Diffusion models have emerged as a powerful framework in generative modeling, typically relying on optimizing neural networks to estimate the score function via forward SDE simulations. In this work, we propose an alternative method that is both optimization-free and forward SDE-free. By expanding the score function in a sparse set of eigenbasis of the backward Kolmogorov operator associated with the diffusion process, we reformulate score estimation as the solution to a linear system, avoiding iterative optimization and time-dependent sample generation. We analyze the approximation error using perturbation theory and demonstrate the effectiveness of our method on high-dimensional Boltzmann distributions and real-world datasets.
Large Language Models (LLMs) have achieved remarkable success across a wide range of natural language tasks, and recent efforts have sought to extend their capabilities to multimodal domains and resource-constrained environments. However, existing approaches often rely on costly supervised fine-tuning or assume fixed training conditions, limiting their generalization when facing unseen modalities, limited data, or restricted compute resources. This dissertation presents a systematic study toward generalizing LLM usability under real-world constraints. First, it introduces a robust text-centric alignment framework that enables LLMs to seamlessly integrate diverse modalities-including text, images, tables, and any modalities - via natural language interfaces. This approach supports in-context adaptation to unseen or dynamically changing modalities without requiring retraining. To enhance robustness against noisy and missing modalities, an adversarial prompting technique is proposed, generating semantically challenging perturbations at the prompt level to stress-test model reliability. Beyond multimodal setting, the dissertation investigates inference-time optimization strategies for LLMs, leveraging prompt search and uncertainty quantification to improve performance without additional model training. This perspective offers an efficient alternative to scaling model parameters or retraining from scratch. Additionally, the work addresses low-resource domains such as Verilog code generation by designing correct-by-construction synthetic data pipelines and logic-enhanced reasoning models, achieving state-of-the-art performance with minimal data. Together, these contributions form a unified effort to enhance the adaptability, scalability, and efficiency of large language models under practical constraints.
Residual strain, a tensor quantity, is a critical material property that impacts the overall performance of metal parts. Neutron Bragg edge strain tomography is a technique for imaging residual strain that works by making conventional hyperspectral computed tomography measurements, extracting the average projected strain at each detector pixel, and processing the resulting strain sinogram using a reconstruction algorithm. However, the reconstruction is severely ill-posed as the underlying inverse problem involves inferring a tensor at each voxel from scalar sinogram data. In this paper, we introduce the model-oriented neutron strain tomographic reconstruction (MONSTR) algorithm that reconstructs the 2D residual strain tensor from the neutron Bragg edge strain measurements. MONSTR is based on using the multi-agent consensus equilibrium framework for the tensor tomographic reconstruction. Specifically, we formulate the reconstruction as a consensus solution of a collection of agents representing detector physics, the tomographic reconstruction process, and physics-based constraints from continuum mechanics. Using simulated data, we demonstrate high-quality reconstruction of the strain tensor even when using very few measurements.
In this paper, we introduce a novel quantum generative model for synthesizing tabular data. Synthetic data is valuable in scenarios where real-world data is scarce or private, it can be used to augment or replace existing datasets. Real-world enterprise data is predominantly tabular and heterogeneous, often comprising a mixture of categorical and numerical features, making it highly relevant across various industries such as healthcare, finance, and software. We propose a quantum generative adversarial network architecture with flexible data encoding and a novel quantum circuit ansatz to effectively model tabular data. The proposed approach is tested on the MIMIC III healthcare and Adult Census datasets, with extensive benchmarking against leading classical models, CTGAN, and CopulaGAN. Experimental results demonstrate that our quantum model outperforms classical models by an average of 8.5% with respect to an overall similarity score from SDMetrics, while using only 0.072% of the parameters of the classical models. Additionally, we evaluate the generalization capabilities of the models using two custom-designed metrics that demonstrate the ability of the proposed quantum model to generate useful and novel samples. To our knowledge, this is one of the first demonstrations of a successful quantum generative model for handling tabular data, indicating that this task could be well-suited to quantum computers.
This paper introduces a model of excitability that unifies the mechanism of an important neuronal property both in time and in space. As a starting point, we revisit both a key model of temporal excitability, proposed by Hodgkin and Huxley, and a key model of spatial excitability, proposed by Amari. We then propose a novel model that captures the temporal and spatial properties of both models. Our aim is to regard neuronal excitability as a property across scales, and to explore the benefits of modeling excitability with one and the same mechanism, whether at the cellular or the population level.
In recent years, large language models (LLMs) have demonstrated remarkable generalization capabilities across various natural language processing (NLP) tasks. Similarly, graph foundation models (GFMs) have emerged as a promising direction in graph learning, aiming to generalize across diverse datasets through large-scale pre-training. However, unlike language models that rely on explicit token representations, graphs lack a well-defined unit for generalization, making it challenging to design effective pre-training strategies. In this work, we propose REEF, a novel framework that leverages relation tokens as the basic units for GFMs. Inspired by the token vocabulary in LLMs, we construct a relation vocabulary of relation tokens to store relational information within graphs. To accommodate diverse relations, we introduce two hypernetworks that adaptively generate the parameters of aggregators and classifiers in graph neural networks based on relation tokens. In addition, we design another hypernetwork to construct dataset-specific projectors and incorporate a dataset-level feature bias into the initial node representations, enhancing flexibility across different datasets with the same relation. Further, we adopt graph data augmentation and a mixed-dataset pre-training strategy, allowing REEF to capture relational diversity more effectively and exhibit strong generalization capabilities. Extensive experiments show that REEF significantly outperforms existing methods on both pre-training and transfer learning tasks, underscoring its potential as a powerful foundation model for graph-based applications.
While foundation models update slowly due to resource-intensive training requirements, domain-specific models evolve between updates. Model merging aims to combine multiple expert models into a single, more capable model, thereby reducing storage and serving costs while supporting decentralized model development. Despite its potential, previous studies have primarily focused on merging visual classification models or Large Language Models (LLMs) for code and math tasks. Multimodal Large Language Models (MLLMs), which extend the capabilities of LLMs through large-scale multimodal training, have gained traction. However, there lacks a benchmark for model merging research that clearly divides the tasks for MLLM training and evaluation. In this paper, (i) we introduce the model merging benchmark for MLLMs, which includes multiple tasks such as VQA, Geometry, Chart, OCR, and Grounding, providing both LoRA and full fine-tuning models. Moreover, we explore how model merging can combine different modalities (e.g., vision-language, audio-language, and video-language models), moving toward the Omni-language model. (ii) We implement 10 model merging algorithms on the benchmark. Furthermore, we propose a novel method that removes noise from task vectors and robustly optimizes the merged vector based on a loss defined over task vector interactions, achieving an average performance gain of 2.48%. (iii) We find that model merging offers a promising way for building improved MLLMs without requiring data training. Our results also demonstrate that the complementarity among multiple modalities outperforms individual modalities.
Online display advertising platforms rely on pre-ranking systems to efficiently filter and prioritize candidate ads from large corpora, balancing relevance to users with strict computational constraints. The prevailing two-tower architecture, though highly efficient due to its decoupled design and pre-caching, suffers from cross-domain interaction and coarse similarity metrics, undermining its capacity to model complex user-ad relationships. In this study, we propose the Hierarchical Interaction-Enhanced Two-Tower (HIT) model, a new architecture that augments the two-tower paradigm with two key components: $\textit{generators}$ that pre-generate holistic vectors incorporating coarse-grained user-ad interactions through a dual-generator framework with a cosine-similarity-based generation loss as the training objective, and $\textit{multi-head representers}$ that project embeddings into multiple latent subspaces to capture fine-grained, multi-faceted user interests and multi-dimensional ad attributes. This design enhances modeling effectiveness without compromising inference efficiency. Extensive experiments on public datasets and large-scale online A/B testing on Tencent's advertising platform demonstrate that HIT significantly outperforms several baselines in relevance metrics, yielding a $1.66\%$ increase in Gross Merchandise Volume and a $1.55\%$ improvement in Return on Investment, alongside similar serving latency to the vanilla two-tower models. The HIT model has been successfully deployed in Tencent's online display advertising system, serving billions of impressions daily. The code is available at https://anonymous.4open.science/r/HIT_model-5C23.
Evaluating functional similarity involves quantifying the degree to which independently trained neural networks learn functionally similar representations. Reliably inferring the functional similarity of these networks remains an open problem with far-reaching implications for AI. Model stitching has emerged as a promising paradigm, where an optimal affine transformation aligns two models to solve a task, with the stitched model serving as a proxy for functional similarity. In this work, we draw inspiration from the knowledge distillation literature and propose Functional Latent Alignment (FuLA) as a novel optimality condition for model stitching. We revisit previously explored functional similarity testbeds and introduce a new one, based on which FuLA emerges as an overall more reliable method of functional similarity. Specifically, our experiments in (a) adversarial training, (b) shortcut training and, (c) cross-layer stitching, reveal that FuLA is less prone to artifacts tied to training on task cues while achieving non-trivial alignments that are missed by stitch-level matching.
We introduce DeCaFlow, a deconfounding causal generative model. Training once per dataset using just observational data and the underlying causal graph, DeCaFlow enables accurate causal inference on continuous variables under the presence of hidden confounders. Specifically, we extend previous results on causal estimation under hidden confounding to show that a single instance of DeCaFlow provides correct estimates for all causal queries identifiable with do-calculus, leveraging proxy variables to adjust for the causal effects when do-calculus alone is insufficient. Moreover, we show that counterfactual queries are identifiable as long as their interventional counterparts are identifiable, and thus are also correctly estimated by DeCaFlow. Our empirical results on diverse settings (including the Ecoli70 dataset, with 3 independent hidden confounders, tens of observed variables and hundreds of causal queries) show that DeCaFlow outperforms existing approaches, while demonstrating its out-of-the-box applicability to any given causal graph. An implementation can be found in https://github.com/aalmodovares/DeCaFlow
Post-hoc interpretability methods typically attribute a model's behavior to its components, data, or training trajectory in isolation. This leads to explanations that lack a unified view and may miss key interactions. While combining existing methods or applying them at different training stages offers broader insights, these approaches usually lack theoretical support. In this work, we present ExPLAIND, a unified framework that integrates all three perspectives. First, we generalize recent work on gradient path kernels, which reformulate models trained by gradient descent as a kernel machine, to more realistic training settings. Empirically, we find that both a CNN and a Transformer model are replicated accurately by this reformulation. Second, we derive novel parameter- and step-wise influence scores from the kernel feature maps. We show their effectiveness in parameter pruning that is comparable to existing methods, reinforcing their value for model component attribution. Finally, jointly interpreting model components and data over the training process, we leverage ExPLAIND to analyze a Transformer that exhibits Grokking. Among other things, our findings support previously proposed stages of Grokking, while refining the final phase as one of alignment of input embeddings and final layers around a representation pipeline learned after the memorization phase. Overall, ExPLAIND provides a theoretically grounded, unified framework to interpret model behavior and training dynamics.
Hollmann et al. (Nature 637 (2025) 319-326) recently introduced TabPFN, a transformer-based deep learning model for regression and classification on tabular data, which they claim "outperforms all previous methods on datasets with up to 10,000 samples by a wide margin, using substantially less training time." Furthermore, they have called TabPFN a "foundation model" for tabular data, as it can support "data generation, density estimation, learning reusable embeddings and fine-tuning". If these statements are well-supported, TabPFN may have the potential to supersede existing modeling approaches on a wide range of statistical tasks, mirroring a similar revolution in other areas of artificial intelligence that began with the advent of large language models. In this paper, we provide a tailored explanation of how TabPFN works for a statistics audience, by emphasizing its interpretation as approximate Bayesian inference. We also provide more evidence of TabPFN's "foundation model" capabilities: We show that an out-of-the-box application of TabPFN vastly outperforms specialized state-of-the-art methods for semi-supervised parameter estimation, prediction under covariate shift, and heterogeneous treatment effect estimation. We further show that TabPFN can outperform LASSO at sparse regression and can break a robustness-efficiency trade-off in classification. All experiments can be reproduced using the code provided at https://github.com/qinglong-tian/tabpfn_study (https://github.com/qinglong-tian/tabpfn_study).
Estimating causal effects from observational data is essential in fields such as medicine, economics and social sciences, where privacy concerns are paramount. We propose a general, model-agnostic framework for differentially private estimation of average treatment effects (ATE) that avoids strong structural assumptions on the data-generating process or the models used to estimate propensity scores and conditional outcomes. In contrast to prior work, which enforces differential privacy by directly privatizing these nuisance components and results in a privacy cost that scales with model complexity, our approach decouples nuisance estimation from privacy protection. This separation allows the use of flexible, state-of-the-art black-box models, while differential privacy is achieved by perturbing only predictions and aggregation steps within a fold-splitting scheme with ensemble techniques. We instantiate the framework for three classical estimators -- the G-formula, inverse propensity weighting (IPW), and augmented IPW (AIPW) -- and provide formal utility and privacy guarantees. Empirical results show that our methods maintain competitive performance under realistic privacy budgets. We further extend our framework to support meta-analysis of multiple private ATE estimates. Our results bridge a critical gap between causal inference and privacy-preserving data analysis.
While large reasoning models demonstrate strong performance on complex tasks, they lack the ability to adjust reasoning token usage based on task difficulty. This often leads to the "overthinking" problem -- excessive and unnecessary reasoning -- which, although potentially mitigated by human intervention to control the token budget, still fundamentally contradicts the goal of achieving fully autonomous AI. In this work, we propose Adaptive Reasoning Model (ARM), a reasoning model capable of adaptively selecting appropriate reasoning formats based on the task at hand. These formats include three efficient ones -- Direct Answer, Short CoT, and Code -- as well as a more elaborate format, Long CoT. To train ARM, we introduce Ada-GRPO, an adaptation of Group Relative Policy Optimization (GRPO), which addresses the format collapse issue in traditional GRPO. Ada-GRPO enables ARM to achieve high token efficiency, reducing tokens by an average of 30%, and up to 70%, while maintaining performance comparable to the model that relies solely on Long CoT. Furthermore, not only does it improve inference efficiency through reduced token generation, but it also brings a 2x speedup in training. In addition to the default Adaptive Mode, ARM supports two additional reasoning modes: 1) Instruction-Guided Mode, which allows users to explicitly specify the reasoning format via special tokens -- ideal when the appropriate format is known for a batch of tasks. 2) Consensus-Guided Mode, which aggregates the outputs of the three efficient formats and resorts to Long CoT in case of disagreement, prioritizing performance with higher token usage.
Model editing aims to correct errors and outdated knowledge in the Large language models (LLMs) with minimal cost. Prior research has proposed a variety of datasets to assess the effectiveness of these model editing methods. However, most existing datasets only require models to output short phrases or sentences, overlooks the widespread existence of document-level tasks in the real world, raising doubts about their practical usability. Aimed at addressing this limitation and promoting the application of model editing in real-world scenarios, we propose the task of document-level model editing. To tackle such challenges and enhance model capabilities in practical settings, we introduce \benchmarkname, a dataset focused on document-level model editing, characterized by document-level inputs and outputs, extrapolative, and multiple facts within a single edit. We propose a series of evaluation metrics and experiments. The results show that the difficulties in document-level model editing pose challenges for existing model editing methods.
This study presents FiLLM, a Filipino-optimized large language model, designed to enhance natural language processing (NLP) capabilities in the Filipino language. Built upon the SeaLLM-7B 2.5 model, FiLLM leverages Low-Rank Adaptation (LoRA) fine-tuning to optimize memory efficiency while maintaining task-specific performance. The model was trained and evaluated on diverse Filipino datasets to address key NLP tasks, including Named Entity Recognition (NER), Part-of-Speech (POS) tagging, Dependency Parsing, and Text Summarization. Performance comparisons with the CalamanCy model were conducted using F1 Score, Precision, Recall, Compression Rate, and Keyword Overlap metrics. Results indicate that Calamancy outperforms FILLM in several aspects, demonstrating its effectiveness in processing Filipino text with improved linguistic comprehension and adaptability. This research contributes to the advancement of Filipino NLP applications by providing an optimized, efficient, and scalable language model tailored for local linguistic needs.
Large language models (LLMs) are increasingly used in learning algorithms, evaluations, and optimization tasks. Recent studies have shown that using LLM-based optimizers to automatically optimize model prompts, demonstrations, predictions themselves, or other components can significantly enhance the performance of AI systems, as demonstrated by frameworks such as DSPy and TextGrad. However, optimizers built on language models themselves are usually designed by humans with manual design choices; optimizers themselves are not optimized. Moreover, these optimizers are general purpose by design, to be useful to a broad audience, and are not tailored for specific tasks. To address these challenges, we propose metaTextGrad, which focuses on designing a meta-optimizer to further enhance existing optimizers and align them to be good optimizers for a given task. Our approach consists of two key components: a meta prompt optimizer and a meta structure optimizer. The combination of these two significantly improves performance across multiple benchmarks, achieving an average absolute performance improvement of up to 6% compared to the best baseline.
Diffusion Language Models (DLMs) promise parallel generation and bidirectional context, yet they underperform autoregressive (AR) models in both likelihood modeling and generated text quality. We identify that this performance gap arises when important tokens (e.g., key words or low-frequency words that anchor a sentence) are masked early in the forward process, limiting contextual information for accurate reconstruction. To address this, we introduce the Anchored Diffusion Language Model (ADLM), a novel two-stage framework that first predicts distributions over important tokens via an anchor network, and then predicts the likelihoods of missing tokens conditioned on the anchored predictions. ADLM significantly improves test perplexity on LM1B and OpenWebText, achieving up to 25.4% gains over prior DLMs, and narrows the gap with strong AR baselines. It also achieves state-of-the-art performance in zero-shot generalization across seven benchmarks and surpasses AR models in MAUVE score, which marks the first time a DLM generates better human-like text than an AR model. Theoretically, we derive an Anchored Negative Evidence Lower Bound (ANELBO) objective and show that anchoring improves sample complexity and likelihood modeling. Beyond diffusion, anchoring boosts performance in AR models and enhances reasoning in math and logic tasks, outperforming existing chain-of-thought approaches
Large language models (LLMs) have revolutionized natural language processing, yet their practical utility is often limited by persistent issues of hallucinations and outdated parametric knowledge. Although post-training model editing offers a pathway for dynamic updates, existing methods frequently suffer from overfitting and catastrophic forgetting. To tackle these challenges, we propose a novel framework that leverages hyperbolic geometry and graph neural networks for precise and stable model edits. We introduce HYPE (HYperbolic Parameter Editing), which comprises three key components: (i) Hyperbolic Graph Construction, which uses Poincar\'e embeddings to represent knowledge triples in hyperbolic space, preserving hierarchical relationships and preventing unintended side effects by ensuring that edits to parent concepts do not inadvertently affect child concepts; (ii) M\"obius-Transformed Updates, which apply hyperbolic addition to propagate edits while maintaining structural consistency within the hyperbolic manifold, unlike conventional Euclidean updates that distort relational distances; and (iii) Dual Stabilization, which combines gradient masking and periodic GNN parameter resetting to prevent catastrophic forgetting by focusing updates on critical parameters and preserving long-term knowledge. Experiments on CounterFact, CounterFact+, and MQuAKE with GPT-J and GPT2-XL demonstrate that HYPE significantly enhances edit stability, factual accuracy, and multi-hop reasoning.
Open-weight LLM zoos provide access to numerous high-quality models, but selecting the appropriate model for specific tasks remains challenging and requires technical expertise. Most users simply want factually correct, safe, and satisfying responses without concerning themselves with model technicalities, while inference service providers prioritize minimizing operating costs. These competing interests are typically mediated through service level agreements (SLAs) that guarantee minimum service quality. We introduce MESS+, a stochastic optimization algorithm for cost-optimal LLM request routing while providing rigorous SLA compliance guarantees. MESS+ learns request satisfaction probabilities of LLMs in real-time as users interact with the system, based on which model selection decisions are made by solving a per-request optimization problem. Our algorithm includes a novel combination of virtual queues and request satisfaction prediction, along with a theoretical analysis of cost optimality and constraint satisfaction. Across a wide range of state-of-the-art LLM benchmarks, MESS+ achieves an average of 2x cost savings compared to existing LLM routing techniques.