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Bao Pham

Publications and source records attributed to Bao Pham.

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ARCHER: Amortized cross-specimen pose estimation for cryo-electron microscopy

Single-particle cryo-electron microscopy (cryo-EM) pose estimation is traditionally solved anew for each dataset, where iterative refinement is done from scratch while the estimator learns to store the molecule in its weights. In this work, we show that pose inference is a generalizable, specimen-agnostic operation when conditioned explicitly on a reference volume. We introduce ARCHER, an amortized contrastive classifier that models the pose posterior over a discrete rotation grid. Trained across a variety of protein structures, it operates zero-shot without retraining per structure. This transferability is grounded in Fourier-space information mechanics, where all specimen dependence is captured by the reference structure's power spectrum and spatial extent. ARCHER achieves a median angular error of 5.0{\deg} on 100 held-out test structures and 2.5{\deg} on experimental particles, matching dedicated estimators within 0.16 {\AA} in 3D reconstruction. Crucially, downstream conformational signal is preserved. The leading conformational coordinate correlates at 0.97 with deposited benchmarks, faithfully reconstructing free-energy basins and mobile domains. These results overall demonstrate that cryo-EM pose estimation can be generalized across different structures.

cs.LG

Language Diffusion Models are Associative Memories Capable of Retrieving Unseen Data

When do language diffusion models memorize their training data, and how to quantitatively assess their true generative regime? We address these questions by showing that Uniform-based Discrete Diffusion Models (UDDMs) fundamentally behave as Associative Memories (AMs) $\textit{with emergent creative capabilities}$. The core idea of an AM is to reliably recover stored data points as $\textit{memories}$ by establishing distinct basins of attraction around them. Historically, models like Hopfield networks use an explicit energy function to guarantee these stable attractors. We broaden this perspective by leveraging the observation that energy is not strictly necessary, as basins of attraction can also be formed via conditional likelihood maximization. By evaluating token recovery of $\textit{training}$ and $\textit{test}$ examples, we identify in UDDMs a sharp memorization-to-generalization transition governed by the size of the training dataset: as it increases, basins around training examples shrink and basins around unseen test examples expand, until both later converge to the same level. Crucially, we can detect this transition using only the conditional entropy of predicted token sequences: memorization is characterized by vanishing conditional entropy, while in the generalization regime the conditional entropy of most tokens remains finite. Thus, conditional entropy offers a practical probe for the memorization-to-generalization transition in deployed models.

cs.LG

Modern Methods in Associative Memory

Associative Memories like the famous Hopfield Networks are elegant models for describing fully recurrent neural networks whose fundamental job is to store and retrieve information. In the past few years they experienced a surge of interest due to novel theoretical results pertaining to their information storage capabilities, and their relationship with SOTA AI architectures, such as Transformers and Diffusion Models. These connections open up possibilities for interpreting the computation of traditional AI networks through the theoretical lens of Associative Memories. Additionally, novel Lagrangian formulations of these networks make it possible to design powerful distributed models that learn useful representations and inform the design of novel architectures. This tutorial provides an approachable introduction to Associative Memories, emphasizing the modern language and methods used in this area of research, with practical hands-on mathematical derivations and coding notebooks.

cs.LG

Memorization to Generalization: Emergence of Diffusion Models from Associative Memory

Dense Associative Memories (DenseAMs) are generalizations of Hopfield networks, which have superior information storage capacity and can store training data points (memories) at local minima of the energy landscape. When the amount of training data exceeds the critical memory storage capacity of these models, new local minima, which are different from the training data, emerge. In Associative Memory these emergent local minima are called $\textit{spurious}\; \textit{states}$, which hinder memory retrieval. In this work, we examine diffusion models (DMs) through the DenseAM lens, viewing their generative process as an attempt of a memory retrieval. In the small data regimes, DMs create distinct attractors for each training sample, akin to DenseAMs below the critical memory storage. As the training data size increases, they transition from memorization to generalization. We identify a critical intermediate phase, predicted by DenseAM theory -- the spurious states. In generative modeling, these states are no longer negative artifacts but rather are the first signs of generative capabilities. We characterize the basins of attraction, energy landscape curvature, and computational properties of these previously overlooked states. Their existence is demonstrated across a wide range of architectures and datasets.

cs.LG

CSAOT: Cooperative Multi-Agent System for Active Object Tracking

Object Tracking is essential for many computer vision applications, such as autonomous navigation, surveillance, and robotics. Unlike Passive Object Tracking (POT), which relies on static camera viewpoints to detect and track objects across consecutive frames, Active Object Tracking (AOT) requires a controller agent to actively adjust its viewpoint to maintain visual contact with a moving target in complex environments. Existing AOT solutions are predominantly single-agent-based, which struggle in dynamic and complex scenarios due to limited information gathering and processing capabilities, often resulting in suboptimal decision-making. Alleviating these limitations necessitates the development of a multi-agent system where different agents perform distinct roles and collaborate to enhance learning and robustness in dynamic and complex environments. Although some multi-agent approaches exist for AOT, they typically rely on external auxiliary agents, which require additional devices, making them costly. In contrast, we introduce the Collaborative System for Active Object Tracking (CSAOT), a method that leverages multi-agent deep reinforcement learning (MADRL) and a Mixture of Experts (MoE) framework to enable multiple agents to operate on a single device, thereby improving tracking performance and reducing costs. Our approach enhances robustness against occlusions and rapid motion while optimizing camera movements to extend tracking duration. We validated the effectiveness of CSAOT on various interactive maps with dynamic and stationary obstacles.

cs.CV

Losing dimensions: Geometric memorization in generative diffusion

Diffusion models power leading generative AI, but when and how they memorize training data, especially on low-dimensional manifolds, remains unclear. We find memorization emerges gradually, not abruptly: as data become scarce, diffusion models experience a smooth collapse where their capacity to vary across independent directions diminishes. Measuring latent dimensionality via the learned score field, we reveal how generative behavior increasingly centers on a few examples while other variations "freeze out". We propose a geometric memorization theory, showing that salient features collapse first, then finer details, leading to near point-wise replication. This mirrors physical systems condensing into a few low-energy configurations. Our theoretical predictions align with both synthetic and real data, identifying geometric memorization as a distinct phase between generalization and exact copying.

stat.ML

Energy Transformer

Our work combines aspects of three promising paradigms in machine learning, namely, attention mechanism, energy-based models, and associative memory. Attention is the power-house driving modern deep learning successes, but it lacks clear theoretical foundations. Energy-based models allow a principled approach to discriminative and generative tasks, but the design of the energy functional is not straightforward. At the same time, Dense Associative Memory models or Modern Hopfield Networks have a well-established theoretical foundation, and allow an intuitive design of the energy function. We propose a novel architecture, called the Energy Transformer (or ET for short), that uses a sequence of attention layers that are purposely designed to minimize a specifically engineered energy function, which is responsible for representing the relationships between the tokens. In this work, we introduce the theoretical foundations of ET, explore its empirical capabilities using the image completion task, and obtain strong quantitative results on the graph anomaly detection and graph classification tasks.

cs.LG