diff --git a/src/frontend/planner_test/tests/testdata/input/agg.yaml b/src/frontend/planner_test/tests/testdata/input/agg.yaml
index 99aa94ff773b..baa070aa9cd9 100644
--- a/src/frontend/planner_test/tests/testdata/input/agg.yaml
+++ b/src/frontend/planner_test/tests/testdata/input/agg.yaml
@@ -912,6 +912,12 @@
   expected_outputs:
   - batch_plan
   - stream_plan
+- sql: |
+    create table t (x int, y int);
+    select first_value(distinct x order by x asc) from t;
+  expected_outputs:
+  - batch_plan
+  - stream_plan
 - sql: |
     create table t (x int, y int);
     select last_value(x order by y desc nulls last) from t;
diff --git a/src/frontend/planner_test/tests/testdata/output/agg.yaml b/src/frontend/planner_test/tests/testdata/output/agg.yaml
index aefb4df98ef4..69f495acad71 100644
--- a/src/frontend/planner_test/tests/testdata/output/agg.yaml
+++ b/src/frontend/planner_test/tests/testdata/output/agg.yaml
@@ -1613,6 +1613,19 @@
       └─StreamSimpleAgg { aggs: [first_value(t.x order_by(t.y ASC)), count] }
         └─StreamExchange { dist: Single }
           └─StreamTableScan { table: t, columns: [t.x, t.y, t._row_id], pk: [t._row_id], dist: UpstreamHashShard(t._row_id) }
+- sql: |
+    create table t (x int, y int);
+    select first_value(distinct x order by x asc) from t;
+  batch_plan: |-
+    BatchSimpleAgg { aggs: [first_value(distinct t.x order_by(t.x ASC))] }
+    └─BatchExchange { order: [], dist: Single }
+      └─BatchScan { table: t, columns: [t.x], distribution: SomeShard }
+  stream_plan: |-
+    StreamMaterialize { columns: [first_value], stream_key: [], pk_columns: [], pk_conflict: NoCheck }
+    └─StreamProject { exprs: [first_value(distinct t.x order_by(t.x ASC))] }
+      └─StreamSimpleAgg { aggs: [first_value(distinct t.x order_by(t.x ASC)), count] }
+        └─StreamExchange { dist: Single }
+          └─StreamTableScan { table: t, columns: [t.x, t._row_id], pk: [t._row_id], dist: UpstreamHashShard(t._row_id) }
 - sql: |
     create table t (x int, y int);
     select last_value(x order by y desc nulls last) from t;
diff --git a/src/frontend/src/optimizer/plan_node/generic/agg.rs b/src/frontend/src/optimizer/plan_node/generic/agg.rs
index f83087d8ddbb..3de945bcf684 100644
--- a/src/frontend/src/optimizer/plan_node/generic/agg.rs
+++ b/src/frontend/src/optimizer/plan_node/generic/agg.rs
@@ -13,7 +13,7 @@
 // limitations under the License.
 
 use std::collections::{BTreeMap, BTreeSet, HashMap};
-use std::fmt;
+use std::{fmt, vec};
 
 use fixedbitset::FixedBitSet;
 use itertools::{Either, Itertools};
@@ -348,8 +348,8 @@ impl<PlanRef: stream::StreamPlanRef> Agg<PlanRef> {
         let in_dist_key = self.input.distribution().dist_column_indices().to_vec();
 
         let gen_materialized_input_state = |sort_keys: Vec<(OrderType, usize)>,
-                                            include_keys: Vec<usize>,
-                                            distinct_key: Option<usize>|
+                                            extra_keys: Vec<usize>,
+                                            include_keys: Vec<usize>|
          -> MaterializedInputState {
             let (mut table_builder, mut included_upstream_indices, mut column_mapping) =
                 self.create_table_builder(me.ctx(), window_col_idx);
@@ -376,17 +376,8 @@ impl<PlanRef: stream::StreamPlanRef> Agg<PlanRef> {
             for (order_type, idx) in sort_keys {
                 add_column(idx, Some(order_type), true, &mut table_builder);
             }
-            if let Some(distinct_key) = distinct_key {
-                add_column(
-                    distinct_key,
-                    Some(OrderType::ascending()),
-                    true,
-                    &mut table_builder,
-                );
-            } else {
-                for &idx in &in_pks {
-                    add_column(idx, Some(OrderType::ascending()), true, &mut table_builder);
-                }
+            for idx in extra_keys {
+                add_column(idx, Some(OrderType::ascending()), true, &mut table_builder);
             }
             for idx in include_keys {
                 add_column(idx, None, true, &mut table_builder);
@@ -468,6 +459,17 @@ impl<PlanRef: stream::StreamPlanRef> Agg<PlanRef> {
                             _ => unreachable!(),
                         }
                     };
+
+                    // columns to ensure each row unique
+                    let extra_keys = if agg_call.distinct {
+                        // if distinct, use distinct keys as extra keys
+                        let distinct_key = agg_call.inputs[0].index;
+                        vec![distinct_key]
+                    } else {
+                        // if not distinct, use primary keys as extra keys
+                        in_pks.clone()
+                    };
+
                     // other columns that should be contained in state table
                     let include_keys = match agg_call.agg_kind {
                         AggKind::FirstValue
@@ -480,12 +482,8 @@ impl<PlanRef: stream::StreamPlanRef> Agg<PlanRef> {
                         }
                         _ => vec![],
                     };
-                    let state = if agg_call.distinct {
-                        let distinct_key = agg_call.inputs[0].index;
-                        gen_materialized_input_state(sort_keys, include_keys, Some(distinct_key))
-                    } else {
-                        gen_materialized_input_state(sort_keys, include_keys, None)
-                    };
+
+                    let state = gen_materialized_input_state(sort_keys, extra_keys, include_keys);
                     AggCallState::MaterializedInput(Box::new(state))
                 }
                 agg_kinds::rewritten!() => {
diff --git a/src/stream/src/executor/aggregation/minput.rs b/src/stream/src/executor/aggregation/minput.rs
index 79ce53140359..5060ed8a1da0 100644
--- a/src/stream/src/executor/aggregation/minput.rs
+++ b/src/stream/src/executor/aggregation/minput.rs
@@ -103,11 +103,15 @@ impl MaterializedInputState {
             };
 
         if agg_call.distinct {
+            // If distinct, we need to materialize input with the distinct keys
+            // As we only support single-column distinct for now, we use the
+            // `agg_call.args.val_indices()[0]` as the distinct key.
             if !order_col_indices.contains(&agg_call.args.val_indices()[0]) {
                 order_col_indices.push(agg_call.args.val_indices()[0]);
                 order_types.push(OrderType::ascending());
             }
         } else {
+            // If not distinct, we need to materialize input with the primary keys
             let pk_len = pk_indices.len();
             order_col_indices.extend(pk_indices.iter());
             order_types.extend(itertools::repeat_n(OrderType::ascending(), pk_len));