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Large Language Models (LLMs) have reshaped the landscape of artificial intelligence by demonstrating exceptional performance across various tasks. However, substantial computational requirements make their deployment challenging on devices with limited resources. Recently, compression methods using low-rank matrix techniques have shown promise, yet these often lead to degraded accuracy or introduce significant overhead in parameters and inference latency. This paper introduces \textbf{Mo}dular \textbf{De}composition (MoDeGPT), a novel structured compression framework that does not need recovery fine-tuning while resolving the above drawbacks. MoDeGPT partitions the Transformer block into modules comprised of matrix pairs and reduces the hidden dimensions via reconstructing the module-level outputs. MoDeGPT is developed based on a theoretical framework that utilizes three well-established matrix decomposition algorithms -- Nystr\"om approximation, CR decomposition, and SVD -- and applies them to our redefined transformer modules. Our comprehensive experiments show MoDeGPT, without backward propagation, matches or surpasses previous structured compression methods that rely on gradient information, and saves 98% of compute costs on compressing a 13B model. On \textsc{Llama}-2/3 and OPT models, MoDeGPT maintains 90-95% zero-shot performance with 25-30% compression rates. Moreover, the compression can be done on a single GPU within a few hours and increases the inference throughput by up to 46%., Comment: 31 pages, 9 figures

3D generative models have shown significant promise in structure-based drug design (SBDD), particularly in discovering ligands tailored to specific target binding sites. Existing algorithms often focus primarily on ligand-target binding, characterized by binding affinity. Moreover, models trained solely on target-ligand distribution may fall short in addressing the broader objectives of drug discovery, such as the development of novel ligands with desired properties like drug-likeness, and synthesizability, underscoring the multifaceted nature of the drug design process. To overcome these challenges, we decouple the problem into molecular generation and property prediction. The latter synergistically guides the diffusion sampling process, facilitating guided diffusion and resulting in the creation of meaningful molecules with the desired properties. We call this guided molecular generation process as TAGMol. Through experiments on benchmark datasets, TAGMol demonstrates superior performance compared to state-of-the-art baselines, achieving a 22% improvement in average Vina Score and yielding favorable outcomes in essential auxiliary properties. This establishes TAGMol as a comprehensive framework for drug generation.

Automatically detecting and recovering from failures is an important but challenging problem for autonomous robots. Most of the recent work on learning to plan from demonstrations lacks the ability to detect and recover from errors in the absence of an explicit state representation and/or a (sub-) goal check function. We propose an approach (blending learning with symbolic search) for automated error discovery and recovery, without needing annotated data of failures. Central to our approach is a neuro-symbolic state representation, in the form of dense scene graph, structured based on the objects present within the environment. This enables efficient learning of the transition function and a discriminator that not only identifies failures but also localizes them facilitating fast re-planning via computation of heuristic distance function. We also present an anytime version of our algorithm, where instead of recovering to the last correct state, we search for a sub-goal in the original plan minimizing the total distance to the goal given a re-planning budget. Experiments on a physics simulator with a variety of simulated failures show the effectiveness of our approach compared to existing baselines, both in terms of efficiency as well as accuracy of our recovery mechanism., Comment: This work has been submitted to the IEEE for possible publication

Traditional language models operate autoregressively, i.e., they predict one token at a time. Rapid explosion in model sizes has resulted in high inference times. In this work, we propose DynaMo, a suite of multi-token prediction language models that reduce net inference times. Our models $\textit{dynamically}$ predict multiple tokens based on their confidence in the predicted joint probability distribution. We propose a lightweight technique to train these models, leveraging the weights of traditional autoregressive counterparts. Moreover, we propose novel ways to enhance the estimated joint probability to improve text generation quality, namely co-occurrence weighted masking and adaptive thresholding. We also propose systematic qualitative and quantitative methods to rigorously test the quality of generated text for non-autoregressive generation. One of the models in our suite, DynaMo-7.3B-T3, achieves same-quality generated text as the baseline (Pythia-6.9B) while achieving 2.57$\times$ speed-up with only 5.87% and 2.67% parameter and training time overheads, respectively., Comment: Accepted at NAACL 2024

Given the task of positioning a ball-like object to a goal region beyond direct reach, humans can often throw, slide, or rebound objects against the wall to attain the goal. However, enabling robots to reason similarly is non-trivial. Existing methods for physical reasoning are data-hungry and struggle with complexity and uncertainty inherent in the real world. This paper presents PhyPlan, a novel physics-informed planning framework that combines physics-informed neural networks (PINNs) with modified Monte Carlo Tree Search (MCTS) to enable embodied agents to perform dynamic physical tasks. PhyPlan leverages PINNs to simulate and predict outcomes of actions in a fast and accurate manner and uses MCTS for planning. It dynamically determines whether to consult a PINN-based simulator (coarse but fast) or engage directly with the actual environment (fine but slow) to determine optimal policy. Given an unseen task, PhyPlan can infer the sequence of actions and learn the latent parameters, resulting in a generalizable approach that can rapidly learn to perform novel physical tasks. Evaluation with robots in simulated 3D environments demonstrates the ability of our approach to solve 3D-physical reasoning tasks involving the composition of dynamic skills. Quantitatively, PhyPlan excels in several aspects: (i) it achieves lower regret when learning novel tasks compared to the state-of-the-art, (ii) it expedites skill learning and enhances the speed of physical reasoning, (iii) it demonstrates higher data efficiency compared to a physics un-informed approach., Comment: arXiv admin note: substantial text overlap with arXiv:2402.15767

When working with 3D facial data, improving fidelity and avoiding the uncanny valley effect is critically dependent on accurate 3D facial performance capture. Because such methods are expensive and due to the widespread availability of 2D videos, recent methods have focused on how to perform monocular 3D face tracking. However, these methods often fall short in capturing precise facial movements due to limitations in their network architecture, training, and evaluation processes. Addressing these challenges, we propose a novel face tracker, FlowFace, that introduces an innovative 2D alignment network for dense per-vertex alignment. Unlike prior work, FlowFace is trained on high-quality 3D scan annotations rather than weak supervision or synthetic data. Our 3D model fitting module jointly fits a 3D face model from one or many observations, integrating existing neutral shape priors for enhanced identity and expression disentanglement and per-vertex deformations for detailed facial feature reconstruction. Additionally, we propose a novel metric and benchmark for assessing tracking accuracy. Our method exhibits superior performance on both custom and publicly available benchmarks. We further validate the effectiveness of our tracker by generating high-quality 3D data from 2D videos, which leads to performance gains on downstream tasks., Comment: 22 pages, 25 figures, to be published in CVPR 2024

Our goal is to enable embodied agents to learn inductively generalizable spatial concepts, e.g., learning staircase as an inductive composition of towers of increasing height. Given a human demonstration, we seek a learning architecture that infers a succinct ${program}$ representation that explains the observed instance. Additionally, the approach should generalize inductively to novel structures of different sizes or complex structures expressed as a hierarchical composition of previously learned concepts. Existing approaches that use code generation capabilities of pre-trained large (visual) language models, as well as purely neural models, show poor generalization to a-priori unseen complex concepts. Our key insight is to factor inductive concept learning as (i) ${\it Sketch:}$ detecting and inferring a coarse signature of a new concept (ii) ${\it Plan:}$ performing MCTS search over grounded action sequences (iii) ${\it Generalize:}$ abstracting out grounded plans as inductive programs. Our pipeline facilitates generalization and modular reuse, enabling continual concept learning. Our approach combines the benefits of the code generation ability of large language models (LLM) along with grounded neural representations, resulting in neuro-symbolic programs that show stronger inductive generalization on the task of constructing complex structures in relation to LLM-only and neural-only approaches. Furthermore, we demonstrate reasoning and planning capabilities with learned concepts for embodied instruction following.

Manipulating unseen objects is challenging without a 3D representation, as objects generally have occluded surfaces. This requires physical interaction with objects to build their internal representations. This paper presents an approach that enables a robot to rapidly learn the complete 3D model of a given object for manipulation in unfamiliar orientations. We use an ensemble of partially constructed NeRF models to quantify model uncertainty to determine the next action (a visual or re-orientation action) by optimizing informativeness and feasibility. Further, our approach determines when and how to grasp and re-orient an object given its partial NeRF model and re-estimates the object pose to rectify misalignments introduced during the interaction. Experiments with a simulated Franka Emika Robot Manipulator operating in a tabletop environment with benchmark objects demonstrate an improvement of (i) 14% in visual reconstruction quality (PSNR), (ii) 20% in the geometric/depth reconstruction of the object surface (F-score) and (iii) 71% in the task success rate of manipulating objects a-priori unseen orientations/stable configurations in the scene; over current methods. The project page can be found here: https://actnerf.github.io., Comment: This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessible

Given the task of positioning a ball-like object to a goal region beyond direct reach, humans can often throw, slide, or rebound objects against the wall to attain the goal. However, enabling robots to reason similarly is non-trivial. Existing methods for physical reasoning are data-hungry and struggle with complexity and uncertainty inherent in the real world. This paper presents PhyPlan, a novel physics-informed planning framework that combines physics-informed neural networks (PINNs) with modified Monte Carlo Tree Search (MCTS) to enable embodied agents to perform dynamic physical tasks. PhyPlan leverages PINNs to simulate and predict outcomes of actions in a fast and accurate manner and uses MCTS for planning. It dynamically determines whether to consult a PINN-based simulator (coarse but fast) or engage directly with the actual environment (fine but slow) to determine optimal policy. Evaluation with robots in simulated 3D environments demonstrates the ability of our approach to solve 3D-physical reasoning tasks involving the composition of dynamic skills. Quantitatively, PhyPlan excels in several aspects: (i) it achieves lower regret when learning novel tasks compared to state-of-the-art, (ii) it expedites skill learning and enhances the speed of physical reasoning, (iii) it demonstrates higher data efficiency compared to a physics un-informed approach.

California's significant role as the second-largest consumer of energy in the United States underscores the importance of accurate energy consumption predictions. With a thriving industrial sector, a burgeoning population, and ambitious environmental goals, the state's energy landscape is dynamic and complex. This paper presents a comprehensive analysis of California's energy consumption trends and provides detailed forecasting models for different energy sources and sectors. The study leverages ARIMA and ARIMAX models, considering both historical consumption data and exogenous variables. We address the unique challenges posed by the COVID-19 pandemic and the limited data for 2022, highlighting the resilience of these models in the face of uncertainty. Our analysis reveals that while fossil fuels continue to dominate California's energy landscape, renewable energy sources, particularly solar and biomass, are experiencing substantial growth. Hydroelectric power, while sensitive to precipitation, remains a significant contributor to renewable energy consumption. Furthermore, we anticipate ongoing efforts to reduce fossil fuel consumption. The forecasts for energy consumption by sector suggest continued growth in the commercial and residential sectors, reflecting California's expanding economy and population. In contrast, the industrial sector is expected to experience more moderate changes, while the transportation sector remains the largest energy consumer.

Retrieval-augmented language models can better adapt to changes in world state and incorporate long-tail knowledge. However, most existing methods retrieve only short contiguous chunks from a retrieval corpus, limiting holistic understanding of the overall document context. We introduce the novel approach of recursively embedding, clustering, and summarizing chunks of text, constructing a tree with differing levels of summarization from the bottom up. At inference time, our RAPTOR model retrieves from this tree, integrating information across lengthy documents at different levels of abstraction. Controlled experiments show that retrieval with recursive summaries offers significant improvements over traditional retrieval-augmented LMs on several tasks. On question-answering tasks that involve complex, multi-step reasoning, we show state-of-the-art results; for example, by coupling RAPTOR retrieval with the use of GPT-4, we can improve the best performance on the QuALITY benchmark by 20% in absolute accuracy.

Researchers constantly strive to explore larger and more complex search spaces in various scientific studies and physical experiments. However, such investigations often involve sophisticated simulators or time-consuming experiments that make exploring and observing new design samples challenging. Previous works that target such applications are typically sample-inefficient and restricted to vector search spaces. To address these limitations, this work proposes a constrained multi-objective optimization (MOO) framework, called BREATHE, that searches not only traditional vector-based design spaces but also graph-based design spaces to obtain best-performing graphs. It leverages second-order gradients and actively trains a heteroscedastic surrogate model for sample-efficient optimization. In a single-objective vector optimization application, it leads to 64.1% higher performance than the next-best baseline, random forest regression. In graph-based search, BREATHE outperforms the next-best baseline, i.e., a graphical version of Gaussian-process-based Bayesian optimization, with up to 64.9% higher performance. In a MOO task, it achieves up to 21.9$\times$ higher hypervolume than the state-of-the-art method, multi-objective Bayesian optimization (MOBOpt). BREATHE also outperforms the baseline methods on most standard MOO benchmark applications.

Automated co-design of machine learning models and evaluation hardware is critical for efficiently deploying such models at scale. Despite the state-of-the-art performance of transformer models, they are not yet ready for execution on resource-constrained hardware platforms. High memory requirements and low parallelizability of the transformer architecture exacerbate this problem. Recently-proposed accelerators attempt to optimize the throughput and energy consumption of transformer models. However, such works are either limited to a one-sided search of the model architecture or a restricted set of off-the-shelf devices. Furthermore, previous works only accelerate model inference and not training, which incurs substantially higher memory and compute resources, making the problem even more challenging. To address these limitations, this work proposes a dynamic training framework, called DynaProp, that speeds up the training process and reduces memory consumption. DynaProp is a low-overhead pruning method that prunes activations and gradients at runtime. To effectively execute this method on hardware for a diverse set of transformer architectures, we propose ELECTOR, a framework that simulates transformer inference and training on a design space of accelerators. We use this simulator in conjunction with the proposed co-design technique, called TransCODE, to obtain the best-performing models with high accuracy on the given task and minimize latency, energy consumption, and chip area. The obtained transformer-accelerator pair achieves 0.3% higher accuracy than the state-of-the-art pair while incurring 5.2$\times$ lower latency and 3.0$\times$ lower energy consumption.

Automated design of efficient transformer models has recently attracted significant attention from industry and academia. However, most works only focus on certain metrics while searching for the best-performing transformer architecture. Furthermore, running traditional, complex, and large transformer models on low-compute edge platforms is a challenging problem. In this work, we propose a framework, called ProTran, to profile the hardware performance measures for a design space of transformer architectures and a diverse set of edge devices. We use this profiler in conjunction with the proposed co-design technique to obtain the best-performing models that have high accuracy on the given task and minimize latency, energy consumption, and peak power draw to enable edge deployment. We refer to our framework for co-optimizing accuracy and hardware performance measures as EdgeTran. It searches for the best transformer model and edge device pair. Finally, we propose GPTran, a multi-stage block-level grow-and-prune post-processing step that further improves accuracy in a hardware-aware manner. The obtained transformer model is 2.8$\times$ smaller and has a 0.8% higher GLUE score than the baseline (BERT-Base). Inference with it on the selected edge device enables 15.0% lower latency, 10.0$\times$ lower energy, and 10.8$\times$ lower peak power draw compared to an off-the-shelf GPU.