arXiv subjects

David Wipf

Publications and source records attributed to David Wipf.

At least 19 recordsLinked to original sources

arXiv2026

Parameter-Free Encoders Remain Viable for RDB Foundation Models

Given a relational database (RDB) storing heterogeneous tabular information, how can we predict missing (or future) values in some target column of interest? As the space of potential targets is vast across enterprise settings, it is preferable to avoid learning a new model from scratch each time there is a new prediction task. Frozen foundation models based on RDB-specific encoders provide a viable solution, but ideal design remains an open question. On the one hand, it has recently been argued that certain parameter-free subgraph encoders combined with single-table foundation models can achieve near SOTA performance, with no RDB-specific pre-training required. Meanwhile, other contemporary studies advocate for parameterized encoders pre-trained to exploit observable labels for learning task-specific representations. To address this ambiguity, we analyze RDB encoder properties specifically when labels are present as inputs, proving limitations on the potential efficacy of trainable encoder parameters. As empirical validation, we demonstrate that considerably simpler parameter-free encoders are still capable of strong performance across many relevant benchmarking tasks.

cs.LG↗

arXiv2026

Resolving Action Bottleneck: Agentic Reinforcement Learning Informed by Token-Level Energy

Agentic reinforcement learning trains large language models using multi-turn trajectories that interleave long reasoning traces with short environment-facing actions. Common policy-gradient methods, such as PPO and GRPO, treat each token in a trajectory equally, leading to uniform credit assignment. In this paper, we critically demonstrate that such uniform credit assignment largely misallocates token-level training signals. From an energy-based modeling perspective, we show that token-level training signals, quantified by their correlations with reward variance of different rollouts sampled from a given prompt, concentrate sharply on action tokens rather than reasoning tokens, even though action tokens account for only a small fraction of the trajectory. We refer to this phenomenon as the Action Bottleneck. Motivated by this observation, we propose an embarrassingly simple token reweighting approach, ActFocus, that downweights gradients on reasoning tokens, along with an additional energy-based redistribution mechanism that further increases the weights on action tokens with higher uncertainty. Across four environments and different model sizes, ActFocus consistently outperforms PPO and GRPO, yielding final-step gains of up to 65.2 and 63.7 percentage points, respectively, without any additional runtime or memory cost.

cs.LG↗

arXiv2026

No Need to Train Your RDB Foundation Model

Relational databases (RDBs) contain vast amounts of heterogeneous tabular information that can be exploited for predictive modeling purposes. But since the space of potential targets is vast across enterprise settings, how can we avoid retraining a new model each time we wish to predict a new quantity of interest? Foundation models based on in-context learning (ICL) offer a convenient option, but so far are largely restricted to single-table operability. In generalizing to multiple interrelated tables, it is essential to compress variably-sized RDB neighborhoods into fixed-length ICL samples for consumption by the decoder. However, the details here are critical: unlike existing supervised learning RDB pipelines, we provide theoretical and empirical evidence that ICL-specific compression should be constrained within high-dimensional RDB columns where all entities share units and roles, not across columns where the relevance of heterogeneous data types cannot be determined without extensive label information. Conditioned on this restriction, we then demonstrate that encoder expressiveness is actually not compromised by excluding trainable parameters. Hence we arrive at a principled family of RDB encoders that can be seamlessly paired with already-existing single-table ICL foundation models, whereby no training or fine-tuning is required. From a practical standpoint, we develop scalable SQL primitives to implement the encoder stage, resulting in the easy-to-use open-source RDBLearn foundation model capable of robust performance on unseen datasets out of the box.

cs.AI↗

arXiv2026

RDBLearn: Simple In-Context Prediction Over Relational Databases

Recent advances in tabular in-context learning (ICL) show that a single pretrained model can adapt to new prediction tasks from a small set of labeled examples, avoiding per-task training and heavy tuning. However, many real-world tasks live in relational databases, where predictive signal is spread across multiple linked tables rather than a single flat table. We show that tabular ICL can be extended to relational prediction with a simple recipe: automatically featurize each target row using relational aggregations over its linked records, materialize the resulting augmented table, and run an off-the-shelf tabular foundation model on it. We package this approach in \textit{RDBLearn} (https://github.com/HKUSHXLab/rdblearn), an easy-to-use toolkit with a scikit-learn-style estimator interface that makes it straightforward to swap different tabular ICL backends; a complementary agent-specific interface is provided as well. Across a broad collection of RelBench and 4DBInfer datasets, RDBLearn is the best-performing foundation model approach we evaluate, at times even outperforming strong supervised baselines trained or fine-tuned on each dataset.

cs.DB↗

arXiv2025

On Powerful Ways to Generate: Autoregression, Diffusion, and Beyond

Diffusion language models have recently emerged as a competitive alternative to autoregressive language models. Beyond next-token generation, they are more efficient and flexible by enabling parallel and any-order token generation. However, despite empirical successes, their computational power and fundamental limitations remain poorly understood. In this paper, we formally study whether non-autoregressive generation in Masked Diffusion Models (MDM) enables solving problems beyond the reach of Auto-Regressive Models (ARM). Our results show that MDM with sufficiently large context length is computationally universal with decoding steps matching the optimal parallel time complexity in PRAM. However, when controlling for other factors, MDM's flexibility to generate in any-order does not expand what ARM can already solve. To address this, we propose a new form of generation called any-process generation, which extends MDM with capabilities to remask, insert and delete tokens, allowing self-correction, length-variable editing, and adaptive parallelism. Theoretically and empirically, we demonstrate these capabilities enable scalability to significantly harder reasoning problems that are otherwise intractable for ARM and vanilla MDM. Additionally, they prove essential for generation tasks where objects naturally evolve through non-sequential processes, crucial for extending current LLMs beyond natural language to domains such as coding and science.

cs.LG↗

arXiv2025

TaTToo: Tool-Grounded Thinking PRM for Test-Time Scaling in Tabular Reasoning

Process Reward Models (PRMs) have recently emerged as a powerful framework for enhancing the reasoning capabilities of large reasoning models (LRMs), particularly in the context of test-time scaling (TTS). However, their potential for supervising LRMs on tabular reasoning domains remains underexplored. Through detailed empirical analyses, we identify that existing PRMs, though widely adopted for supervising text-only reasoning steps, struggle with table-specific operations such as sub-table retrieval and schema interaction, leading to critical performance bottlenecks. To address this limitation, we propose TaTToo, a novel table-grounded PRM framework that (i) reasons explicitly over tabular reasoning steps and (ii) integrates tool-based verification to provide precise reward supervision. Concretely, we first design a scalable data curation pipeline that constructs over 60k high-quality step-level annotations by integrating table verification rationales with tool-based executions. Building on the collected data, we train TaTToo with a dual-stage paradigm: cold-start supervised fine-tuning to capture tool-use reasoning patterns, followed by reinforcement learning with tool-grounded reward shaping to align our model with table-based verification. We provide a comprehensive evaluation of the policy improvement induced by our newly designed PRM. Across 5 challenging tabular reasoning benchmarks covering numerical reasoning, fact-checking, and data analysis, TaTToo improves downstream policy LRMs by 30.9% at inference, surpasses strong PRM baselines such as Qwen-2.5-Math-PRM-72B with only 8B parameters, and demonstrates strong generalizability across diverse TTS strategies.

cs.AI↗

arXiv2025

Synthesize, Retrieve, and Propagate: A Unified Predictive Modeling Framework for Relational Databases

Relational databases (RDBs) have become the industry standard for storing massive and heterogeneous data. However, despite the widespread use of RDBs across various fields, the inherent structure of relational databases hinders their ability to benefit from flourishing deep learning methods. Previous research has primarily focused on exploiting the unary dependency among multiple tables in a relational database using the primary key - foreign key relationships, either joining multiple tables into a single table or constructing a graph among them, which leaves the implicit composite relations among different tables and a substantial potential of improvement for predictive modeling unexplored. In this paper, we propose SRP, a unified predictive modeling framework that synthesizes features using the unary dependency, retrieves related information to capture the composite dependency, and propagates messages across a constructed graph to learn adjacent patterns for prediction on relation databases. By introducing a new retrieval mechanism into RDB, SRP is designed to fully capture both the unary and the composite dependencies within a relational database, thereby enhancing the receptive field of tabular data prediction. In addition, we conduct a comprehensive analysis on the components of SRP, offering a nuanced understanding of model behaviors and practical guidelines for future applications. Extensive experiments on five real-world datasets demonstrate the effectiveness of SRP and its potential applicability in industrial scenarios. The code is released at https://github.com/NingLi670/SRP.

cs.DB↗

arXiv2025

Explicit Preference Optimization: No Need for an Implicit Reward Model

The generated responses of large language models (LLMs) are often fine-tuned to human preferences through a process called reinforcement learning from human feedback (RLHF). As RLHF relies on a challenging training sequence, whereby a separate reward model is independently learned and then later applied to LLM policy updates, ongoing research effort has targeted more straightforward alternatives. In this regard, direct preference optimization (DPO) and its many offshoots circumvent the need for a separate reward training step. Instead, through the judicious use of a reparameterization trick that induces an \textit{implicit} reward, DPO and related methods consolidate learning to the minimization of a single loss function. And yet despite demonstrable success in some real-world settings, we prove that DPO-based objectives are nonetheless subject to sub-optimal regularization and counter-intuitive interpolation behaviors, underappreciated artifacts of the reparameterizations upon which they are based. To this end, we introduce an \textit{explicit} preference optimization framework termed EXPO that requires no analogous reparameterization to achieve an implicit reward. Quite differently, we merely posit intuitively-appealing regularization factors from scratch that transparently avoid the potential pitfalls of key DPO variants, provably satisfying regularization desiderata that prior methods do not. Empirical results serve to corroborate our analyses and showcase the efficacy of EXPO.

cs.LG↗

arXiv2025

Sparse Autoencoders, Again?

Is there really much more to say about sparse autoencoders (SAEs)? Autoencoders in general, and SAEs in particular, represent deep architectures that are capable of modeling low-dimensional latent structure in data. Such structure could reflect, among other things, correlation patterns in large language model activations, or complex natural image manifolds. And yet despite the wide-ranging applicability, there have been relatively few changes to SAEs beyond the original recipe from decades ago, namely, standard deep encoder/decoder layers trained with a classical/deterministic sparse regularizer applied within the latent space. One possible exception is the variational autoencoder (VAE), which adopts a stochastic encoder module capable of producing sparse representations when applied to manifold data. In this work we formalize underappreciated weaknesses with both canonical SAEs, as well as analogous VAEs applied to similar tasks, and propose a hybrid alternative model that circumvents these prior limitations. In terms of theoretical support, we prove that global minima of our proposed model recover certain forms of structured data spread across a union of manifolds. Meanwhile, empirical evaluations on synthetic and real-world datasets substantiate the efficacy of our approach in accurately estimating underlying manifold dimensions and producing sparser latent representations without compromising reconstruction error. In general, we are able to exceed the performance of equivalent-capacity SAEs and VAEs, as well as recent diffusion models where applicable, within domains such as images and language model activation patterns.

cs.LG↗

arXiv2025

Griffin: Towards a Graph-Centric Relational Database Foundation Model

We introduce Griffin, the first foundation model attemptation designed specifically for Relational Databases (RDBs). Unlike previous smaller models focused on single RDB tasks, Griffin unifies the data encoder and task decoder to handle diverse tasks. Additionally, we enhance the architecture by incorporating a cross-attention module and a novel aggregator. Griffin utilizes pretraining on both single-table and RDB datasets, employing advanced encoders for categorical, numerical, and metadata features, along with innovative components such as cross-attention modules and enhanced message-passing neural networks (MPNNs) to capture the complexities of relational data. Evaluated on large-scale, heterogeneous, and temporal graphs extracted from RDBs across various domains (spanning over 150 million nodes), Griffin demonstrates superior or comparable performance to individually trained models, excels in low-data scenarios, and shows strong transferability with similarity and diversity in pretraining across new datasets and tasks, highlighting its potential as a universally applicable foundation model for RDBs. Code available at https://github.com/yanxwb/Griffin.

cs.LG↗

arXiv2025

Prior-Fitted Networks Scale to Larger Datasets When Treated as Weak Learners

Prior-Fitted Networks (PFNs) have recently been proposed to efficiently perform tabular classification tasks. Although they achieve good performance on small datasets, they encounter limitations with larger datasets. These limitations include significant memory consumption and increased computational complexity, primarily due to the impracticality of incorporating all training samples as inputs within these networks. To address these challenges, we investigate the fitting assumption for PFNs and input samples. Building on this understanding, we propose \textit{BoostPFN} designed to enhance the performance of these networks, especially for large-scale datasets. We also theoretically validate the convergence of BoostPFN and our empirical results demonstrate that the BoostPFN method can outperform standard PFNs with the same size of training samples in large datasets and achieve a significant acceleration in training times compared to other established baselines in the field, including widely-used Gradient Boosting Decision Trees (GBDTs), deep learning methods and AutoML systems. High performance is maintained for up to 50x of the pre-training size of PFNs, substantially extending the limit of training samples. Through this work, we address the challenges of efficiently handling large datasets via PFN-based models, paving the way for faster and more effective tabular data classification training and prediction process. Code is available at Github.

cs.LG↗

arXiv2025

Learning to Fuse Temporal Proximity Networks: A Case Study in Chimpanzee Social Interactions

How can we identify groups of primate individuals which could be conjectured to drive social structure? To address this question, one of us has collected a time series of data for social interactions between chimpanzees. Here we use a network representation, leading to the task of combining these data into a time series of a single weighted network per time stamp, where different proximities should be given different weights reflecting their relative importance. We optimize these proximity-type weights in a principled way, using an innovative loss function which rewards structural consistency for consecutive time steps. The approach is empirically validated by carefully designed synthetic data. Using statistical tests, we provide a way of identifying groups of individuals that stay related for a significant length of time. Applying the approach to the chimpanzee data set, we detect cliques in the animal social network time series, which can be validated by real-world intuition from prior research and qualitative observations by chimpanzee experts.

stat.ML↗

arXiv2024

ELF-Gym: Evaluating Large Language Models Generated Features for Tabular Prediction

Crafting effective features is a crucial yet labor-intensive and domain-specific task within machine learning pipelines. Fortunately, recent advancements in Large Language Models (LLMs) have shown promise in automating various data science tasks, including feature engineering. But despite this potential, evaluations thus far are primarily based on the end performance of a complete ML pipeline, providing limited insight into precisely how LLMs behave relative to human experts in feature engineering. To address this gap, we propose ELF-Gym, a framework for Evaluating LLM-generated Features. We curated a new dataset from historical Kaggle competitions, including 251 "golden" features used by top-performing teams. ELF-Gym then quantitatively evaluates LLM-generated features by measuring their impact on downstream model performance as well as their alignment with expert-crafted features through semantic and functional similarity assessments. This approach provides a more comprehensive evaluation of disparities between LLMs and human experts, while offering valuable insights into specific areas where LLMs may have room for improvement. For example, using ELF-Gym we empirically demonstrate that, in the best-case scenario, LLMs can semantically capture approximately 56% of the golden features, but at the more demanding implementation level this overlap drops to 13%. Moreover, in other cases LLMs may fail completely, particularly on datasets that require complex features, indicating broad potential pathways for improvement.

cs.CL↗

arXiv2024

SGFormer: Single-Layer Graph Transformers with Approximation-Free Linear Complexity

Learning representations on large graphs is a long-standing challenge due to the inter-dependence nature. Transformers recently have shown promising performance on small graphs thanks to its global attention for capturing all-pair interactions beyond observed structures. Existing approaches tend to inherit the spirit of Transformers in language and vision tasks, and embrace complicated architectures by stacking deep attention-based propagation layers. In this paper, we attempt to evaluate the necessity of adopting multi-layer attentions in Transformers on graphs, which considerably restricts the efficiency. Specifically, we analyze a generic hybrid propagation layer, comprised of all-pair attention and graph-based propagation, and show that multi-layer propagation can be reduced to one-layer propagation, with the same capability for representation learning. It suggests a new technical path for building powerful and efficient Transformers on graphs, particularly through simplifying model architectures without sacrificing expressiveness. As exemplified by this work, we propose a Simplified Single-layer Graph Transformers (SGFormer), whose main component is a single-layer global attention that scales linearly w.r.t. graph sizes and requires none of any approximation for accommodating all-pair interactions. Empirically, SGFormer successfully scales to the web-scale graph ogbn-papers100M, yielding orders-of-magnitude inference acceleration over peer Transformers on medium-sized graphs, and demonstrates competitiveness with limited labeled data.

cs.LG↗

arXiv2024

Transformers from Diffusion: A Unified Framework for Neural Message Passing

Learning representations for structured data with certain geometries (e.g., observed or unobserved) is a fundamental challenge, wherein message passing neural networks (MPNNs) have become a de facto class of model solutions. In this paper, inspired by physical systems, we propose an energy-constrained diffusion model, which integrates the inductive bias of diffusion on manifolds with layer-wise constraints of energy minimization. We identify that the diffusion operators have a one-to-one correspondence with the energy functions implicitly descended by the diffusion process, and the finite-difference iteration for solving the energy-constrained diffusion system induces the propagation layers of various types of MPNNs operating on observed or latent structures. This leads to a unified mathematical framework for common neural architectures whose computational flows can be cast as message passing (or its special case), including MLPs, GNNs, and Transformers. Building on these insights, we devise a new class of neural message passing models, dubbed diffusion-inspired Transformers (DIFFormer), whose global attention layers are derived from the principled energy-constrained diffusion framework. Across diverse datasets ranging from real-world networks to images, texts, and physical particles, we demonstrate that the new model achieves promising performance in scenarios where the data structures are observed (as a graph), partially observed, or entirely unobserved.

cs.LG↗

arXiv2024

New Desiderata for Direct Preference Optimization

Large language models in the past have typically relied on some form of reinforcement learning with human feedback (RLHF) to better align model responses with human preferences. However, because of oft-observed instabilities when implementing these RLHF pipelines, various reparameterization techniques have recently been introduced to sidestep the need for separately learning an RL reward model. Instead, directly fine-tuning for human preferences is achieved via the minimization of a single closed-form training objective, a process originally referred to as direct preference optimization (DPO) and followed by several notable descendants. Although effective in certain real-world settings, we introduce new evaluation criteria that serve to highlight unresolved shortcomings in the ability of existing DPO methods to interpolate between a pre-trained reference model and empirical measures of human preferences, as well as unavoidable trade-offs in how low- and high-quality responses are regularized and constraints are handled. Our insights then motivate an alternative DPO-like loss that provably mitigates these limitations. Empirical results serve to corroborate notable aspects of our analyses.

cs.CL↗

arXiv2024

4DBInfer: A 4D Benchmarking Toolbox for Graph-Centric Predictive Modeling on Relational DBs

Although RDBs store vast amounts of rich, informative data spread across interconnected tables, the progress of predictive machine learning models as applied to such tasks arguably falls well behind advances in other domains such as computer vision or natural language processing. This deficit stems, at least in part, from the lack of established/public RDB benchmarks as needed for training and evaluation purposes. As a result, related model development thus far often defaults to tabular approaches trained on ubiquitous single-table benchmarks, or on the relational side, graph-based alternatives such as GNNs applied to a completely different set of graph datasets devoid of tabular characteristics. To more precisely target RDBs lying at the nexus of these two complementary regimes, we explore a broad class of baseline models predicated on: (i) converting multi-table datasets into graphs using various strategies equipped with efficient subsampling, while preserving tabular characteristics; and (ii) trainable models with well-matched inductive biases that output predictions based on these input subgraphs. Then, to address the dearth of suitable public benchmarks and reduce siloed comparisons, we assemble a diverse collection of (i) large-scale RDB datasets and (ii) coincident predictive tasks. From a delivery standpoint, we operationalize the above four dimensions (4D) of exploration within a unified, scalable open-source toolbox called 4DBInfer. We conclude by presenting evaluations using 4DBInfer, the results of which highlight the importance of considering each such dimension in the design of RDB predictive models, as well as the limitations of more naive approaches such as simply joining adjacent tables. Our source code is released at https://github.com/awslabs/multi-table-benchmark .

cs.LG↗

arXiv2024

BloomGML: Graph Machine Learning through the Lens of Bilevel Optimization

Bilevel optimization refers to scenarios whereby the optimal solution of a lower-level energy function serves as input features to an upper-level objective of interest. These optimal features typically depend on tunable parameters of the lower-level energy in such a way that the entire bilevel pipeline can be trained end-to-end. Although not generally presented as such, this paper demonstrates how a variety of graph learning techniques can be recast as special cases of bilevel optimization or simplifications thereof. In brief, building on prior work we first derive a more flexible class of energy functions that, when paired with various descent steps (e.g., gradient descent, proximal methods, momentum, etc.), form graph neural network (GNN) message-passing layers; critically, we also carefully unpack where any residual approximation error lies with respect to the underlying constituent message-passing functions. We then probe several simplifications of this framework to derive close connections with non-GNN-based graph learning approaches, including knowledge graph embeddings, various forms of label propagation, and efficient graph-regularized MLP models. And finally, we present supporting empirical results that demonstrate the versatility of the proposed bilevel lens, which we refer to as BloomGML, referencing that BiLevel Optimization Offers More Graph Machine Learning. Our code is available at https://github.com/amberyzheng/BloomGML. Let graph ML bloom.

cs.LG↗