Deep Learning
The Theorems of Dr. David Blackwell and Their Contributions to Artificial Intelligence
Dr. David Blackwell was a mathematician and statistician of the first rank, whose contributions to statistical theory, game theory, and decision theory predated many of the algorithmic breakthroughs that define modern artificial intelligence. This survey examines three of his most consequential theoretical results the Rao Blackwell theorem, the Blackwell Approachability theorem, and the Blackwell Informativeness theorem (comparison of experiments) and traces their direct influence on contemporary AI and machine learning. We show that these results, developed primarily in the 1940s and 1950s, remain technically live across modern subfields including Markov Chain Monte Carlo inference, autonomous mobile robot navigation (SLAM), generative model training, no-regret online learning, reinforcement learning from human feedback (RLHF), large language model alignment, and information design. NVIDIAs 2024 decision to name their flagship GPU architecture (Blackwell) provides vivid testament to his enduring relevance. We also document an emerging frontier: explicit Rao Blackwellized variance reduction in LLM RLHF pipelines, recently proposed but not yet standard practice. Together, Blackwell theorems form a unified framework addressing information compression, sequential decision making under uncertainty, and the comparison of information sources precisely the problems at the core of modern AI.
In-Place Test-Time Training
Feng, Guhao, Luo, Shengjie, Hua, Kai, Zhang, Ge, He, Di, Huang, Wenhao, Cai, Tianle
The static ``train then deploy" paradigm fundamentally limits Large Language Models (LLMs) from dynamically adapting their weights in response to continuous streams of new information inherent in real-world tasks. Test-Time Training (TTT) offers a compelling alternative by updating a subset of model parameters (fast weights) at inference time, yet its potential in the current LLM ecosystem is hindered by critical barriers including architectural incompatibility, computational inefficiency and misaligned fast weight objectives for language modeling. In this work, we introduce In-Place Test-Time Training (In-Place TTT), a framework that seamlessly endows LLMs with Test-Time Training ability. In-Place TTT treats the final projection matrix of the ubiquitous MLP blocks as its adaptable fast weights, enabling a ``drop-in" enhancement for LLMs without costly retraining from scratch. Furthermore, we replace TTT's generic reconstruction objective with a tailored, theoretically-grounded objective explicitly aligned with the Next-Token-Prediction task governing autoregressive language modeling. This principled objective, combined with an efficient chunk-wise update mechanism, results in a highly scalable algorithm compatible with context parallelism. Extensive experiments validate our framework's effectiveness: as an in-place enhancement, it enables a 4B-parameter model to achieve superior performance on tasks with contexts up to 128k, and when pretrained from scratch, it consistently outperforms competitive TTT-related approaches. Ablation study results further provide deeper insights on our design choices. Collectively, our results establish In-Place TTT as a promising step towards a paradigm of continual learning in LLMs.
Effective Dynamics and Transition Pathways from Koopman-Inspired Neural Learning of Collective Variables
Sikorski, Alexander, Donati, Luca, Weber, Marcus, Schรผtte, Christof
The ISOKANN (Invariant Subspaces of Koopman Operators Learned by Artificial Neural Networks) framework provides a data-driven route to extract collective variables (CVs) and effective dynamics from complex molecular systems. In this work, we integrate the theoretical foundation of Koopman operators with Krylov-like subspace algorithms, and reduced dynamical modeling to build a coherent picture of how to describe metastable transitions in high-dimensional systems based on CVs. Starting from the identification of CVs based on dominant invariant subspaces, we derive the corresponding effective dynamics on the latent space and connect these to transition rates and times, committor functions, and transition pathways. The combination of Koopman-based learning and reduced-dimensional effective dynamics yields a principled framework for computing transition rates and pathways from simulation data. Numerical experiments on one-, two-, and three-dimensional benchmark potentials illustrate the ability of ISOKANN to reconstruct the coarse-grained kinetics and reproduce transition times across enthalpic and entropic barriers.
Cactus: Accelerating Auto-Regressive Decoding with Constrained Acceptance Speculative Sampling
Speculative sampling (SpS) has been successful in accelerating the decoding throughput of auto-regressive large language models by leveraging smaller draft models. SpS strictly enforces the generated distribution to match that of the verifier LLM. This is unnecessarily restrictive as slight variations of the verifier's distribution, such as sampling with top-$k$ or temperature, would also be acceptable. Typical acceptance sampling (TAS) alleviates this issue by accepting more tokens using entropy-based heuristics. However, this approach distorts the verifier distribution, potentially degrading output quality when the verifier encodes critical information. In this work, we formalize the speculative sampling algorithm through the lens of constrained optimization. Based on this formulation, we propose Cactus (constrained acceptance speculative sampling), a method that guarantees controlled divergence from the verifier distribution and increasing acceptance rates. Empirical results across a wide range of benchmarks confirm the effectiveness of our approach.
Ensemble-Based Dirichlet Modeling for Predictive Uncertainty and Selective Classification
Franzen, Courtney, Pourkamali-Anaraki, Farhad
Neural network classifiers trained with cross-entropy loss achieve strong predictive accuracy but lack the capability to provide inherent predictive uncertainty estimates, thus requiring external techniques to obtain these estimates. In addition, softmax scores for the true class can vary substantially across independent training runs, which limits the reliability of uncertainty-based decisions in downstream tasks. Evidential Deep Learning aims to address these limitations by producing uncertainty estimates in a single pass, but evidential training is highly sensitive to design choices including loss formulation, prior regularization, and activation functions. Therefore, this work introduces an alternative Dirichlet parameter estimation strategy by applying a method of moments estimator to ensembles of softmax outputs, with an optional maximum-likelihood refinement step. This ensemble-based construction decouples uncertainty estimation from the fragile evidential loss design while also mitigating the variability of single-run cross-entropy training, producing explicit Dirichlet predictive distributions. Across multiple datasets, we show that the improved stability and predictive uncertainty behavior of these ensemble-derived Dirichlet estimates translate into stronger performance in downstream uncertainty-guided applications such as prediction confidence scoring and selective classification.
The Geometric Alignment Tax: Tokenization vs. Continuous Geometry in Scientific Foundation Models
Foundation models for biology and physics optimize predictive accuracy, but their internal representations systematically fail to preserve the continuous geometry of the systems they model. We identify the root cause: the Geometric Alignment Tax, an intrinsic cost of forcing continuous manifolds through discrete categorical bottlenecks. Controlled ablations on synthetic dynamical systems demonstrate that replacing cross-entropy with a continuous head on an identical encoder reduces geometric distortion by up to 8.5x, while learned codebooks exhibit a non-monotonic double bind where finer quantization worsens geometry despite improving reconstruction. Under continuous objectives, three architectures differ by 1.3x; under discrete tokenization, they diverge by 3,000x. Evaluating 14 biological foundation models with rate-distortion theory and MINE, we identify three failure regimes: Local-Global Decoupling, Representational Compression, and Geometric Vacuity. A controlled experiment confirms that Evo 2's reverse-complement robustness on real DNA reflects conserved sequence composition, not learned symmetry. No model achieves simultaneously low distortion, high mutual information, and global coherence.
Relative Density Ratio Optimization for Stable and Statistically Consistent Model Alignment
Takahashi, Hiroshi, Iwata, Tomoharu, Kumagai, Atsutoshi, Kanai, Sekitoshi, Yamada, Masanori, Nishida, Kosuke, Shinoda, Kazutoshi
Aligning language models with human preferences is essential for ensuring their safety and reliability. Although most existing approaches assume specific human preference models such as the Bradley-Terry model, this assumption may fail to accurately capture true human preferences, and consequently, these methods lack statistical consistency, i.e., the guarantee that language models converge to the true human preference as the number of samples increases. In contrast, direct density ratio optimization (DDRO) achieves statistical consistency without assuming any human preference models. DDRO models the density ratio between preferred and non-preferred data distributions using the language model, and then optimizes it via density ratio estimation. However, this density ratio is unstable and often diverges, leading to training instability of DDRO. In this paper, we propose a novel alignment method that is both stable and statistically consistent. Our approach is based on the relative density ratio between the preferred data distribution and a mixture of the preferred and non-preferred data distributions. Our approach is stable since this relative density ratio is bounded above and does not diverge. Moreover, it is statistically consistent and yields significantly tighter convergence guarantees than DDRO. We experimentally show its effectiveness with Qwen 2.5 and Llama 3.
The ChatGPT Symptom Spiral
Be careful asking chatbots about your health. After George Mallon had his blood drawn at a routine physical, he learned that something may be gravely wrong. The preliminary results showed he might have blood cancer. Further tests would be needed. Left in suspense, he did what so many people do these days: He opened ChatGPT.
Time-Warping Recurrent Neural Networks for Transfer Learning
Dynamical systems describe how a physical system evolves over time. Physical processes can evolve faster or slower in different environmental conditions. We use time-warping as rescaling the time in a model of a physical system. This thesis proposes a new method of transfer learning for Recurrent Neural Networks (RNNs) based on time-warping. We prove that for a class of linear, first-order differential equations known as time lag models, an LSTM can approximate these systems with any desired accuracy, and the model can be time-warped while maintaining the approximation accuracy. The Time-Warping method of transfer learning is then evaluated in an applied problem on predicting fuel moisture content (FMC), an important concept in wildfire modeling. An RNN with LSTM recurrent layers is pretrained on fuels with a characteristic time scale of 10 hours, where there are large quantities of data available for training. The RNN is then modified with transfer learning to generate predictions for fuels with characteristic time scales of 1 hour, 100 hours, and 1000 hours. The Time-Warping method is evaluated against several known methods of transfer learning. The Time-Warping method produces predictions with an accuracy level comparable to the established methods, despite modifying only a small fraction of the parameters that the other methods modify.
Reinforcement Learning from Human Feedback: A Statistical Perspective
Liu, Pangpang, Shi, Chengchun, Sun, Will Wei
Reinforcement learning from human feedback (RLHF) has emerged as a central framework for aligning large language models (LLMs) with human preferences. Despite its practical success, RLHF raises fundamental statistical questions because it relies on noisy, subjective, and often heterogeneous feedback to learn reward models and optimize policies. This survey provides a statistical perspective on RLHF, focusing primarily on the LLM alignment setting. We introduce the main components of RLHF, including supervised fine-tuning, reward modeling, and policy optimization, and relate them to familiar statistical ideas such as Bradley-Terry-Luce (BTL) model, latent utility estimation, active learning, experimental design, and uncertainty quantification. We review methods for learning reward functions from pairwise preference data and for optimizing policies through both two-stage RLHF pipelines and emerging one-stage approaches such as direct preference optimization. We further discuss recent extensions including reinforcement learning from AI feedback, inference-time algorithms, and reinforcement learning from verifiable rewards, as well as benchmark datasets, evaluation protocols, and open-source frameworks that support RLHF research. We conclude by highlighting open challenges in RLHF. An accompanying GitHub demo https://github.com/Pangpang-Liu/RLHF_demo illustrates key components of the RLHF pipeline.