Fabrica: Dual-Arm Assembly of General Multi-Part Objects via Integrated Planning and Learning

Multi-part assembly poses significant challenges for robots to execute long-horizon, contact-rich manipulation with generalization across complex geometries. We present Fabrica, a dual-arm robotic system capable of end-to-end planning and control for autonomous assembly of general multi-part objects. For planning over long horizons, we develop hierarchies of precedence, sequence, grasp, and motion planning with automated fixture generation, enabling general multi-step assembly on any dual-arm robots. The planner is made efficient through a parallelizable design and is optimized for downstream control stability. For contact-rich assembly steps, we propose a lightweight reinforcement learning framework that trains generalist policies across object geometries, assembly directions, and grasp poses, guided by equivariance and residual actions obtained from the plan. These policies transfer zero-shot to the real world and achieve 80% successful steps. For systematic evaluation, we propose a benchmark suite of multi-part assemblies resembling industrial and daily objects across diverse categories and geometries. By integrating efficient global planning and robust local control, we showcase the first system to achieve complete and generalizable real-world multi-part assembly without domain knowledge or human demonstrations. Project website: http://fabrica.csail.mit.edu/

Foundation Molecular Grammar: Multi-Modal Foundation Models Induce Interpretable Molecular Graph Languages

Recent data-efficient molecular generation approaches exploit graph grammars to introduce interpretability into the generative models. However, grammar learning therein relies on expert annotation or unreliable heuristics for algorithmic inference. We propose Foundation Molecular Grammar (FMG), which leverages multi-modal foundation models (MMFMs) to induce an interpretable molecular language. By exploiting the chemical knowledge of an MMFM, FMG renders molecules as images, describes them as text, and aligns information across modalities using prompt learning. FMG can be used as a drop-in replacement for the prior grammar learning approaches in molecular generation and property prediction. We show that FMG not only excels in synthesizability, diversity, and data efficiency but also offers built-in chemical interpretability for automated molecular discovery workflows. Code is available at https://github.com/shiningsunnyday/induction.

Directed Graph Grammars for Sequence-based Learning

Directed acyclic graphs (DAGs) are a class of graphs commonly used in practice, with examples that include electronic circuits, Bayesian networks, and neural architectures. While many effective encoders exist for DAGs, it remains challenging to decode them in a principled manner, because the nodes of a DAG can have many different topological orders. In this work, we propose a grammar-based approach to constructing a principled, compact and equivalent sequential representation of a DAG. Specifically, we view a graph as derivations over an unambiguous grammar, where the DAG corresponds to a unique sequence of production rules. Equivalently, the procedure to construct such a description can be viewed as a lossless compression of the data. Such a representation has many uses, including building a generative model for graph generation, learning a latent space for property prediction, and leveraging the sequence representational continuity for Bayesian Optimization over structured data. Code is available at https://github.com/shiningsunnyday/induction.

FlashBias: Fast Computation of Attention with Bias

Attention mechanism has emerged as a foundation module of modern deep learning models and has also empowered many milestones in various domains. Moreover, FlashAttention with IO-aware speedup resolves the efficiency issue of standard attention, further promoting its practicality. Beyond canonical attention, attention with bias also widely exists, such as relative position bias in vision and language models and pair representation bias in AlphaFold. In these works, prior knowledge is introduced as an additive bias term of attention weights to guide the learning process, which has been proven essential for model performance. Surprisingly, despite the common usage of attention with bias, its targeted efficiency optimization is still absent, which seriously hinders its wide applications in complex tasks. Diving into the computation of FlashAttention, we prove that its optimal efficiency is determined by the rank of the attention weight matrix. Inspired by this theoretical result, this paper presents FlashBias based on the low-rank compressed sensing theory, which can provide fast-exact computation for many widely used attention biases and a fast-accurate approximation for biases in general formalization. FlashBias can fully take advantage of the extremely optimized matrix multiplication operation in modern GPUs, achieving 1.5$\times$ speedup for AlphaFold, and over 2$\times$ speedup for attention with bias in vision and language models without loss of accuracy.

AI-Enhanced Automatic Design of Efficient Underwater Gliders

The development of novel autonomous underwater gliders has been hindered by limited shape diversity, primarily due to the reliance on traditional design tools that depend heavily on manual trial and error. Building an automated design framework is challenging due to the complexities of representing glider shapes and the high computational costs associated with modeling complex solid-fluid interactions. In this work, we introduce an AI-enhanced automated computational framework designed to overcome these limitations by enabling the creation of underwater robots with non-trivial hull shapes. Our approach involves an algorithm that co-optimizes both shape and control signals, utilizing a reduced-order geometry representation and a differentiable neural-network-based fluid surrogate model. This end-to-end design workflow facilitates rapid iteration and evaluation of hydrodynamic performance, leading to the discovery of optimal and complex hull shapes across various control settings. We validate our method through wind tunnel experiments and swimming pool gliding tests, demonstrating that our computationally designed gliders surpass manually designed counterparts in terms of energy efficiency. By addressing challenges in efficient shape representation and neural fluid surrogate models, our work paves the way for the development of highly efficient underwater gliders, with implications for long-range ocean exploration and environmental monitoring.

Two-Stage Pretraining for Molecular Property Prediction in the Wild

Accurate property prediction is crucial for accelerating the discovery of new molecules. Although deep learning models have achieved remarkable success, their performance often relies on large amounts of labeled data that are expensive and time-consuming to obtain. Thus, there is a growing need for models that can perform well with limited experimentally-validated data. In this work, we introduce MoleVers, a versatile pretrained model designed for various types of molecular property prediction in the wild, i.e., where experimentally-validated molecular property labels are scarce. MoleVers adopts a two-stage pretraining strategy. In the first stage, the model learns molecular representations from large unlabeled datasets via masked atom prediction and dynamic denoising, a novel task enabled by a new branching encoder architecture. In the second stage, MoleVers is further pretrained using auxiliary labels obtained with inexpensive computational methods, enabling supervised learning without the need for costly experimental data. This two-stage framework allows MoleVers to learn representations that generalize effectively across various downstream datasets. We evaluate MoleVers on a new benchmark comprising 22 molecular datasets with diverse types of properties, the majority of which contain 50 or fewer training labels reflecting real-world conditions. MoleVers achieves state-of-the-art results on 20 out of the 22 datasets, and ranks second among the remaining two, highlighting its ability to bridge the gap between data-hungry models and real-world conditions where practically-useful labels are scarce.

Sensor2Text: Enabling Natural Language Interactions for Daily Activity Tracking Using Wearable Sensors

Visual Question-Answering, a technology that generates textual responses from an image and natural language question, has progressed significantly. Notably, it can aid in tracking and inquiring about daily activities, crucial in healthcare monitoring, especially for elderly patients or those with memory disabilities. However, video poses privacy concerns and has a limited field of view. This paper presents Sensor2Text, a model proficient in tracking daily activities and engaging in conversations using wearable sensors. The approach outlined here tackles several challenges, including low information density in wearable sensor data, insufficiency of single wearable sensors in human activities recognition, and model's limited capacity for Question-Answering and interactive conversations. To resolve these obstacles, transfer learning and student-teacher networks are utilized to leverage knowledge from visual-language models. Additionally, an encoder-decoder neural network model is devised to jointly process language and sensor data for conversational purposes. Furthermore, Large Language Models are also utilized to enable interactive capabilities. The model showcases the ability to identify human activities and engage in Q\&A dialogues using various wearable sensor modalities. It performs comparably to or better than existing visual-language models in both captioning and conversational tasks. To our knowledge, this represents the first model capable of conversing about wearable sensor data, offering an innovative approach to daily activity tracking that addresses privacy and field-of-view limitations associated with current vision-based solutions.

Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning

While large language models (LLMs) have integrated images, adapting them to graphs remains challenging, limiting their applications in materials and drug design. This difficulty stems from the need for coherent autoregressive generation across texts and graphs. To address this, we introduce Llamole, the first multimodal LLM capable of interleaved text and graph generation, enabling molecular inverse design with retrosynthetic planning. Llamole integrates a base LLM with the Graph Diffusion Transformer and Graph Neural Networks for multi-conditional molecular generation and reaction inference within texts, while the LLM, with enhanced molecular understanding, flexibly controls activation among the different graph modules. Additionally, Llamole integrates A* search with LLM-based cost functions for efficient retrosynthetic planning. We create benchmarking datasets and conduct extensive experiments to evaluate Llamole against in-context learning and supervised fine-tuning. Llamole significantly outperforms 14 adapted LLMs across 12 metrics for controllable molecular design and retrosynthetic planning.

Learning Object Properties Using Robot Proprioception via Differentiable Robot-Object Interaction

Differentiable simulation has become a powerful tool for system identification. While prior work has focused on identifying robot properties using robot-specific data or object properties using object-specific data, our approach calibrates object properties by using information from the robot, without relying on data from the object itself. Specifically, we utilize robot joint encoder information, which is commonly available in standard robotic systems. Our key observation is that by analyzing the robot's reactions to manipulated objects, we can infer properties of those objects, such as inertia and softness. Leveraging this insight, we develop differentiable simulations of robot-object interactions to inversely identify the properties of the manipulated objects. Our approach relies solely on proprioception -- the robot's internal sensing capabilities -- and does not require external measurement tools or vision-based tracking systems. This general method is applicable to any articulated robot and requires only joint position information. We demonstrate the effectiveness of our method on a low-cost robotic platform, achieving accurate mass and elastic modulus estimations of manipulated objects with just a few seconds of computation on a laptop.

KAN 2.0: Kolmogorov-Arnold Networks Meet Science

A major challenge of AI + Science lies in their inherent incompatibility: today's AI is primarily based on connectionism, while science depends on symbolism. To bridge the two worlds, we propose a framework to seamlessly synergize Kolmogorov-Arnold Networks (KANs) and science. The framework highlights KANs' usage for three aspects of scientific discovery: identifying relevant features, revealing modular structures, and discovering symbolic formulas. The synergy is bidirectional: science to KAN (incorporating scientific knowledge into KANs), and KAN to science (extracting scientific insights from KANs). We highlight major new functionalities in the pykan package: (1) MultKAN: KANs with multiplication nodes. (2) kanpiler: a KAN compiler that compiles symbolic formulas into KANs. (3) tree converter: convert KANs (or any neural networks) to tree graphs. Based on these tools, we demonstrate KANs' capability to discover various types of physical laws, including conserved quantities, Lagrangians, symmetries, and constitutive laws.