Mohammad Saqib Hasan

Dikshya Mohanty, Mohammad Saqib Hasan, Syed Mostofa Monsur et al.

Research in AI4Science has shown promise in many science applications, including polymer design. However, current LLMs prove ineffective on this problem space because: (i) most models lack polymer-specific knowledge (ii) existing aligned models lack coverage of knowledge and capabilities relevant to polymer design. Addressing this, we introduce PolyBench, a large scale training and test benchmark dataset of more than 125K polymer design related tasks, leveraging a knowledge base of 13M+ data points obtained from experimental and synthetic sources to ensure broad coverage of polymers and their properties. For effective alignment using PolyBench, we introduce a knowledge-augmented reasoning distillation method that augments this dataset with structured CoT. Furthermore, tasks in PolyBench are organized from simple to complex analytical reasoning problems, enabling generalization tests and diagnostic probes across the problem space. Experiments show that small language models (SLMs), of 7B to 14B parameters, trained on PolyBench data outperform similar sized models, and even closed source frontier LLMs on PolyBench test dataset while demonstrating gains on other polymer benchmarks as well.

Priscilla Kyei Danso, Mohammad Saqib Hasan, Niranjan Balasubramanian et al.

Propositional Linear Temporal Logic (LTL) is a popular formalism for specifying desirable requirements and security and privacy policies for software, networks, and systems. Yet expressing such requirements and policies in LTL remains challenging because of its intricate semantics. Since many security and privacy analysis tools require LTL formulas as input, this difficulty places them out of reach for many developers and analysts. Large Language Models (LLMs) could broaden access to such tools by translating natural language fragments into LTL formulas. This paper evaluates that premise by assessing how effectively several representative LLMs translate assertive English sentences into LTL formulas. Using both human-generated and synthetic ground-truth data, we evaluate effectiveness along syntactic and semantic dimensions. The results reveal three findings: (1) in line with prior findings, LLMs perform better on syntactic aspects of LTL than on semantic ones; (2) they generally benefit from more detailed prompts; and (3) reformulating the task as a Python code-completion problem substantially improves overall performance. We also discuss challenges in conducting a fair evaluation on this task and conclude with recommendations for future work.

Biddut Sarker Bijoy, Mohammad Saqib Hasan, Pegah Alipoormolabashi et al.

Multi-agent systems with smaller language models (SLMs) present a viable alternative to single agent systems powered by large language models (LLMs) for addressing complex problems. In this work, we study how these alternatives compare in terms of both effectiveness and efficiency. To study this trade-off, we instantiate single and multi-agent systems for the complex problems in the AppWorld environment using different sized language models. We find that difficulties with long-trajectory learning in smaller language models (SLMs) limit their performance. Even when trained for specialized roles, SLMs fail to learn all subtasks effectively. To address this issue, we introduce a simple progressive sub-task training strategy, which introduces new sub-tasks progressively in each training epoch. We find that this novel strategy, analogous to instance level curriculum learning, consistently improves the effectiveness of multi-agents at all configurations. Our Pareto analysis shows that fine-tuned multi-agent systems yield better effectiveness-efficiency trade-offs. Additional ablations and analyses shows the importance of our progressive training strategy and its ability to reduce subtask error rates.

Yash Kumar Lal, Manikanta Bandham, Mohammad Saqib Hasan et al.

Assessing scientific claims requires identifying, extracting, and reasoning with multimodal data expressed in information-rich figures in scientific literature. Despite the large body of work in scientific QA, figure captioning, and other multimodal reasoning tasks over chart-based data, there are no readily usable multimodal benchmarks that directly test claim verification abilities. To remedy this gap, we introduce a new benchmark MuSciClaims accompanied by diagnostics tasks. We automatically extract supported claims from scientific articles, which we manually perturb to produce contradicted claims. The perturbations are designed to test for a specific set of claim verification capabilities. We also introduce a suite of diagnostic tasks that help understand model failures. Our results show most vision-language models are poor (~0.3-0.5 F1), with even the best model only achieving 0.72 F1. They are also biased towards judging claims as supported, likely misunderstanding nuanced perturbations within the claims. Our diagnostics show models are bad at localizing correct evidence within figures, struggle with aggregating information across modalities, and often fail to understand basic components of the figure.

Sagar Sapkota, Mohammad Saqib Hasan, Mubarak Shah et al.

Multi-party Conversational Agents (MPCAs) are systems designed to engage in dialogue with more than two participants simultaneously. Unlike traditional two-party agents, designing MPCAs faces additional challenges due to the need to interpret both utterance semantics and social dynamics. This survey explores recent progress in MPCAs by addressing three key questions: 1) Can agents model each participants' mental states? (State of Mind Modeling); 2) Can they properly understand the dialogue content? (Semantic Understanding); and 3) Can they reason about and predict future conversation flow? (Agent Action Modeling). We review methods ranging from classical machine learning to Large Language Models (LLMs) and multi-modal systems. Our analysis underscores Theory of Mind (ToM) as essential for building intelligent MPCAs and highlights multi-modal understanding as a promising yet underexplored direction. Finally, this survey offers guidance to future researchers on developing more capable MPCAs.

Sayontan Ghosh, Mahnaz Koupaee, Yash Kumar Lal et al.

Understanding multiparty conversations demands robust Theory of Mind (ToM) capabilities, including the ability to track dynamic information, manage knowledge asymmetries, and distinguish relevant information across extended exchanges. To advance ToM evaluation in such settings, we present a carefully designed scalable methodology for generating high-quality benchmark conversation-question pairs with these characteristics. Using this methodology, we create $\texttt{DIAMONDs}$, a new conversational QA dataset covering common business, financial or other group interactions. In these goal-oriented conversations, participants often have to track certain numerical quantities (say $\textit{expected profit}$) of interest that can be derived from other variable quantities (like $\textit{marketing expenses, expected sales, salary}$, etc.), whose values also change over the course of the conversation. $\texttt{DIAMONDs}$ questions pose simple numerical reasoning problems over such quantities of interest (e.g., $\textit{funds required for charity events, expected company profit next quarter}$, etc.) in the context of the information exchanged in conversations. This allows for precisely evaluating ToM capabilities for carefully tracking and reasoning over participants' knowledge states. Our evaluation of state-of-the-art language models reveals significant challenges in handling participant-centric reasoning, specifically in situations where participants have false beliefs. Models also struggle with conversations containing distractors and show limited ability to identify scenarios with insufficient information. These findings highlight current models' ToM limitations in handling real-world multi-party conversations.