Data-driven Discovery with Large Generative Models

With the accumulation of data at an unprecedented rate, its potential to fuel scientific discovery is growing exponentially. This position paper urges the Machine Learning (ML) community to exploit the capabilities of large generative models (LGMs) to develop automated systems for end-to-end data-driven discovery -- a paradigm encompassing the search and verification of hypotheses purely from a set of provided datasets, without the need for additional data collection or physical experiments. We first outline several desiderata for an ideal data-driven discovery system. Then, through DATAVOYAGER, a proof-of-concept utilizing GPT-4, we demonstrate how LGMs fulfill several of these desiderata -- a feat previously unattainable -- while also highlighting important limitations in the current system that open up opportunities for novel ML research. We contend that achieving accurate, reliable, and robust end-to-end discovery systems solely through the current capabilities of LGMs is challenging. We instead advocate for fail-proof tool integration, along with active user moderation through feedback mechanisms, to foster data-driven scientific discoveries with efficiency and reproducibility.

Bring Your Own KG: Self-Supervised Program Synthesis for Zero-Shot KGQA

We present BYOKG, a universal question-answering (QA) system that can operate on any knowledge graph (KG), requires no human-annotated training data, and can be ready to use within a day -- attributes that are out-of-scope for current KGQA systems. BYOKG draws inspiration from the remarkable ability of humans to comprehend information present in an unseen KG through exploration -- starting at random nodes, inspecting the labels of adjacent nodes and edges, and combining them with their prior world knowledge. In BYOKG, exploration leverages an LLM-backed symbolic agent that generates a diverse set of query-program exemplars, which are then used to ground a retrieval-augmented reasoning procedure to predict programs for arbitrary questions. BYOKG is effective over both small- and large-scale graphs, showing dramatic gains in QA accuracy over a zero-shot baseline of 27.89 and 58.02 F1 on GrailQA and MetaQA, respectively. On GrailQA, we further show that our unsupervised BYOKG outperforms a supervised in-context learning method, demonstrating the effectiveness of exploration. Lastly, we find that performance of BYOKG reliably improves with continued exploration as well as improvements in the base LLM, notably outperforming a state-of-the-art fine-tuned model by 7.08 F1 on a sub-sampled zero-shot split of GrailQA.

Machine Reading Comprehension using Case-based Reasoning

We present an accurate and interpretable method for answer extraction in machine reading comprehension that is reminiscent of case-based reasoning (CBR) from classical AI. Our method (CBR-MRC) builds on the hypothesis that contextualized answers to similar questions share semantic similarities with each other. Given a target question, CBR-MRC retrieves a set of similar questions from a memory of observed cases and predicts an answer by selecting the span in the target context that is most similar to the contextualized representations of answers in the retrieved cases. The semi-parametric nature of our approach allows CBR-MRC to attribute a prediction to the specific set of cases used during inference, making it a desirable choice for building reliable and debuggable QA systems. We show that CBR-MRC achieves high test accuracy comparable with large reader models, outperforming baselines by 11.5 and 8.4 EM on NaturalQuestions and NewsQA, respectively. Further, we also demonstrate the ability of CBR-MRC in identifying not just the correct answer tokens but also the span with the most relevant supporting evidence. Lastly, we observe that contexts for certain question types show higher lexical diversity than others and find CBR-MRC to be robust to these variations while performance using fully-parametric methods drops.

Multimodal Personality Recognition using Cross-Attention Transformer and Behaviour Encoding

Personality computing and affective computing have gained recent interest in many research areas. The datasets for the task generally have multiple modalities like video, audio, language and bio-signals. In this paper, we propose a flexible model for the task which exploits all available data. The task involves complex relations and to avoid using a large model for video processing specifically, we propose the use of behaviour encoding which boosts performance with minimal change to the model. Cross-attention using transformers has become popular in recent times and is utilised for fusion of different modalities. Since long term relations may exist, breaking the input into chunks is not desirable, thus the proposed model processes the entire input together. Our experiments show the importance of each of the above contributions

From Multimodal to Unimodal Attention in Transformers using Knowledge Distillation

Multimodal Deep Learning has garnered much interest, and transformers have triggered novel approaches, thanks to the cross-attention mechanism. Here we propose an approach to deal with two key existing challenges: the high computational resource demanded and the issue of missing modalities. We introduce for the first time the concept of knowledge distillation in transformers to use only one modality at inference time. We report a full study analyzing multiple student-teacher configurations, levels at which distillation is applied, and different methodologies. With the best configuration, we improved the state-of-the-art accuracy by 3%, we reduced the number of parameters by 2.5 times and the inference time by 22%. Such performance-computation tradeoff can be exploited in many applications and we aim at opening a new research area where the deployment of complex models with limited resources is demanded.

Entity Linking and Discovery via Arborescence-based Supervised Clustering

Previous work has shown promising results in performing entity linking by measuring not only the affinities between mentions and entities but also those amongst mentions. In this paper, we present novel training and inference procedures that fully utilize mention-to-mention affinities by building minimum arborescences (i.e., directed spanning trees) over mentions and entities across documents in order to make linking decisions. We also show that this method gracefully extends to entity discovery, enabling the clustering of mentions that do not have an associated entity in the knowledge base. We evaluate our approach on the Zero-Shot Entity Linking dataset and MedMentions, the largest publicly available biomedical dataset, and show significant improvements in performance for both entity linking and discovery compared to identically parameterized models. We further show significant efficiency improvements with only a small loss in accuracy over previous work, which use more computationally expensive models.

Solving Physics Puzzles by Reasoning about Paths

We propose a new deep learning model for goal-driven tasks that require intuitive physical reasoning and intervention in the scene to achieve a desired end goal. Its modular structure is motivated by hypothesizing a sequence of intuitive steps that humans apply when trying to solve such a task. The model first predicts the path the target object would follow without intervention and the path the target object should follow in order to solve the task. Next, it predicts the desired path of the action object and generates the placement of the action object. All components of the model are trained jointly in a supervised way; each component receives its own learning signal but learning signals are also backpropagated through the entire architecture. To evaluate the model we use PHYRE - a benchmark test for goal-driven physical reasoning in 2D mechanics puzzles.