their training is fundamentally limited by the barren plateau problem, where gradients vanish exponentially with system size. We introduce a quantum version of the em algorithm, an information-geometric generalization of the classical Expectation-Maximization method, which circumvents gradient-based optimization on non-convex functions. Implemented on a semi-quantum restricted Boltzmann machine (sqRBM) -- a hybrid architecture with quantum effects confined to the hidden layer -- our method achieves stable learning and outperforms gradient descent on multiple benchmark datasets. These results establish a structured and scalable alternative to gradient-based training in QML, offering a pathway to mitigate barren plateaus and enhance quantum generative modeling.
SAFT: Structure-Aware Fine-Tuning of LLMs for AMR-to-Text Generation
Kamel, Rafiq, Guerranti, Filippo, Geisler, Simon, Günnemann, Stephan
Large Language Models (LLMs) are increasingly applied to tasks involving structured inputs such as graphs. Abstract Meaning Representations (AMRs), which encode rich semantics as directed graphs, offer a rigorous testbed for evaluating LLMs on text generation from such structures. Yet, current methods often arbitrarily linearize AMRs, discarding key structural cues, or rely on architectures incompatible with standard LLMs. We introduce SAFT, a structure-aware fine-tuning approach that injects graph topology into pretrained LLMs without architectural changes. We compute direction-sensitive positional encodings from the magnetic Laplacian of transformed AMRs and project them into the embedding space of the LLM. While possibly applicable to any graph-structured inputs, we focus on AMR-to-text generation as a representative and challenging benchmark. SAFT sets a new state-of-the-art on AMR 3.0 with a 3.5 BLEU improvement over baselines. Gains scale with graph complexity, highlighting the value of structure-aware representations in enhancing LLM performance. SAFT offers a general and effective pathway for bridging structured data and language models.
An Offline Mobile Conversational Agent for Mental Health Support: Learning from Emotional Dialogues and Psychological Texts with Student-Centered Evaluation
A, Vimaleswar, Sahu, Prabhu Nandan, Sahu, Nilesh Kumar, Lone, Haroon R.
Mental health plays a crucial role in the overall well-being of an individual. In recent years, digital platforms have increasingly been used to expand mental health and emotional support. However, there are persistent challenges related to limited user accessibility, internet connectivity, and data privacy, which highlight the need for an offline, smartphone-based solutions. To address these challenges, we propose EmoSApp (Emotional Support App): an entirely offline, smartphone-based conversational app designed to provide mental health and emotional support. EmoSApp leverages a language model, specifically the LLaMA-3.2-1B-Instruct, which is fine-tuned and quantized on a custom-curated ``Knowledge Dataset'' comprising 14,582 mental health QA pairs along with multi-turn conversational data, enabling robust domain expertise and fully on-device inference on resource-constrained smartphones. Through qualitative evaluation with students and mental health professionals, we demonstrate that EmoSApp has the ability to respond coherently and empathetically, provide relevant suggestions to user's mental health problems, and maintain interactive dialogue. Additionally, quantitative evaluations on nine commonsense and reasoning benchmarks, along with two mental health specific datasets, demonstrate EmoSApp's effectiveness in low-resource settings. By prioritizing on-device deployment and specialized domain-specific adaptation, EmoSApp serves as a blueprint for future innovations in portable, secure, and highly tailored AI-driven mental health support.
Quantifying Cross-Attention Interaction in Transformers for Interpreting TCR-pMHC Binding
Li, Jiarui, Yin, Zixiang, Smith, Haley, Ding, Zhengming, Landry, Samuel J., Mettu, Ramgopal R.
CD8+ "killer" T cells and CD4+ "helper" T cells play a central role in the adaptive immune system by recognizing antigens presented by Major Histocompatibility Complex (pMHC) molecules via T Cell Receptors (TCRs). Modeling binding between T cells and the pMHC complex is fundamental to understanding basic mechanisms of human immune response as well as in developing therapies. While transformer-based models such as TULIP have achieved impressive performance in this domain, their black-box nature precludes interpretability and thus limits a deeper mechanistic understanding of T cell response. Most existing post-hoc explainable AI (xAI) methods are confined to encoder-only, co-attention, or model-specific architectures and cannot handle encoder-decoder transformers used in TCR-pMHC modeling. To address this gap, we propose Quantifying Cross-Attention Interaction (QCAI), a new post-hoc method designed to interpret the cross-attention mechanisms in transformer decoders. Quantitative evaluation is a challenge for XAI methods; we have compiled TCR-XAI, a benchmark consisting of 274 experimentally determined TCR-pMHC structures to serve as ground truth for binding. Using these structures we compute physical distances between relevant amino acid residues in the TCR-pMHC interaction region and evaluate how well our method and others estimate the importance of residues in this region across the dataset. We show that QCAI achieves state-of-the-art performance on both interpretability and prediction accuracy under the TCR-XAI benchmark. T cells play a pivotal role in the adaptive immune system by identifying and responding to antigenic proteins, both from pathogens such as viruses, bacteria and cancer cells (Joglekar & Li, 2021) as well as in the context of autoimmunity. The final and arguably most critical component of T cell response is binding between the peptide Major Histocompatibility Complex (pMHC) which contains an antigenic peptide bound to a MHC molecule and the surface receptor on T cells (TCR). The specificity of this interaction underpins T cell-mediated immunity and is an intense area of research in both the development of therapies and fundamental understanding of immune response. Understanding T cell response is the key to vaccines that confer long-lasting immunity, and can also enable effective personalized cancer therapies (Rojas et al., 2023; Poorebrahim et al., 2021). Transformer models have recently been use to analyze T cell immunity (Hudson et al., 2023; Li et al., 2023; Karthikeyan et al., 2023; Driessen et al., 2024; Cornwall et al., 2023).