Benjamin Hoover

Hendrik Strobelt, Albert Webson, Victor Sanh et al. · deepmind, ibm-research

State-of-the-art neural language models can now be used to solve ad-hoc language tasks through zero-shot prompting without the need for supervised training. This approach has gained popularity in recent years, and researchers have demonstrated prompts that achieve strong accuracy on specific NLP tasks. However, finding a prompt for new tasks requires experimentation. Different prompt templates with different wording choices lead to significant accuracy differences. PromptIDE allows users to experiment with prompt variations, visualize prompt performance, and iteratively optimize prompts. We developed a workflow that allows users to first focus on model feedback using small data before moving on to a large data regime that allows empirical grounding of promising prompts using quantitative measures of the task. The tool then allows easy deployment of the newly created ad-hoc models. We demonstrate the utility of PromptIDE (demo at http://prompt.vizhub.ai) and our workflow using several real-world use cases.

Aeree Cho, Grace C. Kim, Alexander Karpekov et al. · gatech, ibm-research

Transformers have revolutionized machine learning, yet their inner workings remain opaque to many. We present Transformer Explainer, an interactive visualization tool designed for non-experts to learn about Transformers through the GPT-2 model. Our tool helps users understand complex Transformer concepts by integrating a model overview and enabling smooth transitions across abstraction levels of mathematical operations and model structures. It runs a live GPT-2 instance locally in the user's browser, empowering users to experiment with their own input and observe in real-time how the internal components and parameters of the Transformer work together to predict the next tokens. Our tool requires no installation or special hardware, broadening the public's education access to modern generative AI techniques. Our open-sourced tool is available at https://poloclub.github.io/transformer-explainer/. A video demo is available at https://youtu.be/ECR4oAwocjs.

Zijie J. Wang, Evan Montoya, David Munechika et al. · gatech, ibm-research

With recent advancements in diffusion models, users can generate high-quality images by writing text prompts in natural language. However, generating images with desired details requires proper prompts, and it is often unclear how a model reacts to different prompts or what the best prompts are. To help researchers tackle these critical challenges, we introduce DiffusionDB, the first large-scale text-to-image prompt dataset totaling 6.5TB, containing 14 million images generated by Stable Diffusion, 1.8 million unique prompts, and hyperparameters specified by real users. We analyze the syntactic and semantic characteristics of prompts. We pinpoint specific hyperparameter values and prompt styles that can lead to model errors and present evidence of potentially harmful model usage, such as the generation of misinformation. The unprecedented scale and diversity of this human-actuated dataset provide exciting research opportunities in understanding the interplay between prompts and generative models, detecting deepfakes, and designing human-AI interaction tools to help users more easily use these models. DiffusionDB is publicly available at: https://poloclub.github.io/diffusiondb.

Benjamin Hoover, Yuchen Liang, Bao Pham et al. · gatech, ibm-research

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.

Zahra Ashktorab, Benjamin Hoover, Mayank Agarwal et al. · ibm-research

Mitigating algorithmic bias is a critical task in the development and deployment of machine learning models. While several toolkits exist to aid machine learning practitioners in addressing fairness issues, little is known about the strategies practitioners employ to evaluate model fairness and what factors influence their assessment, particularly in the context of text classification. Two common approaches of evaluating the fairness of a model are group fairness and individual fairness. We run a study with Machine Learning practitioners (n=24) to understand the strategies used to evaluate models. Metrics presented to practitioners (group vs. individual fairness) impact which models they consider fair. Participants focused on risks associated with underpredicting/overpredicting and model sensitivity relative to identity token manipulations. We discover fairness assessment strategies involving personal experiences or how users form groups of identity tokens to test model fairness. We provide recommendations for interactive tools for evaluating fairness in text classification.

Benjamin Hoover, Hendrik Strobelt, Dmitry Krotov et al. · gatech, ibm-research

The generative process of Diffusion Models (DMs) has recently set state-of-the-art on many AI generation benchmarks. Though the generative process is traditionally understood as an "iterative denoiser", there is no universally accepted language to describe it. We introduce a novel perspective to describe DMs using the mathematical language of memory retrieval from the field of energy-based Associative Memories (AMs), making efforts to keep our presentation approachable to newcomers to both of these fields. Unifying these two fields provides insight that DMs can be seen as a particular kind of AM where Lyapunov stability guarantees are bypassed by intelligently engineering the dynamics (i.e., the noise and step size schedules) of the denoising process. Finally, we present a growing body of evidence that records DMs exhibiting empirical behavior we would expect from AMs, and conclude by discussing research opportunities that are revealed by understanding DMs as a form of energy-based memory.

Nima Dehmamy, Benjamin Hoover, Bishwajit Saha et al.

Generative Pre-trained Transformer (GPT) architectures are the most popular design for language modeling. Energy-based modeling is a different paradigm that views inference as a dynamical process operating on an energy landscape. We propose a minimal modification of the GPT setting to unify it with the EBM framework. The inference step of our model, which we call eNeRgy-GPT (NRGPT), is conceptualized as an exploration of the tokens on the energy landscape. We prove, and verify empirically, that under certain circumstances this exploration becomes gradient descent, although they don't necessarily lead to the best performing models. We demonstrate that our model performs well for simple language (Shakespeare dataset), algebraic ListOPS tasks, and richer settings such as OpenWebText language modeling. We also observe that our models may be more resistant to overfitting, doing so only during very long training.

Seongmin Lee, Benjamin Hoover, Hendrik Strobelt et al. · gatech, ibm-research

Diffusion-based generative models' impressive ability to create convincing images has garnered global attention. However, their complex internal structures and operations often pose challenges for non-experts to grasp. We introduce Diffusion Explainer, the first interactive visualization tool designed to elucidate how Stable Diffusion transforms text prompts into images. It tightly integrates a visual overview of Stable Diffusion's complex components with detailed explanations of their underlying operations. This integration enables users to fluidly transition between multiple levels of abstraction through animations and interactive elements. Offering real-time hands-on experience, Diffusion Explainer allows users to adjust Stable Diffusion's hyperparameters and prompts without the need for installation or specialized hardware. Accessible via users' web browsers, Diffusion Explainer is making significant strides in democratizing AI education, fostering broader public access. More than 7,200 users spanning 113 countries have used our open-sourced tool at https://poloclub.github.io/diffusion-explainer/. A video demo is available at https://youtu.be/MbkIADZjPnA.

Alec Helbling, Sebastian Gutierrez Hernandez, Benjamin Hoover et al.

Recent work has shown that models flow matching models can be trained without explicit time conditioning, challenging the standard view that the interpolation time is needed to disambiguate velocity targets. But why should a time-blind model work at all? Decomposing the time-blind flow matching loss, we identify two sources of irreducible error: a coupling variance, which arises from ambiguous velocity targets induced by how noise and data points are paired, and the time-blindness gap, which is the additional error caused by ignoring time. This gap shows that time-blind training is strictly harder than conventional training, reinforcing the puzzle that time-blind models work so well in practice. We resolve this tension by showing that the geometry of high-dimensional data makes time identifiable directly from noisy observations. When data concentrates near a $k$-dimensional subspace, time can be recovered from the statistical structure of noisy interpolants in directions orthogonal to the data; under a spiked-covariance model, this yields a closed-form estimator that recovers $t$ from a single observation $z$ at rate $O(1/\sqrt{d-k})$ for ambient dimension $d$. As a consequence, we prove that the time-blindness gap is asymptotically negligible relative to the coupling variance. We empirically demonstrate our identifiability result on real-world data and show that changing the coupling has a much larger effect on loss and sample quality than removing time conditioning across CIFAR-10, CelebA-HQ, and FFHQ. These results explain why time-blind flow matching works and show that the main practical lever is the choice of coupling, not explicit time conditioning.

Benjamin Hoover, Duen Horng Chau, Hendrik Strobelt et al. · gatech, ibm-research

Dense Associative Memories are high storage capacity variants of the Hopfield networks that are capable of storing a large number of memory patterns in the weights of the network of a given size. Their common formulations typically require storing each pattern in a separate set of synaptic weights, which leads to the increase of the number of synaptic weights when new patterns are introduced. In this work we propose an alternative formulation of this class of models using random features, commonly used in kernel methods. In this formulation the number of network's parameters remains fixed. At the same time, new memories can be added to the network by modifying existing weights. We show that this novel network closely approximates the energy function and dynamics of conventional Dense Associative Memories and shares their desirable computational properties.

Dmitry Krotov, Benjamin Hoover, Parikshit Ram et al.

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.

Benjamin Hoover, Zhaoyang Shi, Krishnakumar Balasubramanian et al.

We propose a novel energy function for Dense Associative Memory (DenseAM) networks, the log-sum-ReLU (LSR), inspired by optimal kernel density estimation. Unlike the common log-sum-exponential (LSE) function, LSR is based on the Epanechnikov kernel and enables exact memory retrieval with exponential capacity without requiring exponential separation functions. Moreover, it introduces abundant additional \emph{emergent} local minima while preserving perfect pattern recovery -- a characteristic previously unseen in DenseAM literature. Empirical results show that LSR energy has significantly more local minima (memories) that have comparable log-likelihood to LSE-based models. Analysis of LSR's emergent memories on image datasets reveals a degree of creativity and novelty, hinting at this method's potential for both large-scale memory storage and generative tasks.

Csaba Both, Benjamin Hoover, Hendrik Strobelt et al.

The ability of a model to learn a task depends strongly on both the task difficulty and the model size. We aim to understand how task difficulty relates to the minimum number of parameters required for learning specific tasks in small transformer models. Our study focuses on the ListOps dataset, which consists of nested mathematical operations. We gradually increase task difficulty by introducing new operations or combinations of operations into the training data. We observe that sum modulo n is the hardest to learn. Curiously, when combined with other operations such as maximum and median, the sum operation becomes easier to learn and requires fewer parameters. We show that joint training not only improves performance but also leads to qualitatively different model behavior. We show evidence that models trained only on SUM might be memorizing and fail to capture the number structure in the embeddings. In contrast, models trained on a mixture of SUM and other operations exhibit number-like representations in the embedding space, and a strong ability to distinguish parity. Furthermore, the SUM-only model relies more heavily on its feedforward layers, while the jointly trained model activates the attention mechanism more. Finally, we show that learning pure SUM can be induced in models below the learning threshold of pure SUM, by pretraining them on MAX+MED. Our findings indicate that emergent abilities in language models depend not only on model size, but also the training curriculum.

Seongmin Lee, Benjamin Hoover, Hendrik Strobelt et al.

Diffusion-based generative models' impressive ability to create convincing images has garnered global attention. However, their complex structures and operations often pose challenges for non-experts to grasp. We present Diffusion Explainer, the first interactive visualization tool that explains how Stable Diffusion transforms text prompts into images. Diffusion Explainer tightly integrates a visual overview of Stable Diffusion's complex structure with explanations of the underlying operations. By comparing image generation of prompt variants, users can discover the impact of keyword changes on image generation. A 56-participant user study demonstrates that Diffusion Explainer offers substantial learning benefits to non-experts. Our tool has been used by over 10,300 users from 124 countries at https://poloclub.github.io/diffusion-explainer/.

Haekyu Park, Seongmin Lee, Benjamin Hoover et al.

We present ConceptEvo, a unified interpretation framework for deep neural networks (DNNs) that reveals the inception and evolution of learned concepts during training. Our work addresses a critical gap in DNN interpretation research, as existing methods primarily focus on post-training interpretation. ConceptEvo introduces two novel technical contributions: (1) an algorithm that generates a unified semantic space, enabling side-by-side comparison of different models during training, and (2) an algorithm that discovers and quantifies important concept evolutions for class predictions. Through a large-scale human evaluation and quantitative experiments, we demonstrate that ConceptEvo successfully identifies concept evolutions across different models, which are not only comprehensible to humans but also crucial for class predictions. ConceptEvo is applicable to both modern DNN architectures, such as ConvNeXt, and classic DNNs, such as VGGs and InceptionV3.

Hendrik Strobelt, Benjamin Hoover, Arvind Satyanarayan et al.

While different language models are ubiquitous in NLP, it is hard to contrast their outputs and identify which contexts one can handle better than the other. To address this question, we introduce LMdiff, a tool that visually compares probability distributions of two models that differ, e.g., through finetuning, distillation, or simply training with different parameter sizes. LMdiff allows the generation of hypotheses about model behavior by investigating text instances token by token and further assists in choosing these interesting text instances by identifying the most interesting phrases from large corpora. We showcase the applicability of LMdiff for hypothesis generation across multiple case studies. A demo is available at http://lmdiff.net .

Angie Boggust, Benjamin Hoover, Arvind Satyanarayan et al.

Saliency methods -- techniques to identify the importance of input features on a model's output -- are a common step in understanding neural network behavior. However, interpreting saliency requires tedious manual inspection to identify and aggregate patterns in model behavior, resulting in ad hoc or cherry-picked analysis. To address these concerns, we present Shared Interest: metrics for comparing model reasoning (via saliency) to human reasoning (via ground truth annotations). By providing quantitative descriptors, Shared Interest enables ranking, sorting, and aggregating inputs, thereby facilitating large-scale systematic analysis of model behavior. We use Shared Interest to identify eight recurring patterns in model behavior, such as cases where contextual features or a subset of ground truth features are most important to the model. Working with representative real-world users, we show how Shared Interest can be used to decide if a model is trustworthy, uncover issues missed in manual analyses, and enable interactive probing.

Eden Bensaid, Mauro Martino, Benjamin Hoover et al.

Storytelling is an open-ended task that entails creative thinking and requires a constant flow of ideas. Natural language generation (NLG) for storytelling is especially challenging because it requires the generated text to follow an overall theme while remaining creative and diverse to engage the reader. In this work, we introduce a system and a web-based demo, FairyTailor, for human-in-the-loop visual story co-creation. Users can create a cohesive children's fairytale by weaving generated texts and retrieved images with their input. FairyTailor adds another modality and modifies the text generation process to produce a coherent and creative sequence of text and images. To our knowledge, this is the first dynamic tool for multimodal story generation that allows interactive co-formation of both texts and images. It allows users to give feedback on co-created stories and share their results.

Yuchen Liang, Chaitanya K. Ryali, Benjamin Hoover et al.

The mushroom body of the fruit fly brain is one of the best studied systems in neuroscience. At its core it consists of a population of Kenyon cells, which receive inputs from multiple sensory modalities. These cells are inhibited by the anterior paired lateral neuron, thus creating a sparse high dimensional representation of the inputs. In this work we study a mathematical formalization of this network motif and apply it to learning the correlational structure between words and their context in a corpus of unstructured text, a common natural language processing (NLP) task. We show that this network can learn semantic representations of words and can generate both static and context-dependent word embeddings. Unlike conventional methods (e.g., BERT, GloVe) that use dense representations for word embedding, our algorithm encodes semantic meaning of words and their context in the form of sparse binary hash codes. The quality of the learned representations is evaluated on word similarity analysis, word-sense disambiguation, and document classification. It is shown that not only can the fruit fly network motif achieve performance comparable to existing methods in NLP, but, additionally, it uses only a fraction of the computational resources (shorter training time and smaller memory footprint).

Vijil Chenthamarakshan, Payel Das, Samuel C. Hoffman et al.

The novel nature of SARS-CoV-2 calls for the development of efficient de novo drug design approaches. In this study, we propose an end-to-end framework, named CogMol (Controlled Generation of Molecules), for designing new drug-like small molecules targeting novel viral proteins with high affinity and off-target selectivity. CogMol combines adaptive pre-training of a molecular SMILES Variational Autoencoder (VAE) and an efficient multi-attribute controlled sampling scheme that uses guidance from attribute predictors trained on latent features. To generate novel and optimal drug-like molecules for unseen viral targets, CogMol leverages a protein-molecule binding affinity predictor that is trained using SMILES VAE embeddings and protein sequence embeddings learned unsupervised from a large corpus. CogMol framework is applied to three SARS-CoV-2 target proteins: main protease, receptor-binding domain of the spike protein, and non-structural protein 9 replicase. The generated candidates are novel at both molecular and chemical scaffold levels when compared to the training data. CogMol also includes insilico screening for assessing toxicity of parent molecules and their metabolites with a multi-task toxicity classifier, synthetic feasibility with a chemical retrosynthesis predictor, and target structure binding with docking simulations. Docking reveals favorable binding of generated molecules to the target protein structure, where 87-95 % of high affinity molecules showed docking free energy < -6 kcal/mol. When compared to approved drugs, the majority of designed compounds show low parent molecule and metabolite toxicity and high synthetic feasibility. In summary, CogMol handles multi-constraint design of synthesizable, low-toxic, drug-like molecules with high target specificity and selectivity, and does not need target-dependent fine-tuning of the framework or target structure information.

Benjamin Hoover, Hendrik Strobelt, Sebastian Gehrmann

Large language models can produce powerful contextual representations that lead to improvements across many NLP tasks. Since these models are typically guided by a sequence of learned self attention mechanisms and may comprise undesired inductive biases, it is paramount to be able to explore what the attention has learned. While static analyses of these models lead to targeted insights, interactive tools are more dynamic and can help humans better gain an intuition for the model-internal reasoning process. We present exBERT, an interactive tool named after the popular BERT language model, that provides insights into the meaning of the contextual representations by matching a human-specified input to similar contexts in a large annotated dataset. By aggregating the annotations of the matching similar contexts, exBERT helps intuitively explain what each attention-head has learned.